################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52197 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shifts observed in the outward-open conformation of Bj-SemiSWEET' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 NCACX . . . 52197 1 2 NCOCX . . . 52197 1 3 CONCA . . . 52197 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52197 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 PRO C C 13 178.695 0.3 . 1 . . . . . 3 PRO C . 52197 1 2 . 1 . 1 3 3 PRO CA C 13 64.774 0.3 . 1 . . . . . 3 PRO CA . 52197 1 3 . 1 . 1 3 3 PRO CB C 13 32.207 0.3 . 1 . . . . . 3 PRO CB . 52197 1 4 . 1 . 1 3 3 PRO CG C 13 27.387 0.3 . 1 . . . . . 3 PRO CG . 52197 1 5 . 1 . 1 3 3 PRO CD C 13 51.286 0.3 . 1 . . . . . 3 PRO CD . 52197 1 6 . 1 . 1 3 3 PRO N N 15 139.025 0.3 . 1 . . . . . 3 PRO N . 52197 1 7 . 1 . 1 4 4 PHE C C 13 180.023 0.3 . 1 . . . . . 4 PHE C . 52197 1 8 . 1 . 1 4 4 PHE CA C 13 60.565 0.3 . 1 . . . . . 4 PHE CA . 52197 1 9 . 1 . 1 4 4 PHE CB C 13 38.164 0.3 . 1 . . . . . 4 PHE CB . 52197 1 10 . 1 . 1 4 4 PHE N N 15 119.835 0.3 . 1 . . . . . 4 PHE N . 52197 1 11 . 1 . 1 5 5 LEU C C 13 178.28 0.3 . 1 . . . . . 5 LEU C . 52197 1 12 . 1 . 1 5 5 LEU CA C 13 57.094 0.3 . 1 . . . . . 5 LEU CA . 52197 1 13 . 1 . 1 5 5 LEU CB C 13 42.253 0.3 . 1 . . . . . 5 LEU CB . 52197 1 14 . 1 . 1 5 5 LEU N N 15 118.178 0.3 . 1 . . . . . 5 LEU N . 52197 1 15 . 1 . 1 6 6 ILE C C 13 177.636 0.3 . 1 . . . . . 6 ILE C . 52197 1 16 . 1 . 1 6 6 ILE CA C 13 66.211 0.3 . 1 . . . . . 6 ILE CA . 52197 1 17 . 1 . 1 6 6 ILE CB C 13 38.145 0.3 . 1 . . . . . 6 ILE CB . 52197 1 18 . 1 . 1 6 6 ILE CG1 C 13 29.318 0.3 . 1 . . . . . 6 ILE CG1 . 52197 1 19 . 1 . 1 6 6 ILE N N 15 116.771 0.3 . 1 . . . . . 6 ILE N . 52197 1 20 . 1 . 1 7 7 LYS C C 13 177.651 0.3 . 1 . . . . . 7 LYS C . 52197 1 21 . 1 . 1 7 7 LYS CA C 13 58.44 0.3 . 1 . . . . . 7 LYS CA . 52197 1 22 . 1 . 1 7 7 LYS CB C 13 31.595 0.3 . 1 . . . . . 7 LYS CB . 52197 1 23 . 1 . 1 7 7 LYS N N 15 119.976 0.3 . 1 . . . . . 7 LYS N . 52197 1 24 . 1 . 1 8 8 LEU C C 13 178.711 0.3 . 1 . . . . . 8 LEU C . 52197 1 25 . 1 . 1 8 8 LEU CA C 13 58.412 0.3 . 1 . . . . . 8 LEU CA . 52197 1 26 . 1 . 1 8 8 LEU CB C 13 41.374 0.3 . 1 . . . . . 8 LEU CB . 52197 1 27 . 1 . 1 8 8 LEU CG C 13 27.759 0.3 . 1 . . . . . 8 LEU CG . 52197 1 28 . 1 . 1 8 8 LEU N N 15 121.407 0.3 . 1 . . . . . 8 LEU N . 52197 1 29 . 1 . 1 9 9 ILE C C 13 177.411 0.3 . 1 . . . . . 9 ILE C . 52197 1 30 . 1 . 1 9 9 ILE CA C 13 66.154 0.3 . 1 . . . . . 9 ILE CA . 52197 1 31 . 1 . 1 9 9 ILE CB C 13 37.624 0.3 . 1 . . . . . 9 ILE CB . 52197 1 32 . 1 . 1 9 9 ILE CG1 C 13 27.429 0.3 . 1 . . . . . 9 ILE CG1 . 52197 1 33 . 1 . 1 9 9 ILE CG2 C 13 18.186 0.3 . 1 . . . . . 9 ILE CG2 . 52197 1 34 . 1 . 1 9 9 ILE CD1 C 13 14.38 0.3 . 1 . . . . . 9 ILE CD1 . 52197 1 35 . 1 . 1 9 9 ILE N N 15 119.508 0.3 . 1 . . . . . 9 ILE N . 52197 1 36 . 1 . 1 10 10 GLY C C 13 175.251 0.3 . 1 . . . . . 10 GLY C . 52197 1 37 . 1 . 1 10 10 GLY CA C 13 46.476 0.3 . 1 . . . . . 10 GLY CA . 52197 1 38 . 1 . 1 10 10 GLY N N 15 106.723 0.3 . 1 . . . . . 10 GLY N . 52197 1 39 . 1 . 1 11 11 PHE C C 13 176.465 0.3 . 1 . . . . . 11 PHE C . 52197 1 40 . 1 . 1 11 11 PHE CA C 13 58.067 0.3 . 1 . . . . . 11 PHE CA . 52197 1 41 . 1 . 1 11 11 PHE CB C 13 38.714 0.3 . 1 . . . . . 11 PHE CB . 52197 1 42 . 1 . 1 11 11 PHE N N 15 122.05 0.3 . 1 . . . . . 11 PHE N . 52197 1 43 . 1 . 1 12 12 ALA C C 13 178.501 0.3 . 1 . . . . . 12 ALA C . 52197 1 44 . 1 . 1 12 12 ALA CA C 13 55.515 0.3 . 1 . . . . . 12 ALA CA . 52197 1 45 . 1 . 1 12 12 ALA CB C 13 18.454 0.3 . 1 . . . . . 12 ALA CB . 52197 1 46 . 1 . 1 12 12 ALA N N 15 123.112 0.3 . 1 . . . . . 12 ALA N . 52197 1 47 . 1 . 1 13 13 ALA C C 13 178.396 0.3 . 1 . . . . . 13 ALA C . 52197 1 48 . 1 . 1 13 13 ALA CA C 13 55.477 0.3 . 1 . . . . . 13 ALA CA . 52197 1 49 . 1 . 1 13 13 ALA CB C 13 15.123 0.3 . 1 . . . . . 13 ALA CB . 52197 1 50 . 1 . 1 13 13 ALA N N 15 123.236 0.3 . 1 . . . . . 13 ALA N . 52197 1 51 . 1 . 1 14 14 ALA C C 13 180.435 0.3 . 1 . . . . . 14 ALA C . 52197 1 52 . 1 . 1 14 14 ALA CA C 13 53.8 0.3 . 1 . . . . . 14 ALA CA . 52197 1 53 . 1 . 1 14 14 ALA CB C 13 18.933 0.3 . 1 . . . . . 14 ALA CB . 52197 1 54 . 1 . 1 14 14 ALA N N 15 116.987 0.3 . 1 . . . . . 14 ALA N . 52197 1 55 . 1 . 1 15 15 THR C C 13 176.495 0.3 . 1 . . . . . 15 THR C . 52197 1 56 . 1 . 1 15 15 THR CA C 13 68.087 0.3 . 1 . . . . . 15 THR CA . 52197 1 57 . 1 . 1 15 15 THR CB C 13 65.31 0.3 . 1 . . . . . 15 THR CB . 52197 1 58 . 1 . 1 15 15 THR CG2 C 13 19.138 0.3 . 1 . . . . . 15 THR CG2 . 52197 1 59 . 1 . 1 15 15 THR N N 15 116.066 0.3 . 1 . . . . . 15 THR N . 52197 1 60 . 1 . 1 16 16 CYS C C 13 176.512 0.3 . 1 . . . . . 16 CYS C . 52197 1 61 . 1 . 1 16 16 CYS CA C 13 65.362 0.3 . 1 . . . . . 16 CYS CA . 52197 1 62 . 1 . 1 16 16 CYS CB C 13 27.533 0.3 . 1 . . . . . 16 CYS CB . 52197 1 63 . 1 . 1 16 16 CYS N N 15 118.566 0.3 . 1 . . . . . 16 CYS N . 52197 1 64 . 1 . 1 17 17 THR C C 13 176.581 0.3 . 1 . . . . . 17 THR C . 52197 1 65 . 1 . 1 17 17 THR CA C 13 65.756 0.3 . 1 . . . . . 17 THR CA . 52197 1 66 . 1 . 1 17 17 THR CB C 13 68.099 0.3 . 1 . . . . . 17 THR CB . 52197 1 67 . 1 . 1 17 17 THR CG2 C 13 21.656 0.3 . 1 . . . . . 17 THR CG2 . 52197 1 68 . 1 . 1 17 17 THR N N 15 107.247 0.3 . 1 . . . . . 17 THR N . 52197 1 69 . 1 . 1 18 18 THR C C 13 174.731 0.3 . 1 . . . . . 18 THR C . 52197 1 70 . 1 . 1 18 18 THR CA C 13 65.258 0.3 . 1 . . . . . 18 THR CA . 52197 1 71 . 1 . 1 18 18 THR CB C 13 67.938 0.3 . 1 . . . . . 18 THR CB . 52197 1 72 . 1 . 1 18 18 THR CG2 C 13 22.218 0.3 . 1 . . . . . 18 THR CG2 . 52197 1 73 . 1 . 1 18 18 THR N N 15 107.555 0.3 . 1 . . . . . 18 THR N . 52197 1 74 . 1 . 1 19 19 VAL C C 13 177.984 0.3 . 1 . . . . . 19 VAL C . 52197 1 75 . 1 . 1 19 19 VAL CA C 13 65.547 0.3 . 1 . . . . . 19 VAL CA . 52197 1 76 . 1 . 1 19 19 VAL CB C 13 31.412 0.3 . 1 . . . . . 19 VAL CB . 52197 1 77 . 1 . 1 19 19 VAL CG1 C 13 22.775 0.3 . 2 . . . . . 19 VAL CG1 . 52197 1 78 . 1 . 1 19 19 VAL CG2 C 13 21.552 0.3 . 2 . . . . . 19 VAL CG2 . 52197 1 79 . 1 . 1 19 19 VAL N N 15 116.434 0.3 . 1 . . . . . 19 VAL N . 52197 1 80 . 1 . 1 20 20 ALA C C 13 177.48 0.3 . 1 . . . . . 20 ALA C . 52197 1 81 . 1 . 1 20 20 ALA CA C 13 55.369 0.3 . 1 . . . . . 20 ALA CA . 52197 1 82 . 1 . 1 20 20 ALA CB C 13 18.221 0.3 . 1 . . . . . 20 ALA CB . 52197 1 83 . 1 . 1 20 20 ALA N N 15 121.963 0.3 . 1 . . . . . 20 ALA N . 52197 1 84 . 1 . 1 21 21 TYR C C 13 179.641 0.3 . 1 . . . . . 21 TYR C . 52197 1 85 . 1 . 1 21 21 TYR CA C 13 61.116 0.3 . 1 . . . . . 21 TYR CA . 52197 1 86 . 1 . 1 21 21 TYR CB C 13 41.015 0.3 . 1 . . . . . 21 TYR CB . 52197 1 87 . 1 . 1 21 21 TYR N N 15 107.676 0.3 . 1 . . . . . 21 TYR N . 52197 1 88 . 1 . 1 22 22 ALA C C 13 176.27 0.3 . 1 . . . . . 22 ALA C . 52197 1 89 . 1 . 1 22 22 ALA CA C 13 56.921 0.3 . 1 . . . . . 22 ALA CA . 52197 1 90 . 1 . 1 22 22 ALA CB C 13 15.876 0.3 . 1 . . . . . 22 ALA CB . 52197 1 91 . 1 . 1 22 22 ALA N N 15 121.926 0.3 . 1 . . . . . 22 ALA N . 52197 1 92 . 1 . 1 23 23 PRO C C 13 178.535 0.3 . 1 . . . . . 23 PRO C . 52197 1 93 . 1 . 1 23 23 PRO CA C 13 65.395 0.3 . 1 . . . . . 23 PRO CA . 52197 1 94 . 1 . 1 23 23 PRO CB C 13 31.32 0.3 . 1 . . . . . 23 PRO CB . 52197 1 95 . 1 . 1 23 23 PRO CG C 13 28.179 0.3 . 1 . . . . . 23 PRO CG . 52197 1 96 . 1 . 1 23 23 PRO CD C 13 49.514 0.3 . 1 . . . . . 23 PRO CD . 52197 1 97 . 1 . 1 23 23 PRO N N 15 132.557 0.3 . 1 . . . . . 23 PRO N . 