################################### # 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 52367 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'The backbone assignment of disordered protein D131D' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52367 1 2 '3D CBCANH' . . . 52367 1 3 '3D CBCA(CO)NH' . . . 52367 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 . . 52367 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA H H 1 8.5829 0.0000 . 1 . . . . . 1 ALA H . 52367 1 2 . 1 . 1 1 1 ALA CA C 13 52.5884 0.0000 . 1 . . . . . 1 ALA CA . 52367 1 3 . 1 . 1 1 1 ALA CB C 13 19.1527 0.0000 . 1 . . . . . 1 ALA CB . 52367 1 4 . 1 . 1 1 1 ALA N N 15 126.3982 0.0000 . 1 . . . . . 1 ALA N . 52367 1 5 . 1 . 1 2 2 THR H H 1 8.2660 0.0000 . 1 . . . . . 2 THR H . 52367 1 6 . 1 . 1 2 2 THR CA C 13 61.8913 0.0000 . 1 . . . . . 2 THR CA . 52367 1 7 . 1 . 1 2 2 THR CB C 13 69.8148 0.0000 . 1 . . . . . 2 THR CB . 52367 1 8 . 1 . 1 2 2 THR N N 15 114.0247 0.0000 . 1 . . . . . 2 THR N . 52367 1 9 . 1 . 1 3 3 SER H H 1 8.4092 0.0000 . 1 . . . . . 3 SER H . 52367 1 10 . 1 . 1 3 3 SER CA C 13 58.4146 0.0000 . 1 . . . . . 3 SER CA . 52367 1 11 . 1 . 1 3 3 SER CB C 13 63.8422 0.0000 . 1 . . . . . 3 SER CB . 52367 1 12 . 1 . 1 3 3 SER N N 15 118.1638 0.0000 . 1 . . . . . 3 SER N . 52367 1 13 . 1 . 1 4 4 THR H H 1 8.3026 0.0000 . 1 . . . . . 4 THR H . 52367 1 14 . 1 . 1 4 4 THR CA C 13 62.1241 0.0000 . 1 . . . . . 4 THR CA . 52367 1 15 . 1 . 1 4 4 THR CB C 13 69.5862 0.0000 . 1 . . . . . 4 THR CB . 52367 1 16 . 1 . 1 4 4 THR N N 15 116.9334 0.0000 . 1 . . . . . 4 THR N . 52367 1 17 . 1 . 1 5 5 LEU H H 1 8.2300 0.0000 . 1 . . . . . 5 LEU H . 52367 1 18 . 1 . 1 5 5 LEU CA C 13 55.3264 0.0000 . 1 . . . . . 5 LEU CA . 52367 1 19 . 1 . 1 5 5 LEU CB C 13 42.3131 0.0000 . 1 . . . . . 5 LEU CB . 52367 1 20 . 1 . 1 5 5 LEU N N 15 124.8528 0.0000 . 1 . . . . . 5 LEU N . 52367 1 21 . 1 . 1 6 6 ILE H H 1 8.1982 0.0000 . 1 . . . . . 6 ILE H . 52367 1 22 . 1 . 1 6 6 ILE CA C 13 60.8040 0.0000 . 1 . . . . . 6 ILE CA . 52367 1 23 . 1 . 1 6 6 ILE CB C 13 38.4125 0.0000 . 1 . . . . . 6 ILE CB . 52367 1 24 . 1 . 1 6 6 ILE N N 15 123.1778 0.0000 . 1 . . . . . 6 ILE N . 52367 1 25 . 1 . 1 7 7 LYS H H 1 8.4341 0.0000 . 1 . . . . . 7 LYS H . 52367 1 26 . 1 . 1 7 7 LYS CA C 13 55.9753 0.0000 . 1 . . . . . 