52197 1 98 . 1 . 1 24 24 GLN C C 13 177.288 0.3 . 1 . . . . . 24 GLN C . 52197 1 99 . 1 . 1 24 24 GLN CA C 13 57.845 0.3 . 1 . . . . . 24 GLN CA . 52197 1 100 . 1 . 1 24 24 GLN CB C 13 31.469 0.3 . 1 . . . . . 24 GLN CB . 52197 1 101 . 1 . 1 24 24 GLN CG C 13 34.175 0.3 . 1 . . . . . 24 GLN CG . 52197 1 102 . 1 . 1 24 24 GLN CD C 13 178.65 0.3 . 1 . . . . . 24 GLN CD . 52197 1 103 . 1 . 1 24 24 GLN N N 15 115.299 0.3 . 1 . . . . . 24 GLN N . 52197 1 104 . 1 . 1 25 25 PHE C C 13 176.422 0.3 . 1 . . . . . 25 PHE C . 52197 1 105 . 1 . 1 25 25 PHE CA C 13 60.576 0.3 . 1 . . . . . 25 PHE CA . 52197 1 106 . 1 . 1 25 25 PHE CB C 13 39.697 0.3 . 1 . . . . . 25 PHE CB . 52197 1 107 . 1 . 1 25 25 PHE N N 15 122.919 0.3 . 1 . . . . . 25 PHE N . 52197 1 108 . 1 . 1 26 26 ILE C C 13 178.035 0.3 . 1 . . . . . 26 ILE C . 52197 1 109 . 1 . 1 26 26 ILE CA C 13 65.193 0.3 . 1 . . . . . 26 ILE CA . 52197 1 110 . 1 . 1 26 26 ILE CB C 13 38.285 0.3 . 1 . . . . . 26 ILE CB . 52197 1 111 . 1 . 1 26 26 ILE CG1 C 13 31.622 0.3 . 1 . . . . . 26 ILE CG1 . 52197 1 112 . 1 . 1 26 26 ILE CG2 C 13 17.748 0.3 . 1 . . . . . 26 ILE CG2 . 52197 1 113 . 1 . 1 26 26 ILE CD1 C 13 13.469 0.3 . 1 . . . . . 26 ILE CD1 . 52197 1 114 . 1 . 1 26 26 ILE N N 15 116.972 0.3 . 1 . . . . . 26 ILE N . 52197 1 115 . 1 . 1 27 27 LYS C C 13 178.035 0.3 . 1 . . . . . 27 LYS C . 52197 1 116 . 1 . 1 27 27 LYS CA C 13 58.049 0.3 . 1 . . . . . 27 LYS CA . 52197 1 117 . 1 . 1 27 27 LYS CB C 13 31.296 0.3 . 1 . . . . . 27 LYS CB . 52197 1 118 . 1 . 1 27 27 LYS CE C 13 41.414 0.3 . 1 . . . . . 27 LYS CE . 52197 1 119 . 1 . 1 27 27 LYS N N 15 118.268 0.3 . 1 . . . . . 27 LYS N . 52197 1 120 . 1 . 1 27 27 LYS NZ N 15 32.977 0.3 . 1 . . . . . 27 LYS NZ . 52197 1 121 . 1 . 1 28 28 VAL C C 13 178.078 0.3 . 1 . . . . . 28 VAL C . 52197 1 122 . 1 . 1 28 28 VAL CA C 13 67.057 0.3 . 1 . . . . . 28 VAL CA . 52197 1 123 . 1 . 1 28 28 VAL CB C 13 31.331 0.3 . 1 . . . . . 28 VAL CB . 52197 1 124 . 1 . 1 28 28 VAL CG1 C 13 22.963 0.3 . 2 . . . . . 28 VAL CG1 . 52197 1 125 . 1 . 1 28 28 VAL CG2 C 13 21.535 0.3 . 2 . . . . . 28 VAL CG2 . 52197 1 126 . 1 . 1 28 28 VAL N N 15 117.049 0.3 . 1 . . . . . 28 VAL N . 52197 1 127 . 1 . 1 29 29 LEU C C 13 175.296 0.3 . 1 . . . . . 29 LEU C . 52197 1 128 . 1 . 1 29 29 LEU CA C 13 58.015 0.3 . 1 . . . . . 29 LEU CA . 52197 1 129 . 1 . 1 29 29 LEU CB C 13 42.127 0.3 . 1 . . . . . 29 LEU CB . 52197 1 130 . 1 . 1 29 29 LEU CG C 13 26.824 0.3 . 1 . . . . . 29 LEU CG . 52197 1 131 . 1 . 1 29 29 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 29 LEU CD1 . 52197 1 132 . 1 . 1 29 29 LEU N N 15 122.196 0.3 . 1 . . . . . 29 LEU N . 52197 1 133 . 1 . 1 30 30 LYS C C 13 178.791 0.3 . 1 . . . . . 30 LYS C . 52197 1 134 . 1 . 1 30 30 LYS CA C 13 57.945 0.3 . 1 . . . . . 30 LYS CA . 52197 1 135 . 1 . 1 30 30 LYS CB C 13 27.119 0.3 . 1 . . . . . 30 LYS CB . 52197 1 136 . 1 . 1 30 30 LYS CG C 13 24.111 0.3 . 1 . . . . . 30 LYS CG . 52197 1 137 . 1 . 1 30 30 LYS CD C 13 26.279 0.3 . 1 . . . . . 30 LYS CD . 52197 1 138 . 1 . 1 30 30 LYS CE C 13 41.912 0.3 . 1 . . . . . 30 LYS CE . 52197 1 139 . 1 . 1 30 30 LYS N N 15 132.833 0.3 . 1 . . . . . 30 LYS N . 52197 1 140 . 1 . 1 30 30 LYS NZ N 15 33.042 0.3 . 1 . . . . . 30 LYS NZ . 52197 1 141 . 1 . 1 31 31 THR C C 13 175.603 0.3 . 1 . . . . . 31 THR C . 52197 1 142 . 1 . 1 31 31 THR CA C 13 62.054 0.3 . 1 . . . . . 31 THR CA . 52197 1 143 . 1 . 1 31 31 THR CB C 13 70.461 0.3 . 1 . . . . . 31 THR CB . 52197 1 144 . 1 . 1 31 31 THR CG2 C 13 21.742 0.3 . 1 . . . . . 31 THR CG2 . 52197 1 145 . 1 . 1 31 31 THR N N 15 106.148 0.3 . 1 . . . . . 31 THR N . 52197 1 146 . 1 . 1 32 32 ARG C C 13 174.504 0.3 . 1 . . . . . 32 ARG C . 52197 1 147 . 1 . 1 32 32 ARG CA C 13 55.956 0.3 . 1 . . . . . 32 ARG CA . 52197 1 148 . 1 . 1 32 32 ARG CB C 13 27.221 0.3 . 1 . . . . . 32 ARG CB . 52197 1 149 . 1 . 1 32 32 ARG N N 15 120.06 0.3 . 1 . . . . . 32 ARG N . 52197 1 150 . 1 . 1 33 33 SER C C 13 173.241 0.3 . 1 . . . . . 33 SER C . 52197 1 151 . 1 . 1 33 33 SER CA C 13 56.869 0.3 . 1 . . . . . 33 SER CA . 52197 1 152 . 1 . 1 33 33 SER CB C 13 63.335 0.3 . 1 . . . . . 33 SER CB . 52197 1 153 . 1 . 1 33 33 SER N N 15 109.653 0.3 . 1 . . . . . 33 SER N . 52197 1 154 . 1 . 1 34 34 ALA C C 13 175.993 0.3 . 1 . . . . . 34 ALA C . 52197 1 155 . 1 . 1 34 34 ALA CA C 13 50.06 0.3 . 1 . . . . . 34 ALA CA . 52197 1 156 . 1 . 1 34 34 ALA CB C 13 20.321 0.3 . 1 . . . . . 34 ALA CB . 52197 1 157 . 1 . 1 34 34 ALA N N 15 126.493 0.3 . 1 . . . . . 34 ALA N . 52197 1 158 . 1 . 1 35 35 ARG C C 13 178.578 0.3 . 1 . . . . . 35 ARG C . 52197 1 159 . 1 . 1 35 35 ARG CA C 13 60.094 0.3 . 1 . . . . . 35 ARG CA . 52197 1 160 . 1 . 1 35 35 ARG CB C 13 29.93 0.3 . 1 . . . . . 35 ARG CB . 52197 1 161 . 1 . 1 35 35 ARG CG C 13 25.992 0.3 . 1 . . . . . 35 ARG CG . 52197 1 162 . 1 . 1 35 35 ARG CD C 13 42.063 0.3 . 1 . . . . . 35 ARG CD . 52197 1 163 . 1 . 1 35 35 ARG N N 15 126.395 0.3 . 1 . . . . . 35 ARG N . 52197 1 164 . 1 . 1 36 36 ASP C C 13 176.52 0.3 . 1 . . . . . 36 ASP C . 52197 1 165 . 1 . 1 36 36 ASP CA C 13 55.544 0.3 . 1 . . . . . 36 ASP CA . 52197 1 166 . 1 . 1 36 36 ASP CB C 13 42.017 0.3 . 1 . . . . . 36 ASP CB . 52197 1 167 . 1 . 1 36 36 ASP CG C 13 178.28 0.3 . 1 . . . . . 36 ASP CG . 52197 1 168 . 1 . 1 36 36 ASP N N 15 111.803 0.3 . 1 . . . . . 36 ASP N . 52197 1 169 . 1 . 1 37 37 ILE C C 13 175.954 0.3 . 1 . . . . . 37 ILE C . 52197 1 170 . 1 . 1 37 37 ILE CA C 13 59.487 0.3 . 1 . . . . . 37 ILE CA . 52197 1 171 . 1 . 1 37 37 ILE CB C 13 37.784 0.3 . 1 . . . . . 37 ILE CB . 52197 1 172 . 1 . 1 37 37 ILE CG1 C 13 28.237 0.3 . 1 . . . . . 37 ILE CG1 . 52197 1 173 . 1 . 1 37 37 ILE CG2 C 13 17.581 0.3 . 1 . . . . . 37 ILE CG2 . 52197 1 174 . 1 . 1 37 37 ILE N N 15 118.184 0.3 . 1 . . . . . 37 ILE N . 52197 1 175 . 1 . 1 38 38 SER C C 13 175.096 0.3 . 1 . . . . . 38 SER C . 52197 1 176 . 1 . 1 38 38 SER CA C 13 56.202 0.3 . 1 . . . . . 38 SER CA . 52197 1 177 . 1 . 1 38 38 SER CB C 13 62.343 0.3 . 1 . . . . . 38 SER CB . 52197 1 178 . 1 . 1 38 38 SER N N 15 120.296 0.3 . 1 . . . . . 38 SER N . 52197 1 179 . 1 . 1 39 39 LEU C C 13 178.507 0.3 . 1 . . . . . 39 LEU C . 52197 1 180 . 1 . 1 39 39 LEU CA C 13 58.127 0.3 . 1 . . . . . 39 LEU CA . 52197 1 181 . 1 . 1 39 39 LEU CB C 13 42.037 0.3 . 1 . . . . . 39 LEU CB . 52197 1 182 . 1 . 1 39 39 LEU CG C 13 27.116 0.3 . 1 . . . . . 39 LEU CG . 52197 1 183 . 1 . 1 39 39 LEU CD1 C 13 24.239 0.3 . 2 . . . . . 39 LEU CD1 . 52197 1 184 . 1 . 1 39 39 LEU CD2 C 13 23.177 0.3 . 2 . . . . . 39 LEU CD2 . 52197 1 185 . 1 . 1 39 39 LEU N N 15 132.65 0.3 . 1 . . . . . 39 LEU N . 52197 1 186 . 1 . 1 40 40 GLY C C 13 174.441 0.3 . 1 . . . . . 40 GLY C . 52197 1 187 . 1 . 1 40 40 GLY CA C 13 47.693 0.3 . 1 . . . . . 40 GLY CA . 52197 1 188 . 1 . 1 40 40 GLY N N 15 105.972 0.3 . 1 . . . . . 40 GLY N . 52197 1 189 . 1 . 1 41 41 MET C C 13 177.504 0.3 . 1 . . . . . 41 MET C . 52197 1 190 . 1 . 1 41 41 MET CA C 13 58.529 0.3 . 1 . . . . . 41 MET CA . 52197 1 191 . 1 . 1 41 41 MET CB C 13 33.521 0.3 . 1 . . . . . 41 MET CB . 52197 1 192 . 1 . 1 41 41 MET CG C 13 31.909 0.3 . 1 . . . . . 41 MET CG . 52197 1 193 . 1 . 1 41 41 MET N N 15 118.545 0.3 . 1 . . . . . 41 MET N . 52197 1 194 . 1 . 1 42 42 PHE C C 13 177.391 0.3 . 1 . . . . . 42 PHE C . 52197 1 195 . 1 . 1 42 42 PHE CA C 13 64.044 0.3 . 1 . . . . . 42 PHE CA . 52197 1 196 . 1 . 1 42 42 PHE CB C 13 39.498 0.3 . 1 . . . . . 42 PHE CB . 52197 1 197 . 1 . 1 42 42 PHE N N 15 114.877 0.3 . 1 . . . . . 42 PHE N . 52197 1 198 . 1 . 1 43 43 LEU C C 13 178.507 0.3 . 1 . . . . . 43 LEU C . 52197 1 199 . 1 . 1 43 43 LEU CA C 13 58.225 0.3 . 1 . . . . . 43 LEU CA . 52197 1 200 . 1 . 1 43 43 LEU CB C 13 41.633 0.3 . 1 . . . . . 43 LEU CB . 52197 1 201 . 1 . 1 43 43 LEU CG C 13 26.706 0.3 . 1 . . . . . 43 LEU CG . 52197 1 202 . 1 . 1 43 43 LEU N N 15 119.599 0.3 . 1 . . . . . 43 LEU N . 52197 1 203 . 1 . 1 44 44 VAL C C 13 177.394 0.3 . 1 . . . . . 44 VAL C . 52197 1 204 . 1 . 1 44 44 VAL CA C 13 66.036 0.3 . 1 . . . . . 44 VAL CA . 52197 1 205 . 1 . 1 44 44 VAL CB C 13 29.667 0.3 . 1 . . . . . 44 VAL CB . 52197 1 206 . 1 . 1 44 44 VAL CG1 C 13 23.312 0.3 . 2 . . . . . 44 VAL CG1 . 52197 1 207 . 1 . 1 44 44 VAL CG2 C 13 21.823 0.3 . 2 . . . . . 44 VAL CG2 . 52197 1 208 . 1 . 1 44 44 VAL N N 15 119.984 0.3 . 1 . . . . . 44 VAL N . 52197 1 209 . 1 . 1 45 45 MET C C 13 178.51 0.3 . 1 . . . . . 45 MET C . 52197 1 210 . 1 . 1 45 45 MET CA C 13 58.178 0.3 . 1 . . . . . 45 MET CA . 52197 1 211 . 1 . 1 45 45 MET CB C 13 31.612 0.3 . 1 . . . . . 45 MET CB . 52197 1 212 . 1 . 1 45 45 MET CG C 13 29.457 0.3 . 1 . . . . . 45 MET CG . 52197 1 213 . 1 . 1 45 45 MET N N 15 121.088 0.3 . 1 . . . . . 45 MET N . 52197 1 214 . 1 . 1 46 46 VAL C C 13 177.331 0.3 . 1 . . . . . 46 VAL C . 52197 1 215 . 1 . 1 46 46 VAL CA C 13 66.031 0.3 . 1 . . . . . 46 VAL CA . 52197 1 216 . 1 . 1 46 46 VAL CB C 13 31.367 0.3 . 1 . . . . . 46 VAL CB . 52197 1 217 . 1 . 1 46 46 VAL CG1 C 13 23.209 0.3 . 2 . . . . . 46 VAL CG1 . 52197 1 218 . 1 . 1 46 46 VAL CG2 C 13 21.806 0.3 . 2 . . . . . 46 VAL CG2 . 52197 1 219 . 1 . 1 46 46 VAL N N 15 118.899 0.3 . 1 . . . . . 46 VAL N . 52197 1 220 . 1 . 1 47 47 LEU C C 13 178.007 0.3 . 1 . . . . . 47 LEU C . 52197 1 221 . 1 . 1 47 47 LEU CA C 13 58.3 0.3 . 1 . . . . . 47 LEU CA . 52197 1 222 . 1 . 1 47 47 LEU CB C 13 41.251 0.3 . 1 . . . . . 47 LEU CB . 52197 1 223 . 1 . 1 47 47 LEU CG C 13 27.093 0.3 . 1 . . . . . 47 LEU CG . 52197 1 224 . 1 . 1 47 47 LEU CD1 C 13 24.072 0.3 . 2 . . . . . 47 LEU CD1 . 52197 1 225 . 1 . 1 47 47 LEU CD2 C 13 23.102 0.3 . 2 . . . . . 47 LEU CD2 . 52197 1 226 . 1 . 1 47 47 LEU N N 15 120.372 0.3 . 1 . . . . . 47 LEU N . 52197 1 227 . 1 . 1 48 48 GLY C C 13 174.696 0.3 . 1 . . . . . 48 GLY C . 52197 1 228 . 1 . 1 48 48 GLY CA C 13 48.648 0.3 . 1 . . . . . 48 GLY CA . 52197 1 229 . 1 . 1 48 48 GLY N N 15 105.305 0.3 . 1 . . . . . 48 GLY N . 52197 1 230 . 1 . 1 49 49 LEU C C 13 178.809 0.3 . 1 . . . . . 49 LEU C . 52197 1 231 . 1 . 1 49 49 LEU CA C 13 57.749 0.3 . 1 . . . . . 49 LEU CA . 52197 1 232 . 1 . 1 49 49 LEU CB C 13 41.983 0.3 . 1 . . . . . 49 LEU CB . 52197 1 233 . 1 . 1 49 49 LEU CG C 13 26.447 0.3 . 1 . . . . . 49 LEU CG . 52197 1 234 . 1 . 1 49 49 LEU CD1 C 13 22.913 0.3 . 2 . . . . . 49 LEU CD1 . 52197 1 235 . 1 . 1 49 49 LEU N N 15 121.117 0.3 . 1 . . . . . 49 LEU N . 52197 1 236 . 1 . 1 50 50 ALA C C 13 177.476 0.3 . 1 . . . . . 50 ALA C . 52197 1 237 . 1 . 1 50 50 ALA CA C 13 55.307 0.3 . 1 . . . . . 50 ALA CA . 52197 1 238 . 1 . 1 50 50 ALA CB C 13 18.273 0.3 . 1 . . . . . 50 ALA CB . 52197 1 239 . 1 . 1 50 50 ALA N N 15 121.21 0.3 . 1 . . . . . 50 ALA N . 52197 1 240 . 1 . 1 51 51 LEU C C 13 179.17 0.3 . 1 . . . . . 51 LEU C . 52197 1 241 . 1 . 1 51 51 LEU CA C 13 58.037 0.3 . 1 . . . . . 51 LEU CA . 52197 1 242 . 1 . 1 51 51 LEU CB C 13 42.019 0.3 . 1 . . . . . 51 LEU CB . 52197 1 243 . 1 . 1 51 51 LEU CG C 13 26.483 0.3 . 1 . . . . . 51 LEU CG . 52197 1 244 . 1 . 1 51 51 LEU CD1 C 13 22.966 0.3 . 2 . . . . . 51 LEU CD1 . 52197 1 245 . 1 . 1 51 51 LEU N N 15 121.215 0.3 . 1 . . . . . 51 LEU N . 52197 1 246 . 1 . 1 52 52 TRP C C 13 179.973 0.3 . 1 . . . . . 52 TRP C . 52197 1 247 . 1 . 1 52 52 TRP CA C 13 59.758 0.3 . 1 . . . . . 52 TRP CA . 52197 1 248 . 1 . 1 52 52 TRP CB C 13 29.531 0.3 . 1 . . . . . 52 TRP CB . 52197 1 249 . 1 . 1 52 52 TRP N N 15 121.321 0.3 . 1 . . . . . 52 TRP N . 52197 1 250 . 1 . 1 53 53 LEU C C 13 178.803 0.3 . 1 . . . . . 53 LEU C . 52197 1 251 . 1 . 1 53 53 LEU CA C 13 58.788 0.3 . 1 . . . . . 53 LEU CA . 52197 1 252 . 1 . 1 53 53 LEU CB C 13 41.439 0.3 . 1 . . . . . 53 LEU CB . 52197 1 253 . 1 . 1 53 53 LEU CG C 13 26.328 0.3 . 1 . . . . . 53 LEU CG . 52197 1 254 . 1 . 1 53 53 LEU CD1 C 13 23.990 0.3 . 2 . . . . . 53 LEU CD1 . 52197 1 255 . 1 . 1 53 53 LEU N N 15 120.322 0.3 . 1 . . . . . 53 LEU N . 52197 1 256 . 1 . 1 54 54 ILE C C 13 177.403 0.3 . 1 . . . . . 54 ILE C . 52197 1 257 . 1 . 1 54 54 ILE CA C 13 66.01 0.3 . 1 . . . . . 54 ILE CA . 52197 1 258 . 1 . 1 54 54 ILE CB C 13 37.717 0.3 . 1 . . . . . 54 ILE CB . 52197 1 259 . 1 . 1 54 54 ILE CG1 C 13 31.451 0.3 . 1 . . . . . 54 ILE CG1 . 52197 1 260 . 1 . 1 54 54 ILE CG2 C 13 18.224 0.3 . 1 . . . . . 54 ILE CG2 . 52197 1 261 . 1 . 1 54 54 ILE N N 15 118.946 0.3 . 1 . . . . . 54 ILE N . 52197 1 262 . 1 . 1 55 55 TYR C C 13 179.397 0.3 . 1 . . . . . 55 TYR C . 52197 1 263 . 1 . 1 55 55 TYR CA C 13 62.202 0.3 . 1 . . . . . 55 TYR CA . 52197 1 264 . 1 . 1 55 55 TYR CB C 13 38.773 0.3 . 1 . . . . . 55 TYR CB . 52197 1 265 . 1 . 1 55 55 TYR N N 15 120.566 0.3 . 1 . . . . . 55 TYR N . 52197 1 266 . 1 . 1 56 56 GLY C C 13 175.273 0.3 . 1 . . . . . 56 GLY C . 52197 1 267 . 1 . 1 56 56 GLY CA C 13 47.932 0.3 . 1 . . . . . 56 GLY CA . 52197 1 268 . 1 . 1 56 56 GLY N N 15 109.303 0.3 . 1 . . . . . 56 GLY N . 52197 1 269 . 1 . 1 57 57 LEU C C 13 179.714 0.3 . 1 . . . . . 57 LEU C . 52197 1 270 . 1 . 1 57 57 LEU CA C 13 57.993 0.3 . 1 . . . . . 57 LEU CA . 52197 1 271 . 1 . 1 57 57 LEU CB C 13 42.301 0.3 . 1 . . . . . 57 LEU CB . 52197 1 272 . 1 . 1 57 57 LEU CG C 13 27.215 0.3 . 1 . . . . . 57 LEU CG . 52197 1 273 . 1 . 1 57 57 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 57 LEU CD1 . 52197 1 274 . 1 . 1 57 57 LEU N N 15 123.015 0.3 . 1 . . . . . 57 LEU N . 52197 1 275 . 1 . 1 58 58 LEU C C 13 178.398 0.3 . 1 . . . . . 58 LEU C . 52197 1 276 . 1 . 1 58 58 LEU CA C 13 57.066 0.3 . 1 . . . . . 58 LEU CA . 52197 1 277 . 1 . 1 58 58 LEU CB C 13 42.272 0.3 . 1 . . . . . 58 LEU CB . 52197 1 278 . 1 . 1 58 58 LEU CG C 13 26.846 0.3 . 1 . . . . . 58 LEU CG . 52197 1 279 . 1 . 1 58 58 LEU CD1 C 13 23.62 0.3 . 2 . . . . . 58 LEU CD1 . 52197 1 280 . 1 . 1 58 58 LEU CD2 C 13 22.768 0.3 . 2 . . . . . 58 LEU CD2 . 52197 1 281 . 1 . 1 58 58 LEU N N 15 117.496 0.3 . 1 . . . . . 58 LEU N . 52197 1 282 . 1 . 1 59 59 SER C C 13 174.917 0.3 . 1 . . . . . 59 SER C . 52197 1 283 . 1 . 1 59 59 SER CA C 13 58.46 0.3 . 1 . . . . . 59 SER CA . 52197 1 284 . 1 . 1 59 59 SER CB C 13 63.972 0.3 . 1 . . . . . 59 SER CB . 52197 1 285 . 1 . 1 59 59 SER N N 15 111.106 0.3 . 1 . . . . . 59 SER N . 52197 1 286 . 1 . 1 60 60 GLY C C 13 173.701 0.3 . 1 . . . . . 60 GLY C . 52197 1 287 . 1 . 1 60 60 GLY CA C 13 46.848 0.3 . 1 . . . . . 60 GLY CA . 52197 1 288 . 1 . 1 60 60 GLY N N 15 112.398 0.3 . 1 . . . . . 60 GLY N . 52197 1 289 . 1 . 1 61 61 ASP C C 13 174.485 0.3 . 1 . . . . . 61 ASP C . 52197 1 290 . 1 . 1 61 61 ASP CA C 13 52.051 0.3 . 1 . . . . . 61 ASP CA . 52197 1 291 . 1 . 1 61 61 ASP CB C 13 41.647 0.3 . 1 . . . . . 61 ASP CB . 52197 1 292 . 1 . 1 61 61 ASP CG C 13 179.551 0.3 . 1 . . . . . 61 ASP CG . 52197 1 293 . 1 . 1 61 61 ASP N N 15 120.488 0.3 . 1 . . . . . 61 ASP N . 52197 1 294 . 1 . 1 62 62 ALA C C 13 176.157 0.3 . 1 . . . . . 62 ALA C . 52197 1 295 . 1 . 1 62 62 ALA CA C 13 56.611 0.3 . 1 . . . . . 62 ALA CA . 52197 1 296 . 1 . 1 62 62 ALA CB C 13 16.531 0.3 . 1 . . . . . 62 ALA CB . 52197 1 297 . 1 . 1 62 62 ALA N N 15 125.72 0.3 . 1 . . . . . 62 ALA N . 52197 1 298 . 1 . 1 63 63 PRO C C 13 178.927 0.3 . 1 . . . . . 63 PRO C . 52197 1 299 . 1 . 1 63 63 PRO CA C 13 66.246 0.3 . 1 . . . . . 63 PRO CA . 52197 1 300 . 1 . 1 63 63 PRO CB C 13 30.98 0.3 . 1 . . . . . 63 PRO CB . 52197 1 301 . 1 . 1 63 63 PRO CG C 13 28.938 0.3 . 1 . . . . . 63 PRO CG . 52197 1 302 . 1 . 1 63 63 PRO CD C 13 49.672 0.3 . 1 . . . . . 63 PRO CD . 52197 1 303 . 1 . 1 63 63 PRO N N 15 134.734 0.3 . 1 . . . . . 63 PRO N . 52197 1 304 . 1 . 1 64 64 LEU C C 13 180.999 0.3 . 1 . . . . . 64 LEU C . 52197 1 305 . 1 . 1 64 64 LEU CA C 13 58.189 0.3 . 1 . . . . . 64 LEU CA . 52197 1 306 . 1 . 1 64 64 LEU CB C 13 42.102 0.3 . 1 . . . . . 64 LEU CB . 52197 1 307 . 1 . 1 64 64 LEU CG C 13 27.163 0.3 . 1 . . . . . 64 LEU CG . 52197 1 308 . 1 . 1 64 64 LEU N N 15 118.606 0.3 . 1 . . . . . 64 LEU N . 52197 1 309 . 1 . 1 65 65 ILE C C 13 176.797 0.3 . 1 . . . . . 65 ILE C . 52197 1 310 . 1 . 1 65 65 ILE CA C 13 65.451 0.3 . 1 . . . . . 65 ILE CA . 52197 1 311 . 1 . 1 65 65 ILE CB C 13 38.547 0.3 . 1 . . . . . 65 ILE CB . 52197 1 312 . 1 . 1 65 65 ILE CG1 C 13 29.517 0.3 . 1 . . . . . 65 ILE CG1 . 52197 1 313 . 1 . 1 65 65 ILE CG2 C 13 17.764 0.3 . 1 . . . . . 65 ILE CG2 . 52197 1 314 . 1 . 1 65 65 ILE CD1 C 13 15.091 0.3 . 1 . . . . . 65 ILE CD1 . 52197 1 315 . 1 . 1 65 65 ILE N N 15 121.607 0.3 . 1 . . . . . 65 ILE N . 52197 1 316 . 1 . 1 66 66 ALA C C 13 176.637 0.3 . 1 . . . . . 66 ALA C . 52197 1 317 . 1 . 1 66 66 ALA CA C 13 55.642 0.3 . 1 . . . . . 66 ALA CA . 52197 1 318 . 1 . 1 66 66 ALA CB C 13 19.034 0.3 . 1 . . . . . 66 ALA CB . 52197 1 319 . 1 . 1 66 66 ALA N N 15 118.878 0.3 . 1 . . . . . 66 ALA N . 52197 1 320 . 1 . 1 67 67 SER C C 13 176.49 0.3 . 1 . . . . . 67 SER C . 52197 1 321 . 1 . 1 67 67 SER CA C 13 65.446 0.3 . 1 . . . . . 67 SER CA . 52197 1 322 . 1 . 1 67 67 SER CB C 13 68.404 0.3 . 1 . . . . . 67 SER CB . 52197 1 323 . 1 . 1 67 67 SER N N 15 118.736 0.3 . 1 . . . . . 67 SER N . 52197 1 324 . 1 . 1 68 68 ASN C C 13 176.976 0.3 . 1 . . . . . 68 ASN C . 52197 1 325 . 1 . 1 68 68 ASN CA C 13 60.009 0.3 . 1 . . . . . 68 ASN CA . 52197 1 326 . 1 . 1 68 68 ASN CB C 13 37.878 0.3 . 1 . . . . . 68 ASN CB . 52197 1 327 . 1 . 1 68 68 ASN CG C 13 178.294 0.3 . 1 . . . . . 68 ASN CG . 52197 1 328 . 1 . 1 68 68 ASN N N 15 118.733 0.3 . 1 . . . . . 68 ASN N . 52197 1 329 . 1 . 1 68 68 ASN ND2 N 15 119.38 0.3 . 1 . . . . . 68 ASN ND2 . 52197 1 330 . 1 . 1 69 69 ALA C C 13 178.816 0.3 . 1 . . . . . 69 ALA C . 52197 1 331 . 1 . 1 69 69 ALA CA C 13 55.573 0.3 . 1 . . . . . 69 ALA CA . 52197 1 332 . 1 . 1 69 69 ALA CB C 13 18.974 0.3 . 1 . . . . . 69 ALA CB . 52197 1 333 . 1 . 1 69 69 ALA N N 15 118.768 0.3 . 1 . . . . . 69 ALA N . 52197 1 334 . 1 . 1 70 70 VAL C C 13 180.028 0.3 . 1 . . . . . 70 VAL C . 52197 1 335 . 1 . 1 70 70 VAL CA C 13 66.746 0.3 . 1 . . . . . 70 VAL CA . 52197 1 336 . 1 . 1 70 70 VAL CB C 13 31.602 0.3 . 1 . . . . . 70 VAL CB . 52197 1 337 . 1 . 1 70 70 VAL N N 15 115.465 0.3 . 1 . . . . . 70 VAL N . 52197 1 338 . 1 . 1 71 71 THR C C 13 175.903 0.3 . 1 . . . . . 71 THR C . 52197 1 339 . 1 . 1 71 71 THR CA C 13 65.382 0.3 . 1 . . . . . 71 THR CA . 52197 1 340 . 1 . 1 71 71 THR CB C 13 68.671 0.3 . 1 . . . . . 71 THR CB . 52197 1 341 . 1 . 1 71 71 THR N N 15 116.457 0.3 . 1 . . . . . 71 THR N . 52197 1 342 . 1 . 1 72 72 MET C C 13 177.752 0.3 . 1 . . . . . 72 MET C . 52197 1 343 . 1 . 1 72 72 MET CA C 13 64.485 0.3 . 1 . . . . . 72 MET CA . 52197 1 344 . 1 . 1 72 72 MET CB C 13 31.589 0.3 . 1 . . . . . 72 MET CB . 52197 1 345 . 1 . 1 72 72 MET N N 15 113.547 0.3 . 1 . . . . . 72 MET N . 52197 1 346 . 1 . 1 73 73 LEU C C 13 179.573 0.3 . 1 . . . . . 73 LEU C . 52197 1 347 . 1 . 1 73 73 LEU CA C 13 58.134 0.3 . 1 . . . . . 73 LEU CA . 52197 1 348 . 1 . 1 73 73 LEU CB C 13 42.476 0.3 . 1 . . . . . 73 LEU CB . 52197 1 349 . 1 . 1 73 73 LEU N N 15 122.038 0.3 . 1 . . . . . 73 LEU N . 52197 1 350 . 1 . 1 74 74 LEU C C 13 178.8 0.3 . 1 . . . . . 74 LEU C . 52197 1 351 . 1 . 1 74 74 LEU CA C 13 57.843 0.3 . 1 . . . . . 74 LEU CA . 52197 1 352 . 1 . 1 74 74 LEU CB C 13 41.859 0.3 . 1 . . . . . 74 LEU CB . 52197 1 353 . 1 . 1 74 74 LEU N N 15 117.159 0.3 . 1 . . . . . 74 LEU N . 52197 1 354 . 1 . 1 75 75 ALA C C 13 180.012 0.3 . 1 . . . . . 75 ALA C . 52197 1 355 . 1 . 1 75 75 ALA CA C 13 55.221 0.3 . 1 . . . . . 75 ALA CA . 52197 1 356 . 1 . 1 75 75 ALA CB C 13 17.577 0.3 . 1 . . . . . 75 ALA CB . 52197 1 357 . 1 . 1 75 75 ALA N N 15 121.118 0.3 . 1 . . . . . 75 ALA N . 52197 1 358 . 1 . 1 76 76 GLY C C 13 175.337 0.3 . 1 . . . . . 76 GLY C . 52197 1 359 . 1 . 1 76 76 GLY CA C 13 46.504 0.3 . 1 . . . . . 76 GLY CA . 52197 1 360 . 1 . 1 76 76 GLY N N 15 106.904 0.3 . 1 . . . . . 76 GLY N . 52197 1 361 . 1 . 1 77 77 GLY C C 13 175.154 0.3 . 1 . . . . . 77 GLY C . 52197 1 362 . 1 . 1 77 77 GLY CA C 13 47.861 0.3 . 1 . . . . . 77 GLY CA . 52197 1 363 . 1 . 1 77 77 GLY N N 15 109.262 0.3 . 1 . . . . . 77 GLY N . 52197 1 364 . 1 . 1 78 78 ILE C C 13 176.6 0.3 . 1 . . . . . 78 ILE C . 52197 1 365 . 1 . 1 78 78 ILE CA C 13 66.072 0.3 . 1 . . . . . 78 ILE CA . 52197 1 366 . 1 . 1 78 78 ILE CB C 13 37.475 0.3 . 1 . . . . . 78 ILE CB . 52197 1 367 . 1 . 1 78 78 ILE CG1 C 13 31.040 0.3 . 1 . . . . . 78 ILE CG1 . 52197 1 368 . 1 . 1 78 78 ILE CG2 C 13 16.530 0.3 . 1 . . . . . 78 ILE CG2 . 52197 1 369 . 1 . 1 78 78 ILE CD1 C 13 15.784 0.3 . 1 . . . . . 78 ILE CD1 . 52197 1 370 . 1 . 1 78 78 ILE N N 15 122.264 0.3 . 1 . . . . . 78 ILE N . 52197 1 371 . 1 . 1 79 79 LEU C C 13 178.769 0.3 . 1 . . . . . 79 LEU C . 52197 1 372 . 1 . 1 79 79 LEU CA C 13 58.586 0.3 . 1 . . . . . 79 LEU CA . 52197 1 373 . 1 . 1 79 79 LEU CB C 13 41.226 0.3 . 1 . . . . . 79 LEU CB . 52197 1 374 . 1 . 1 79 79 LEU N N 15 120.45 0.3 . 1 . . . . . 79 LEU N . 52197 1 375 . 1 . 1 80 80 VAL C C 13 178.12 0.3 . 1 . . . . . 80 VAL C . 52197 1 376 . 1 . 1 80 80 VAL CA C 13 66.045 0.3 . 1 . . . . . 80 VAL CA . 52197 1 377 . 1 . 1 80 80 VAL CB C 13 31.483 0.3 . 1 . . . . . 80 VAL CB . 52197 1 378 . 1 . 1 80 80 VAL N N 15 118.927 0.3 . 1 . . . . . 80 VAL N . 52197 1 379 . 1 . 1 81 81 MET C C 13 179.719 0.3 . 1 . . . . . 81 MET C . 52197 1 380 . 1 . 1 81 81 MET CA C 13 58.1 0.3 . 1 . . . . . 81 MET CA . 52197 1 381 . 1 . 1 81 81 MET CB C 13 31.719 0.3 . 1 . . . . . 81 MET CB . 52197 1 382 . 1 . 1 81 81 MET CG C 13 29.432 0.3 . 1 . . . . . 81 MET CG . 52197 1 383 . 1 . 1 81 81 MET N N 15 122.015 0.3 . 1 . . . . . 81 MET N . 52197 1 384 . 1 . 1 82 82 LYS C C 13 179.726 0.3 . 1 . . . . . 82 LYS C . 52197 1 385 . 1 . 1 82 82 LYS CA C 13 57.979 0.3 . 1 . . . . . 82 LYS CA . 52197 1 386 . 1 . 1 82 82 LYS CB C 13 26.38 0.3 . 1 . . . . . 82 LYS CB . 52197 1 387 . 1 . 1 82 82 LYS N N 15 117.125 0.3 . 1 . . . . . 82 LYS N . 52197 1 388 . 1 . 1 83 83 LEU C C 13 178.004 0.3 . 1 . . . . . 83 LEU C . 52197 1 389 . 1 . 1 83 83 LEU CA C 13 58.595 0.3 . 1 . . . . . 83 LEU CA . 52197 1 390 . 1 . 1 83 83 LEU CB C 13 42.845 0.3 . 1 . . . . . 83 LEU CB . 52197 1 391 . 1 . 1 83 83 LEU N N 15 120.582 0.3 . 1 . . . . . 83 LEU N . 52197 1 392 . 1 . 1 84 84 ARG C C 13 178.78 0.3 . 1 . . . . . 84 ARG C . 52197 1 393 . 1 . 1 84 84 ARG CA C 13 57.311 0.3 . 1 . . . . . 84 ARG CA . 52197 1 394 . 1 . 1 84 84 ARG CB C 13 31.237 0.3 . 1 . . . . . 84 ARG CB . 52197 1 395 . 1 . 1 84 84 ARG N N 15 117.054 0.3 . 1 . . . . . 84 ARG N . 52197 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52197 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Chemical shifts observed in the occluded conformation of Bj-SemiSWEET' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 NCACX . . . 52197 2 2 NCOCX . . . 52197 2 3 CONCA . . . 52197 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 $software_1 . . 52197 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 PRO C C 13 178.695 0.3 . 1 . . . . . 3 PRO C . 52197 2 2 . 1 . 1 3 3 PRO CA C 13 64.774 0.3 . 1 . . . . . 3 PRO CA . 52197 2 3 . 1 . 1 3 3 PRO CB C 13 32.207 0.3 . 1 . . . . . 3 PRO CB . 52197 2 4 . 1 . 1 3 3 PRO CG C 13 27.387 0.3 . 1 . . . . . 3 PRO CG . 52197 2 5 . 1 . 1 3 3 PRO CD C 13 51.286 0.3 . 1 . . . . . 3 PRO CD . 52197 2 6 . 1 . 1 3 3 PRO N N 15 139.025 0.3 . 1 . . . . . 3 PRO N . 52197 2 7 . 1 . 1 4 4 PHE C C 13 180.023 0.3 . 1 . . . . . 4 PHE C . 52197 2 8 . 1 . 1 4 4 PHE CA C 13 60.565 0.3 . 1 . . . . . 4 PHE CA . 52197 2 9 . 1 . 1 4 4 PHE CB C 13 38.164 0.3 . 1 . . . . . 4 PHE CB . 52197 2 10 . 1 . 1 4 4 PHE N N 15 119.835 0.3 . 1 . . . . . 4 PHE N . 52197 2 11 . 1 . 1 5 5 LEU C C 13 178.28 0.3 . 1 . . . . . 5 LEU C . 52197 2 12 . 1 . 1 5 5 LEU CA C 13 57.094 0.3 . 1 . . . . . 5 LEU CA . 52197 2 13 . 1 . 1 5 5 LEU CB C 13 42.253 0.3 . 1 . . . . . 5 LEU CB . 52197 2 14 . 1 . 1 5 5 LEU N N 15 118.178 0.3 . 1 . . . . . 5 LEU N . 52197 2 15 . 1 . 1 6 6 ILE C C 13 177.636 0.3 . 1 . . . . . 6 ILE C . 52197 2 16 . 1 . 1 6 6 ILE CA C 13 66.211 0.3 . 1 . . . . . 6 ILE CA . 52197 2 17 . 1 . 1 6 6 ILE CB C 13 38.145 0.3 . 1 . . . . . 6 ILE CB . 52197 2 18 . 1 . 1 6 6 ILE CG1 C 13 29.318 0.3 . 1 . . . . . 6 ILE CG1 . 52197 2 19 . 1 . 1 6 6 ILE N N 15 116.771 0.3 . 1 . . . . . 6 ILE N . 52197 2 20 . 1 . 1 7 7 LYS C C 13 177.651 0.3 . 1 . . . . . 7 LYS C . 52197 2 21 . 1 . 1 7 7 LYS CA C 13 58.44 0.3 . 1 . . . . . 7 LYS CA . 52197 2 22 . 1 . 1 7 7 LYS CB C 13 31.595 0.3 . 1 . . . . . 7 LYS CB . 52197 2 23 . 1 . 1 7 7 LYS N N 15 119.976 0.3 . 1 . . . . . 7 LYS N . 52197 2 24 . 1 . 1 8 8 LEU C C 13 178.711 0.3 . 1 . . . . . 8 LEU C . 52197 2 25 . 1 . 1 8 8 LEU CA C 13 58.412 0.3 . 1 . . . . . 8 LEU CA . 52197 2 26 . 1 . 1 8 8 LEU CB C 13 41.374 0.3 . 1 . . . . . 8 LEU CB . 52197 2 27 . 1 . 1 8 8 LEU CG C 13 27.759 0.3 . 1 . . . . . 8 LEU CG . 52197 2 28 . 1 . 1 8 8 LEU N N 15 121.407 0.3 . 1 . . . . . 8 LEU N . 52197 2 29 . 1 . 1 9 9 ILE C C 13 177.411 0.3 . 1 . . . . . 9 ILE C . 52197 2 30 . 1 . 1 9 9 ILE CA C 13 66.154 0.3 . 1 . . . . . 9 ILE CA . 52197 2 31 . 1 . 1 9 9 ILE CB C 13 37.624 0.3 . 1 . . . . . 9 ILE CB . 52197 2 32 . 1 . 1 9 9 ILE CG1 C 13 27.429 0.3 . 1 . . . . . 9 ILE CG1 . 52197 2 33 . 1 . 1 9 9 ILE CG2 C 13 18.186 0.3 . 1 . . . . . 9 ILE CG2 . 52197 2 34 . 1 . 1 9 9 ILE CD1 C 13 14.38 0.3 . 1 . . . . . 9 ILE CD1 . 52197 2 35 . 1 . 1 9 9 ILE N N 15 119.508 0.3 . 1 . . . . . 9 ILE N . 52197 2 36 . 1 . 1 10 10 GLY C C 13 175.251 0.3 . 1 . . . . . 10 GLY C . 52197 2 37 . 1 . 1 10 10 GLY CA C 13 46.476 0.3 . 1 . . . . . 10 GLY CA . 52197 2 38 . 1 . 1 10 10 GLY N N 15 106.723 0.3 . 1 . . . . . 10 GLY N . 52197 2 39 . 1 . 1 11 11 PHE C C 13 179.008 0.3 . 1 . . . . . 11 PHE C . 52197 2 40 . 1 . 1 11 11 PHE CA C 13 57.986 0.3 . 1 . . . . . 11 PHE CA . 52197 2 41 . 1 . 1 11 11 PHE CB C 13 39.106 0.3 . 1 . . . . . 11 PHE CB . 52197 2 42 . 1 . 1 11 11 PHE N N 15 122.172 0.3 . 1 . . . . . 11 PHE N . 52197 2 43 . 1 . 1 12 12 ALA C C 13 179.746 0.3 . 1 . . . . . 12 ALA C . 52197 2 44 . 1 . 1 12 12 ALA CA C 13 55.416 0.3 . 1 . . . . . 12 ALA CA . 52197 2 45 . 1 . 1 12 12 ALA CB C 13 18.294 0.3 . 1 . . . . . 12 ALA CB . 52197 2 46 . 1 . 1 12 12 ALA N N 15 121.22 0.3 . 1 . . . . . 12 ALA N . 52197 2 47 . 1 . 1 13 13 ALA C C 13 178.813 0.3 . 1 . . . . . 13 ALA C . 52197 2 48 . 1 . 1 13 13 ALA CA C 13 55.252 0.3 . 1 . . . . . 13 ALA CA . 52197 2 49 . 1 . 1 13 13 ALA CB C 13 18.5 0.3 . 1 . . . . . 13 ALA CB . 52197 2 50 . 1 . 1 13 13 ALA N N 15 125.224 0.3 . 1 . . . . . 13 ALA N . 52197 2 51 . 1 . 1 14 14 ALA C C 13 178.353 0.3 . 1 . . . . . 14 ALA C . 52197 2 52 . 1 . 1 14 14 ALA CA C 13 55.408 0.3 . 1 . . . . . 14 ALA CA . 52197 2 53 . 1 . 1 14 14 ALA CB C 13 18.297 0.3 . 1 . . . . . 14 ALA CB . 52197 2 54 . 1 . 1 14 14 ALA N N 15 127.257 0.3 . 1 . . . . . 14 ALA N . 52197 2 55 . 1 . 1 15 15 THR C C 13 178.846 0.3 . 1 . . . . . 15 THR C . 52197 2 56 . 1 . 1 15 15 THR CA C 13 68.04 0.3 . 1 . . . . . 15 THR CA . 52197 2 57 . 1 . 1 15 15 THR CB C 13 65.424 0.3 . 1 . . . . . 15 THR CB . 52197 2 58 . 1 . 1 15 15 THR CG2 C 13 18.66 0.3 . 1 . . . . . 15 THR CG2 . 52197 2 59 . 1 . 1 15 15 THR N N 15 115.952 0.3 . 1 . . . . . 15 THR N . 52197 2 60 . 1 . 1 16 16 CYS C C 13 178.989 0.3 . 1 . . . . . 16 CYS C . 52197 2 61 . 1 . 1 16 16 CYS CA C 13 59.131 0.3 . 1 . . . . . 16 CYS CA . 52197 2 62 . 1 . 1 16 16 CYS CB C 13 32.993 0.3 . 1 . . . . . 16 CYS CB . 52197 2 63 . 1 . 1 16 16 CYS N N 15 115.358 0.3 . 1 . . . . . 16 CYS N . 52197 2 64 . 1 . 1 17 17 THR C C 13 175.627 0.3 . 1 . . . . . 17 THR C . 52197 2 65 . 1 . 1 17 17 THR CA C 13 62.326 0.3 . 1 . . . . . 17 THR CA . 52197 2 66 . 1 . 1 17 17 THR CB C 13 71.017 0.3 . 1 . . . . . 17 THR CB . 52197 2 67 . 1 . 1 17 17 THR CG2 C 13 22.389 0.3 . 1 . . . . . 17 THR CG2 . 52197 2 68 . 1 . 1 17 17 THR N N 15 105.992 0.3 . 1 . . . . . 17 THR N . 52197 2 69 . 1 . 1 18 18 THR C C 13 176.621 0.3 . 1 . . . . . 18 THR C . 52197 2 70 . 1 . 1 18 18 THR CA C 13 65.295 0.3 . 1 . . . . . 18 THR CA . 52197 2 71 . 1 . 1 18 18 THR CB C 13 68.12 0.3 . 1 . . . . . 18 THR CB . 52197 2 72 . 1 . 1 18 18 THR CG2 C 13 22.88 0.3 . 1 . . . . . 18 THR CG2 . 52197 2 73 . 1 . 1 18 18 THR N N 15 106.601 0.3 . 1 . . . . . 18 THR N . 52197 2 74 . 1 . 1 19 19 VAL C C 13 176.995 0.3 . 1 . . . . . 19 VAL C . 52197 2 75 . 1 . 1 19 19 VAL CA C 13 65.523 0.3 . 1 . . . . . 19 VAL CA . 52197 2 76 . 1 . 1 19 19 VAL CB C 13 29.67 0.3 . 1 . . . . . 19 VAL CB . 52197 2 77 . 1 . 1 19 19 VAL CG1 C 13 22.775 0.3 . 2 . . . . . 19 VAL CG1 . 52197 2 78 . 1 . 1 19 19 VAL CG2 C 13 21.552 0.3 . 2 . . . . . 19 VAL CG2 . 52197 2 79 . 1 . 1 19 19 VAL N N 15 118.601 0.3 . 1 . . . . . 19 VAL N . 52197 2 80 . 1 . 1 20 20 ALA C C 13 179.01 0.3 . 1 . . . . . 20 ALA C . 52197 2 81 . 1 . 1 20 20 ALA CA C 13 55.567 0.3 . 1 . . . . . 20 ALA CA . 52197 2 82 . 1 . 1 20 20 ALA CB C 13 19.119 0.3 . 1 . . . . . 20 ALA CB . 52197 2 83 . 1 . 1 20 20 ALA N N 15 118.649 0.3 . 1 . . . . . 20 ALA N . 52197 2 84 . 1 . 1 21 21 TYR C C 13 178.531 0.3 . 1 . . . . . 21 TYR C . 52197 2 85 . 1 . 1 21 21 TYR CA C 13 61.32 0.3 . 1 . . . . . 21 TYR CA . 52197 2 86 . 1 . 1 21 21 TYR CB C 13 41.263 0.3 . 1 . . . . . 21 TYR CB . 52197 2 87 . 1 . 1 21 21 TYR N N 15 109.606 0.3 . 1 . . . . . 21 TYR N . 52197 2 88 . 1 . 1 22 22 ALA C C 13 176.376 0.3 . 1 . . . . . 22 ALA C . 52197 2 89 . 1 . 1 22 22 ALA CA C 13 55.566 0.3 . 1 . . . . . 22 ALA CA . 52197 2 90 . 1 . 1 22 22 ALA CB C 13 15.711 0.3 . 1 . . . . . 22 ALA CB . 52197 2 91 . 1 . 1 22 22 ALA N N 15 122.682 0.3 . 1 . . . . . 22 ALA N . 52197 2 92 . 1 . 1 23 23 PRO C C 13 178.535 0.3 . 1 . . . . . 23 PRO C . 52197 2 93 . 1 . 1 23 23 PRO CA C 13 65.395 0.3 . 1 . . . . . 23 PRO CA . 52197 2 94 . 1 . 1 23 23 PRO CB C 13 31.32 0.3 . 1 . . . . . 23 PRO CB . 52197 2 95 . 1 . 1 23 23 PRO CG C 13 28.179 0.3 . 1 . . . . . 23 PRO CG . 52197 2 96 . 1 . 1 23 23 PRO CD C 13 49.514 0.3 . 1 . . . . . 23 PRO CD . 52197 2 97 . 1 . 1 23 23 PRO N N 15 132.557 0.3 . 1 . . . . . 23 PRO N . 52197 2 98 . 1 . 1 24 24 GLN C C 13 177.288 0.3 . 1 . . . . . 24 GLN C . 52197 2 99 . 1 . 1 24 24 GLN CA C 13 57.845 0.3 . 1 . . . . . 24 GLN CA . 52197 2 100 . 1 . 1 24 24 GLN CB C 13 31.469 0.3 . 1 . . . . . 24 GLN CB . 52197 2 101 . 1 . 1 24 24 GLN CG C 13 34.175 0.3 . 1 . . . . . 24 GLN CG . 52197 2 102 . 1 . 1 24 24 GLN CD C 13 178.65 0.3 . 1 . . . . . 24 GLN CD . 52197 2 103 . 1 . 1 24 24 GLN N N 15 115.299 0.3 . 1 . . . . . 24 GLN N . 52197 2 104 . 1 . 1 25 25 PHE C C 13 176.422 0.3 . 1 . . . . . 25 PHE C . 52197 2 105 . 1 . 1 25 25 PHE CA C 13 60.576 0.3 . 1 . . . . . 25 PHE CA . 52197 2 106 . 1 . 1 25 25 PHE CB C 13 39.697 0.3 . 1 . . . . . 25 PHE CB . 52197 2 107 . 1 . 1 25 25 PHE N N 15 122.919 0.3 . 1 . . . . . 25 PHE N . 52197 2 108 . 1 . 1 26 26 ILE C C 13 178.035 0.3 . 1 . . . . . 26 ILE C . 52197 2 109 . 1 . 1 26 26 ILE CA C 13 65.193 0.3 . 1 . . . . . 26 ILE CA . 52197 2 110 . 1 . 1 26 26 ILE CB C 13 38.285 0.3 . 1 . . . . . 26 ILE CB . 52197 2 111 . 1 . 1 26 26 ILE CG1 C 13 31.622 0.3 . 1 . . . . . 26 ILE CG1 . 52197 2 112 . 1 . 1 26 26 ILE CG2 C 13 17.748 0.3 . 1 . . . . . 26 ILE CG2 . 52197 2 113 . 1 . 1 26 26 ILE CD1 C 13 13.469 0.3 . 1 . . . . . 26 ILE CD1 . 52197 2 114 . 1 . 1 26 26 ILE N N 15 116.972 0.3 . 1 . . . . . 26 ILE N . 52197 2 115 . 1 . 1 27 27 LYS C C 13 178.035 0.3 . 1 . . . . . 27 LYS C . 52197 2 116 . 1 . 1 27 27 LYS CA C 13 58.049 0.3 . 1 . . . . . 27 LYS CA . 52197 2 117 . 1 . 1 27 27 LYS CB C 13 31.296 0.3 . 1 . . . . . 27 LYS CB . 52197 2 118 . 1 . 1 27 27 LYS CE C 13 41.414 0.3 . 1 . . . . . 27 LYS CE . 52197 2 119 . 1 . 1 27 27 LYS N N 15 118.268 0.3 . 1 . . . . . 27 LYS N . 52197 2 120 . 1 . 1 27 27 LYS NZ N 15 32.977 0.3 . 1 . . . . . 27 LYS NZ . 52197 2 121 . 1 . 1 28 28 VAL C C 13 178.078 0.3 . 1 . . . . . 28 VAL C . 52197 2 122 . 1 . 1 28 28 VAL CA C 13 67.057 0.3 . 1 . . . . . 28 VAL CA . 52197 2 123 . 1 . 1 28 28 VAL CB C 13 31.331 0.3 . 1 . . . . . 28 VAL CB . 52197 2 124 . 1 . 1 28 28 VAL CG1 C 13 22.963 0.3 . 2 . . . . . 28 VAL CG1 . 52197 2 125 . 1 . 1 28 28 VAL CG2 C 13 21.535 0.3 . 2 . . . . . 28 VAL CG2 . 52197 2 126 . 1 . 1 28 28 VAL N N 15 117.049 0.3 . 1 . . . . . 28 VAL N . 52197 2 127 . 1 . 1 29 29 LEU C C 13 175.296 0.3 . 1 . . . . . 29 LEU C . 52197 2 128 . 1 . 1 29 29 LEU CA C 13 58.015 0.3 . 1 . . . . . 29 LEU CA . 52197 2 129 . 1 . 1 29 29 LEU CB C 13 42.127 0.3 . 1 . . . . . 29 LEU CB . 52197 2 130 . 1 . 1 29 29 LEU CG C 13 26.824 0.3 . 1 . . . . . 29 LEU CG . 52197 2 131 . 1 . 1 29 29 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 29 LEU CD1 . 52197 2 132 . 1 . 1 29 29 LEU N N 15 122.196 0.3 . 1 . . . . . 29 LEU N . 52197 2 133 . 1 . 1 30 30 LYS C C 13 178.791 0.3 . 1 . . . . . 30 LYS C . 52197 2 134 . 1 . 1 30 30 LYS CA C 13 57.945 0.3 . 1 . . . . . 30 LYS CA . 52197 2 135 . 1 . 1 30 30 LYS CB C 13 27.119 0.3 . 1 . . . . . 30 LYS CB . 52197 2 136 . 1 . 1 30 30 LYS CG C 13 24.111 0.3 . 1 . . . . . 30 LYS CG . 52197 2 137 . 1 . 1 30 30 LYS CD C 13 26.279 0.3 . 1 . . . . . 30 LYS CD . 52197 2 138 . 1 . 1 30 30 LYS CE C 13 41.912 0.3 . 1 . . . . . 30 LYS CE . 52197 2 139 . 1 . 1 30 30 LYS N N 15 132.833 0.3 . 1 . . . . . 30 LYS N . 52197 2 140 . 1 . 1 30 30 LYS NZ N 15 33.042 0.3 . 1 . . . . . 30 LYS NZ . 52197 2 141 . 1 . 1 31 31 THR C C 13 175.603 0.3 . 1 . . . . . 31 THR C . 52197 2 142 . 1 . 1 31 31 THR CA C 13 62.054 0.3 . 1 . . . . . 31 THR CA . 52197 2 143 . 1 . 1 31 31 THR CB C 13 70.461 0.3 . 1 . . . . . 31 THR CB . 52197 2 144 . 1 . 1 31 31 THR CG2 C 13 21.742 0.3 . 1 . . . . . 31 THR CG2 . 52197 2 145 . 1 . 1 31 31 THR N N 15 106.148 0.3 . 1 . . . . . 31 THR N . 52197 2 146 . 1 . 1 32 32 ARG C C 13 174.504 0.3 . 1 . . . . . 32 ARG C . 52197 2 147 . 1 . 1 32 32 ARG CA C 13 55.956 0.3 . 1 . . . . . 32 ARG CA . 52197 2 148 . 1 . 1 32 32 ARG CB C 13 27.221 0.3 . 1 . . . . . 32 ARG CB . 52197 2 149 . 1 . 1 32 32 ARG N N 15 120.06 0.3 . 1 . . . . . 32 ARG N . 52197 2 150 . 1 . 1 33 33 SER C C 13 173.241 0.3 . 1 . . . . . 33 SER C . 52197 2 151 . 1 . 1 33 33 SER CA C 13 56.869 0.3 . 1 . . . . . 33 SER CA . 52197 2 152 . 1 . 1 33 33 SER CB C 13 63.335 0.3 . 1 . . . . . 33 SER CB . 52197 2 153 . 1 . 1 33 33 SER N N 15 109.653 0.3 . 1 . . . . . 33 SER N . 52197 2 154 . 1 . 1 34 34 ALA C C 13 175.993 0.3 . 1 . . . . . 34 ALA C . 52197 2 155 . 1 . 1 34 34 ALA CA C 13 50.06 0.3 . 1 . . . . . 34 ALA CA . 52197 2 156 . 1 . 1 34 34 ALA CB C 13 20.321 0.3 . 1 . . . . . 34 ALA CB . 52197 2 157 . 1 . 1 34 34 ALA N N 15 126.493 0.3 . 1 . . . . . 34 ALA N . 52197 2 158 . 1 . 1 35 35 ARG C C 13 178.578 0.3 . 1 . . . . . 35 ARG C . 52197 2 159 . 1 . 1 35 35 ARG CA C 13 60.094 0.3 . 1 . . . . . 35 ARG CA . 52197 2 160 . 1 . 1 35 35 ARG CB C 13 29.93 0.3 . 1 . . . . . 35 ARG CB . 52197 2 161 . 1 . 1 35 35 ARG CG C 13 25.992 0.3 . 1 . . . . . 35 ARG CG . 52197 2 162 . 1 . 1 35 35 ARG CD C 13 42.063 0.3 . 1 . . . . . 35 ARG CD . 52197 2 163 . 1 . 1 35 35 ARG N N 15 126.395 0.3 . 1 . . . . . 35 ARG N . 52197 2 164 . 1 . 1 36 36 ASP C C 13 176.52 0.3 . 1 . . . . . 36 ASP C . 52197 2 165 . 1 . 1 36 36 ASP CA C 13 55.544 0.3 . 1 . . . . . 36 ASP CA . 52197 2 166 . 1 . 1 36 36 ASP CB C 13 42.017 0.3 . 1 . . . . . 36 ASP CB . 52197 2 167 . 1 . 1 36 36 ASP CG C 13 178.28 0.3 . 1 . . . . . 36 ASP CG . 52197 2 168 . 1 . 1 36 36 ASP N N 15 111.803 0.3 . 1 . . . . . 36 ASP N . 52197 2 169 . 1 . 1 37 37 ILE C C 13 175.954 0.3 . 1 . . . . . 37 ILE C . 52197 2 170 . 1 . 1 37 37 ILE CA C 13 59.487 0.3 . 1 . . . . . 37 ILE CA . 52197 2 171 . 1 . 1 37 37 ILE CB C 13 37.784 0.3 . 1 . . . . . 37 ILE CB . 52197 2 172 . 1 . 1 37 37 ILE CG1 C 13 28.237 0.3 . 1 . . . . . 37 ILE CG1 . 52197 2 173 . 1 . 1 37 37 ILE CG2 C 13 17.581 0.3 . 1 . . . . . 37 ILE CG2 . 52197 2 174 . 1 . 1 37 37 ILE N N 15 118.184 0.3 . 1 . . . . . 37 ILE N . 52197 2 175 . 1 . 1 38 38 SER C C 13 175.096 0.3 . 1 . . . . . 38 SER C . 52197 2 176 . 1 . 1 38 38 SER CA C 13 56.202 0.3 . 1 . . . . . 38 SER CA . 52197 2 177 . 1 . 1 38 38 SER CB C 13 62.343 0.3 . 1 . . . . . 38 SER CB . 52197 2 178 . 1 . 1 38 38 SER N N 15 120.296 0.3 . 1 . . . . . 38 SER N . 52197 2 179 . 1 . 1 39 39 LEU C C 13 178.507 0.3 . 1 . . . . . 39 LEU C . 52197 2 180 . 1 . 1 39 39 LEU CA C 13 58.127 0.3 . 1 . . . . . 39 LEU CA . 52197 2 181 . 1 . 1 39 39 LEU CB C 13 42.037 0.3 . 1 . . . . . 39 LEU CB . 52197 2 182 . 1 . 1 39 39 LEU CG C 13 27.116 0.3 . 1 . . . . . 39 LEU CG . 52197 2 183 . 1 . 1 39 39 LEU CD1 C 13 24.239 0.3 . 2 . . . . . 39 LEU CD1 . 52197 2 184 . 1 . 1 39 39 LEU CD2 C 13 23.177 0.3 . 2 . . . . . 39 LEU CD2 . 52197 2 185 . 1 . 1 39 39 LEU N N 15 132.65 0.3 . 1 . . . . . 39 LEU N . 52197 2 186 . 1 . 1 40 40 GLY C C 13 174.441 0.3 . 1 . . . . . 40 GLY C . 52197 2 187 . 1 . 1 40 40 GLY CA C 13 47.693 0.3 . 1 . . . . . 40 GLY CA . 52197 2 188 . 1 . 1 40 40 GLY N N 15 105.972 0.3 . 1 . . . . . 40 GLY N . 52197 2 189 . 1 . 1 41 41 MET C C 13 177.504 0.3 . 1 . . . . . 41 MET C . 52197 2 190 . 1 . 1 41 41 MET CA C 13 58.529 0.3 . 1 . . . . . 41 MET CA . 52197 2 191 . 1 . 1 41 41 MET CB C 13 33.521 0.3 . 1 . . . . . 41 MET CB . 52197 2 192 . 1 . 1 41 41 MET CG C 13 31.909 0.3 . 1 . . . . . 41 MET CG . 52197 2 193 . 1 . 1 41 41 MET N N 15 118.545 0.3 . 1 . . . . . 41 MET N . 52197 2 194 . 1 . 1 42 42 PHE C C 13 177.391 0.3 . 1 . . . . . 42 PHE C . 52197 2 195 . 1 . 1 42 42 PHE CA C 13 64.044 0.3 . 1 . . . . . 42 PHE CA . 52197 2 196 . 1 . 1 42 42 PHE CB C 13 39.498 0.3 . 1 . . . . . 42 PHE CB . 52197 2 197 . 1 . 1 42 42 PHE N N 15 114.877 0.3 . 1 . . . . . 42 PHE N . 52197 2 198 . 1 . 1 43 43 LEU C C 13 178.507 0.3 . 1 . . . . . 43 LEU C . 52197 2 199 . 1 . 1 43 43 LEU CA C 13 58.225 0.3 . 1 . . . . . 43 LEU CA . 52197 2 200 . 1 . 1 43 43 LEU CB C 13 41.633 0.3 . 1 . . . . . 43 LEU CB . 52197 2 201 . 1 . 1 43 43 LEU CG C 13 26.706 0.3 . 1 . . . . . 43 LEU CG . 52197 2 202 . 1 . 1 43 43 LEU N N 15 119.599 0.3 . 1 . . . . . 43 LEU N . 52197 2 203 . 1 . 1 44 44 VAL C C 13 177.394 0.3 . 1 . . . . . 44 VAL C . 52197 2 204 . 1 . 1 44 44 VAL CA C 13 66.036 0.3 . 1 . . . . . 44 VAL CA . 52197 2 205 . 1 . 1 44 44 VAL CB C 13 29.667 0.3 . 1 . . . . . 44 VAL CB . 52197 2 206 . 1 . 1 44 44 VAL CG1 C 13 23.312 0.3 . 2 . . . . . 44 VAL CG1 . 52197 2 207 . 1 . 1 44 44 VAL CG2 C 13 21.823 0.3 . 2 . . . . . 44 VAL CG2 . 52197 2 208 . 1 . 1 44 44 VAL N N 15 119.984 0.3 . 1 . . . . . 44 VAL N . 52197 2 209 . 1 . 1 45 45 MET C C 13 178.51 0.3 . 1 . . . . . 45 MET C . 52197 2 210 . 1 . 1 45 45 MET CA C 13 58.178 0.3 . 1 . . . . . 45 MET CA . 52197 2 211 . 1 . 1 45 45 MET CB C 13 31.612 0.3 . 1 . . . . . 45 MET CB . 52197 2 212 . 1 . 1 45 45 MET CG C 13 29.457 0.3 . 1 . . . . . 45 MET CG . 52197 2 213 . 1 . 1 45 45 MET N N 15 121.088 0.3 . 1 . . . . . 45 MET N . 52197 2 214 . 1 . 1 46 46 VAL C C 13 177.331 0.3 . 1 . . . . . 46 VAL C . 52197 2 215 . 1 . 1 46 46 VAL CA C 13 66.031 0.3 . 1 . . . . . 46 VAL CA . 52197 2 216 . 1 . 1 46 46 VAL CB C 13 31.367 0.3 . 1 . . . . . 46 VAL CB . 52197 2 217 . 1 . 1 46 46 VAL CG1 C 13 23.209 0.3 . 2 . . . . . 46 VAL CG1 . 52197 2 218 . 1 . 1 46 46 VAL CG2 C 13 21.806 0.3 . 2 . . . . . 46 VAL CG2 . 52197 2 219 . 1 . 1 46 46 VAL N N 15 118.899 0.3 . 1 . . . . . 46 VAL N . 52197 2 220 . 1 . 1 47 47 LEU C C 13 178.007 0.3 . 1 . . . . . 47 LEU C . 52197 2 221 . 1 . 1 47 47 LEU CA C 13 58.3 0.3 . 1 . . . . . 47 LEU CA . 52197 2 222 . 1 . 1 47 47 LEU CB C 13 41.251 0.3 . 1 . . . . . 47 LEU CB . 52197 2 223 . 1 . 1 47 47 LEU CG C 13 27.093 0.3 . 1 . . . . . 47 LEU CG . 52197 2 224 . 1 . 1 47 47 LEU CD1 C 13 24.072 0.3 . 2 . . . . . 47 LEU CD1 . 52197 2 225 . 1 . 1 47 47 LEU CD2 C 13 23.102 0.3 . 2 . . . . . 47 LEU CD2 . 52197 2 226 . 1 . 1 47 47 LEU N N 15 120.372 0.3 . 1 . . . . . 47 LEU N . 52197 2 227 . 1 . 1 48 48 GLY C C 13 174.696 0.3 . 1 . . . . . 48 GLY C . 52197 2 228 . 1 . 1 48 48 GLY CA C 13 48.648 0.3 . 1 . . . . . 48 GLY CA . 52197 2 229 . 1 . 1 48 48 GLY N N 15 105.305 0.3 . 1 . . . . . 48 GLY N . 52197 2 230 . 1 . 1 49 49 LEU C C 13 178.809 0.3 . 1 . . . . . 49 LEU C . 52197 2 231 . 1 . 1 49 49 LEU CA C 13 57.749 0.3 . 1 . . . . . 49 LEU CA . 52197 2 232 . 1 . 1 49 49 LEU CB C 13 41.983 0.3 . 1 . . . . . 49 LEU CB . 52197 2 233 . 1 . 1 49 49 LEU CG C 13 26.447 0.3 . 1 . . . . . 49 LEU CG . 52197 2 234 . 1 . 1 49 49 LEU CD1 C 13 22.913 0.3 . 2 . . . . . 49 LEU CD1 . 52197 2 235 . 1 . 1 49 49 LEU N N 15 121.117 0.3 . 1 . . . . . 49 LEU N . 52197 2 236 . 1 . 1 50 50 ALA C C 13 177.476 0.3 . 1 . . . . . 50 ALA C . 52197 2 237 . 1 . 1 50 50 ALA CA C 13 55.307 0.3 . 1 . . . . . 50 ALA CA . 52197 2 238 . 1 . 1 50 50 ALA CB C 13 18.273 0.3 . 1 . . . . . 50 ALA CB . 52197 2 239 . 1 . 1 50 50 ALA N N 15 121.21 0.3 . 1 . . . . . 50 ALA N . 52197 2 240 . 1 . 1 51 51 LEU C C 13 179.17 0.3 . 1 . . . . . 51 LEU C . 52197 2 241 . 1 . 1 51 51 LEU CA C 13 58.037 0.3 . 1 . . . . . 51 LEU CA . 52197 2 242 . 1 . 1 51 51 LEU CB C 13 42.019 0.3 . 1 . . . . . 51 LEU CB . 52197 2 243 . 1 . 1 51 51 LEU CG C 13 26.483 0.3 . 1 . . . . . 51 LEU CG . 52197 2 244 . 1 . 1 51 51 LEU CD1 C 13 22.966 0.3 . 2 . . . . . 51 LEU CD1 . 52197 2 245 . 1 . 1 51 51 LEU N N 15 121.215 0.3 . 1 . . . . . 51 LEU N . 52197 2 246 . 1 . 1 52 52 TRP C C 13 179.973 0.3 . 1 . . . . . 52 TRP C . 52197 2 247 . 1 . 1 52 52 TRP CA C 13 59.758 0.3 . 1 . . . . . 52 TRP CA . 52197 2 248 . 1 . 1 52 52 TRP CB C 13 29.531 0.3 . 1 . . . . . 52 TRP CB . 52197 2 249 . 1 . 1 52 52 TRP N N 15 121.321 0.3 . 1 . . . . . 52 TRP N . 52197 2 250 . 1 . 1 53 53 LEU C C 13 178.803 0.3 . 1 . . . . . 53 LEU C . 52197 2 251 . 1 . 1 53 53 LEU CA C 13 58.788 0.3 . 1 . . . . . 53 LEU CA . 52197 2 252 . 1 . 1 53 53 LEU CB C 13 41.439 0.3 . 1 . . . . . 53 LEU CB . 52197 2 253 . 1 . 1 53 53 LEU CG C 13 26.328 0.3 . 1 . . . . . 53 LEU CG . 52197 2 254 . 1 . 1 53 53 LEU CD1 C 13 23.990 0.3 . 2 . . . . . 53 LEU CD1 . 52197 2 255 . 1 . 1 53 53 LEU N N 15 120.322 0.3 . 1 . . . . . 53 LEU N . 52197 2 256 . 1 . 1 54 54 ILE C C 13 177.403 0.3 . 1 . . . . . 54 ILE C . 52197 2 257 . 1 . 1 54 54 ILE CA C 13 66.01 0.3 . 1 . . . . . 54 ILE CA . 52197 2 258 . 1 . 1 54 54 ILE CB C 13 37.717 0.3 . 1 . . . . . 54 ILE CB . 52197 2 259 . 1 . 1 54 54 ILE CG1 C 13 31.451 0.3 . 1 . . . . . 54 ILE CG1 . 52197 2 260 . 1 . 1 54 54 ILE CG2 C 13 18.224 0.3 . 1 . . . . . 54 ILE CG2 . 52197 2 261 . 1 . 1 54 54 ILE N N 15 118.946 0.3 . 1 . . . . . 54 ILE N . 52197 2 262 . 1 . 1 55 55 TYR C C 13 179.397 0.3 . 1 . . . . . 55 TYR C . 52197 2 263 . 1 . 1 55 55 TYR CA C 13 62.202 0.3 . 1 . . . . . 55 TYR CA . 52197 2 264 . 1 . 1 55 55 TYR CB C 13 38.773 0.3 . 1 . . . . . 55 TYR CB . 52197 2 265 . 1 . 1 55 55 TYR N N 15 120.566 0.3 . 1 . . . . . 55 TYR N . 52197 2 266 . 1 . 1 56 56 GLY C C 13 175.273 0.3 . 1 . . . . . 56 GLY C . 52197 2 267 . 1 . 1 56 56 GLY CA C 13 47.932 0.3 . 1 . . . . . 56 GLY CA . 52197 2 268 . 1 . 1 56 56 GLY N N 15 109.303 0.3 . 1 . . . . . 56 GLY N . 52197 2 269 . 1 . 1 57 57 LEU C C 13 179.714 0.3 . 1 . . . . . 57 LEU C . 52197 2 270 . 1 . 1 57 57 LEU CA C 13 57.993 0.3 . 1 . . . . . 57 LEU CA . 52197 2 271 . 1 . 1 57 57 LEU CB C 13 42.301 0.3 . 1 . . . . . 57 LEU CB . 52197 2 272 . 1 . 1 57 57 LEU CG C 13 27.215 0.3 . 1 . . . . . 57 LEU CG . 52197 2 273 . 1 . 1 57 57 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 57 LEU CD1 . 52197 2 274 . 1 . 1 57 57 LEU N N 15 123.015 0.3 . 1 . . . . . 57 LEU N . 52197 2 275 . 1 . 1 58 58 LEU C C 13 178.398 0.3 . 1 . . . . . 58 LEU C . 52197 2 276 . 1 . 1 58 58 LEU CA C 13 57.066 0.3 . 1 . . . . . 58 LEU CA . 52197 2 277 . 1 . 1 58 58 LEU CB C 13 42.272 0.3 . 1 . . . . . 58 LEU CB . 52197 2 278 . 1 . 1 58 58 LEU CG C 13 26.846 0.3 . 1 . . . . . 58 LEU CG . 52197 2 279 . 1 . 1 58 58 LEU CD1 C 13 23.62 0.3 . 2 . . . . . 58 LEU CD1 . 52197 2 280 . 1 . 1 58 58 LEU CD2 C 13 22.768 0.3 . 2 . . . . . 58 LEU CD2 . 52197 2 281 . 1 . 1 58 58 LEU N N 15 117.496 0.3 . 1 . . . . . 58 LEU N . 52197 2 282 . 1 . 1 59 59 SER C C 13 174.917 0.3 . 1 . . . . . 59 SER C . 52197 2 283 . 1 . 1 59 59 SER CA C 13 58.46 0.3 . 1 . . . . . 59 SER CA . 52197 2 284 . 1 . 1 59 59 SER CB C 13 63.972 0.3 . 1 . . . . . 59 SER CB . 52197 2 285 . 1 . 1 59 59 SER N N 15 111.106 0.3 . 1 . . . . . 59 SER N . 52197 2 286 . 1 . 1 60 60 GLY C C 13 173.701 0.3 . 1 . . . . . 60 GLY C . 52197 2 287 . 1 . 1 60 60 GLY CA C 13 46.848 0.3 . 1 . . . . . 60 GLY CA . 52197 2 288 . 1 . 1 60 60 GLY N N 15 112.398 0.3 . 1 . . . . . 60 GLY N . 52197 2 289 . 1 . 1 61 61 ASP C C 13 174.005 0.3 . 1 . . . . . 61 ASP C . 52197 2 290 . 1 . 1 61 61 ASP CA C 13 53.424 0.3 . 1 . . . . . 61 ASP CA . 52197 2 291 . 1 . 1 61 61 ASP CB C 13 43.175 0.3 . 1 . . . . . 61 ASP CB . 52197 2 292 . 1 . 1 61 61 ASP CG C 13 179.925 0.3 . 1 . . . . . 61 ASP CG . 52197 2 293 . 1 . 1 61 61 ASP N N 15 121.806 0.3 . 1 . . . . . 61 ASP N . 52197 2 294 . 1 . 1 62 62 ALA C C 13 176.156 0.3 . 1 . . . . . 62 ALA C . 52197 2 295 . 1 . 1 62 62 ALA CA C 13 56.739 0.3 . 1 . . . . . 62 ALA CA . 52197 2 296 . 1 . 1 62 62 ALA CB C 13 17.189 0.3 . 1 . . . . . 62 ALA CB . 52197 2 297 . 1 . 1 62 62 ALA N N 15 127.437 0.3 . 1 . . . . . 62 ALA N . 52197 2 298 . 1 . 1 63 63 PRO C C 13 178.762 0.3 . 1 . . . . . 63 PRO C . 52197 2 299 . 1 . 1 63 63 PRO CA C 13 66.895 0.3 . 1 . . . . . 63 PRO CA . 52197 2 300 . 1 . 1 63 63 PRO CB C 13 30.913 0.3 . 1 . . . . . 63 PRO CB . 52197 2 301 . 1 . 1 63 63 PRO CG C 13 28.938 0.3 . 1 . . . . . 63 PRO CG . 52197 2 302 . 1 . 1 63 63 PRO CD C 13 49.672 0.3 . 1 . . . . . 63 PRO CD . 52197 2 303 . 1 . 1 63 63 PRO N N 15 134.657 0.3 . 1 . . . . . 63 PRO N . 52197 2 304 . 1 . 1 64 64 LEU C C 13 180.999 0.3 . 1 . . . . . 64 LEU C . 52197 2 305 . 1 . 1 64 64 LEU CA C 13 58.189 0.3 . 1 . . . . . 64 LEU CA . 52197 2 306 . 1 . 1 64 64 LEU CB C 13 42.102 0.3 . 1 . . . . . 64 LEU CB . 52197 2 307 . 1 . 1 64 64 LEU CG C 13 27.163 0.3 . 1 . . . . . 64 LEU CG . 52197 2 308 . 1 . 1 64 64 LEU N N 15 118.606 0.3 . 1 . . . . . 64 LEU N . 52197 2 309 . 1 . 1 65 65 ILE C C 13 176.797 0.3 . 1 . . . . . 65 ILE C . 52197 2 310 . 1 . 1 65 65 ILE CA C 13 65.451 0.3 . 1 . . . . . 65 ILE CA . 52197 2 311 . 1 . 1 65 65 ILE CB C 13 38.547 0.3 . 1 . . . . . 65 ILE CB . 52197 2 312 . 1 . 1 65 65 ILE CG1 C 13 29.517 0.3 . 1 . . . . . 65 ILE CG1 . 52197 2 313 . 1 . 1 65 65 ILE CG2 C 13 17.764 0.3 . 1 . . . . . 65 ILE CG2 . 52197 2 314 . 1 . 1 65 65 ILE CD1 C 13 15.091 0.3 . 1 . . . . . 65 ILE CD1 . 52197 2 315 . 1 . 1 65 65 ILE N N 15 121.607 0.3 . 1 . . . . . 65 ILE N . 52197 2 316 . 1 . 1 66 66 ALA C C 13 176.637 0.3 . 1 . . . . . 66 ALA C . 52197 2 317 . 1 . 1 66 66 ALA CA C 13 55.642 0.3 . 1 . . . . . 66 ALA CA . 52197 2 318 . 1 . 1 66 66 ALA CB C 13 19.034 0.3 . 1 . . . . . 66 ALA CB . 52197 2 319 . 1 . 1 66 66 ALA N N 15 118.878 0.3 . 1 . . . . . 66 ALA N . 52197 2 320 . 1 . 1 67 67 SER C C 13 176.49 0.3 . 1 . . . . . 67 SER C . 52197 2 321 . 1 . 1 67 67 SER CA C 13 65.446 0.3 . 1 . . . . . 67 SER CA . 52197 2 322 . 1 . 1 67 67 SER CB C 13 68.404 0.3 . 1 . . . . . 67 SER CB . 52197 2 323 . 1 . 1 67 67 SER N N 15 118.736 0.3 . 1 . . . . . 67 SER N . 52197 2 324 . 1 . 1 68 68 ASN C C 13 176.976 0.3 . 1 . . . . . 68 ASN C . 52197 2 325 . 1 . 1 68 68 ASN CA C 13 60.009 0.3 . 1 . . . . . 68 ASN CA . 52197 2 326 . 1 . 1 68 68 ASN CB C 13 37.878 0.3 . 1 . . . . . 68 ASN CB . 52197 2 327 . 1 . 1 68 68 ASN CG C 13 178.294 0.3 . 1 . . . . . 68 ASN CG . 52197 2 328 . 1 . 1 68 68 ASN N N 15 118.733 0.3 . 1 . . . . . 68 ASN N . 52197 2 329 . 1 . 1 68 68 ASN ND2 N 15 119.38 0.3 . 1 . . . . . 68 ASN ND2 . 52197 2 330 . 1 . 1 69 69 ALA C C 13 178.816 0.3 . 1 . . . . . 69 ALA C . 52197 2 331 . 1 . 1 69 69 ALA CA C 13 55.573 0.3 . 1 . . . . . 69 ALA CA . 52197 2 332 . 1 . 1 69 69 ALA CB C 13 18.974 0.3 . 1 . . . . . 69 ALA CB . 52197 2 333 . 1 . 1 69 69 ALA N N 15 118.768 0.3 . 1 . . . . . 69 ALA N . 52197 2 334 . 1 . 1 70 70 VAL C C 13 180.028 0.3 . 1 . . . . . 70 VAL C . 52197 2 335 . 1 . 1 70 70 VAL CA C 13 66.746 0.3 . 1 . . . . . 70 VAL CA . 52197 2 336 . 1 . 1 70 70 VAL CB C 13 31.602 0.3 . 1 . . . . . 70 VAL CB . 52197 2 337 . 1 . 1 70 70 VAL N N 15 115.465 0.3 . 1 . . . . . 70 VAL N . 52197 2 338 . 1 . 1 71 71 THR C C 13 175.903 0.3 . 1 . . . . . 71 THR C . 52197 2 339 . 1 . 1 71 71 THR CA C 13 65.382 0.3 . 1 . . . . . 71 THR CA . 52197 2 340 . 1 . 1 71 71 THR CB C 13 68.671 0.3 . 1 . . . . . 71 THR CB . 52197 2 341 . 1 . 1 71 71 THR N N 15 116.457 0.3 . 1 . . . . . 71 THR N . 52197 2 342 . 1 . 1 72 72 MET C C 13 177.752 0.3 . 1 . . . . . 72 MET C . 52197 2 343 . 1 . 1 72 72 MET CA C 13 64.485 0.3 . 1 . . . . . 72 MET CA . 52197 2 344 . 1 . 1 72 72 MET CB C 13 31.589 0.3 . 1 . . . . . 72 MET CB . 52197 2 345 . 1 . 1 72 72 MET N N 15 113.547 0.3 . 1 . . . . . 72 MET N . 52197 2 346 . 1 . 1 73 73 LEU C C 13 179.573 0.3 . 1 . . . . . 73 LEU C . 52197 2 347 . 1 . 1 73 73 LEU CA C 13 58.134 0.3 . 1 . . . . . 73 LEU CA . 52197 2 348 . 1 . 1 73 73 LEU CB C 13 42.476 0.3 . 1 . . . . . 73 LEU CB . 52197 2 349 . 1 . 1 73 73 LEU N N 15 122.038 0.3 . 1 . . . . . 73 LEU N . 52197 2 350 . 1 . 1 74 74 LEU C C 13 178.8 0.3 . 1 . . . . . 74 LEU C . 52197 2 351 . 1 . 1 74 74 LEU CA C 13 57.843 0.3 . 1 . . . . . 74 LEU CA . 52197 2 352 . 1 . 1 74 74 LEU CB C 13 41.859 0.3 . 1 . . . . . 74 LEU CB . 52197 2 353 . 1 . 1 74 74 LEU N N 15 117.159 0.3 . 1 . . . . . 74 LEU N . 52197 2 354 . 1 . 1 75 75 ALA C C 13 180.012 0.3 . 1 . . . . . 75 ALA C . 52197 2 355 . 1 . 1 75 75 ALA CA C 13 55.221 0.3 . 1 . . . . . 75 ALA CA . 52197 2 356 . 1 . 1 75 75 ALA CB C 13 17.577 0.3 . 1 . . . . . 75 ALA CB . 52197 2 357 . 1 . 1 75 75 ALA N N 15 121.118 0.3 . 1 . . . . . 75 ALA N . 52197 2 358 . 1 . 1 76 76 GLY C C 13 175.337 0.3 . 1 . . . . . 76 GLY C . 52197 2 359 . 1 . 1 76 76 GLY CA C 13 46.504 0.3 . 1 . . . . . 76 GLY CA . 52197 2 360 . 1 . 1 76 76 GLY N N 15 106.904 0.3 . 1 . . . . . 76 GLY N . 52197 2 361 . 1 . 1 77 77 GLY C C 13 175.154 0.3 . 1 . . . . . 77 GLY C . 52197 2 362 . 1 . 1 77 77 GLY CA C 13 47.861 0.3 . 1 . . . . . 77 GLY CA . 52197 2 363 . 1 . 1 77 77 GLY N N 15 109.262 0.3 . 1 . . . . . 77 GLY N . 52197 2 364 . 1 . 1 78 78 ILE C C 13 176.6 0.3 . 1 . . . . . 78 ILE C . 52197 2 365 . 1 . 1 78 78 ILE CA C 13 66.072 0.3 . 1 . . . . . 78 ILE CA . 52197 2 366 . 1 . 1 78 78 ILE CB C 13 37.475 0.3 . 1 . . . . . 78 ILE CB . 52197 2 367 . 1 . 1 78 78 ILE CG1 C 13 31.040 0.3 . 1 . . . . . 78 ILE CG1 . 52197 2 368 . 1 . 1 78 78 ILE CG2 C 13 16.530 0.3 . 1 . . . . . 78 ILE CG2 . 52197 2 369 . 1 . 1 78 78 ILE CD1 C 13 15.784 0.3 . 1 . . . . . 78 ILE CD1 . 52197 2 370 . 1 . 1 78 78 ILE N N 15 122.264 0.3 . 1 . . . . . 78 ILE N . 52197 2 371 . 1 . 1 79 79 LEU C C 13 178.769 0.3 . 1 . . . . . 79 LEU C . 52197 2 372 . 1 . 1 79 79 LEU CA C 13 58.586 0.3 . 1 . . . . . 79 LEU CA . 52197 2 373 . 1 . 1 79 79 LEU CB C 13 41.226 0.3 . 1 . . . . . 79 LEU CB . 52197 2 374 . 1 . 1 79 79 LEU N N 15 120.45 0.3 . 1 . . . . . 79 LEU N . 52197 2 375 . 1 . 1 80 80 VAL C C 13 178.12 0.3 . 1 . . . . . 80 VAL C . 52197 2 376 . 1 . 1 80 80 VAL CA C 13 66.045 0.3 . 1 . . . . . 80 VAL CA . 52197 2 377 . 1 . 1 80 80 VAL CB C 13 31.483 0.3 . 1 . . . . . 80 VAL CB . 52197 2 378 . 1 . 1 80 80 VAL N N 15 118.927 0.3 . 1 . . . . . 80 VAL N . 52197 2 379 . 1 . 1 81 81 MET C C 13 179.719 0.3 . 1 . . . . . 81 MET C . 52197 2 380 . 1 . 1 81 81 MET CA C 13 58.1 0.3 . 1 . . . . . 81 MET CA . 52197 2 381 . 1 . 1 81 81 MET CB C 13 31.719 0.3 . 1 . . . . . 81 MET CB . 52197 2 382 . 1 . 1 81 81 MET CG C 13 29.432 0.3 . 1 . . . . . 81 MET CG . 52197 2 383 . 1 . 1 81 81 MET N N 15 122.015 0.3 . 1 . . . . . 81 MET N . 52197 2 384 . 1 . 1 82 82 LYS C C 13 179.726 0.3 . 1 . . . . . 82 LYS C . 52197 2 385 . 1 . 1 82 82 LYS CA C 13 57.979 0.3 . 1 . . . . . 82 LYS CA . 52197 2 386 . 1 . 1 82 82 LYS CB C 13 26.38 0.3 . 1 . . . . . 82 LYS CB . 52197 2 387 . 1 . 1 82 82 LYS N N 15 117.125 0.3 . 1 . . . . . 82 LYS N . 52197 2 388 . 1 . 1 83 83 LEU C C 13 178.004 0.3 . 1 . . . . . 83 LEU C . 52197 2 389 . 1 . 1 83 83 LEU CA C 13 58.595 0.3 . 1 . . . . . 83 LEU CA . 52197 2 390 . 1 . 1 83 83 LEU CB C 13 42.845 0.3 . 1 . . . . . 83 LEU CB . 52197 2 391 . 1 . 1 83 83 LEU N N 15 120.582 0.3 . 1 . . . . . 83 LEU N . 52197 2 392 . 1 . 1 84 84 ARG C C 13 178.78 0.3 . 1 . . . . . 84 ARG C . 52197 2 393 . 1 . 1 84 84 ARG CA C 13 57.311 0.3 . 1 . . . . . 84 ARG CA . 52197 2 394 . 1 . 1 84 84 ARG CB C 13 31.237 0.3 . 1 . . . . . 84 ARG CB . 52197 2 395 . 1 . 1 84 84 ARG N N 15 117.054 0.3 . 1 . . . . . 84 ARG N . 52197 2 stop_ save_