7 LYS CA . 52367 1 27 . 1 . 1 7 7 LYS CB C 13 33.1434 0.0000 . 1 . . . . . 7 LYS CB . 52367 1 28 . 1 . 1 7 7 LYS N N 15 126.7049 0.0000 . 1 . . . . . 7 LYS N . 52367 1 29 . 1 . 1 8 8 ALA H H 1 8.4440 0.0000 . 1 . . . . . 8 ALA H . 52367 1 30 . 1 . 1 8 8 ALA CA C 13 52.3703 0.0000 . 1 . . . . . 8 ALA CA . 52367 1 31 . 1 . 1 8 8 ALA CB C 13 19.2536 0.0000 . 1 . . . . . 8 ALA CB . 52367 1 32 . 1 . 1 8 8 ALA N N 15 126.7371 0.0000 . 1 . . . . . 8 ALA N . 52367 1 33 . 1 . 1 9 9 ILE CA C 13 61.1445 0.0000 . 1 . . . . . 9 ILE CA . 52367 1 34 . 1 . 1 9 9 ILE CB C 13 38.8430 0.0000 . 1 . . . . . 9 ILE CB . 52367 1 35 . 1 . 1 10 10 ASP H H 1 8.4368 0.0000 . 1 . . . . . 10 ASP H . 52367 1 36 . 1 . 1 10 10 ASP CA C 13 54.2508 0.0000 . 1 . . . . . 10 ASP CA . 52367 1 37 . 1 . 1 10 10 ASP CB C 13 41.1393 0.0000 . 1 . . . . . 10 ASP CB . 52367 1 38 . 1 . 1 10 10 ASP N N 15 124.5424 0.0000 . 1 . . . . . 10 ASP N . 52367 1 39 . 1 . 1 11 11 GLY H H 1 8.4149 0.0000 . 1 . . . . . 11 GLY H . 52367 1 40 . 1 . 1 11 11 GLY CA C 13 45.5253 0.0000 . 1 . . . . . 11 GLY CA . 52367 1 41 . 1 . 1 11 11 GLY N N 15 109.7179 0.0000 . 1 . . . . . 11 GLY N . 52367 1 42 . 1 . 1 12 12 ASP H H 1 8.3326 0.0000 . 1 . . . . . 12 ASP H . 52367 1 43 . 1 . 1 12 12 ASP CA C 13 54.4743 0.0000 . 1 . . . . . 12 ASP CA . 52367 1 44 . 1 . 1 12 12 ASP CB C 13 41.1365 0.0000 . 1 . . . . . 12 ASP CB . 52367 1 45 . 1 . 1 12 12 ASP N N 15 120.5516 0.0000 . 1 . . . . . 12 ASP N . 52367 1 46 . 1 . 1 13 13 THR H H 1 8.1363 0.0000 . 1 . . . . . 13 THR H . 52367 1 47 . 1 . 1 13 13 THR CA C 13 62.3864 0.0000 . 1 . . . . . 13 THR CA . 52367 1 48 . 1 . 1 13 13 THR CB C 13 69.7509 0.0000 . 1 . . . . . 13 THR CB . 52367 1 49 . 1 . 1 13 13 THR N N 15 114.8959 0.0000 . 1 . . . . . 13 THR N . 52367 1 50 . 1 . 1 14 14 VAL H H 1 8.1995 0.0000 . 1 . . . . . 14 VAL H . 52367 1 51 . 1 . 1 14 14 VAL CA C 13 62.5773 0.0000 . 1 . . . . . 14 VAL CA . 52367 1 52 . 1 . 1 14 14 VAL CB C 13 32.7003 0.0000 . 1 . . . . . 14 VAL CB . 52367 1 53 . 1 . 1 14 14 VAL N N 15 123.7854 0.0000 . 1 . . . . . 14 VAL N . 52367 1 54 . 1 . 1 16 16 LEU CA C 13 55.2126 0.0000 . 1 . . . . . 16 LEU CA . 52367 1 55 . 1 . 1 16 16 LEU CB C 13 42.0332 0.0000 . 1 . . . . . 16 LEU CB . 52367 1 56 . 1 . 1 17 17 MET H H 1 7.9557 0.0000 . 1 . . . . . 17 MET H . 52367 1 57 . 1 . 1 17 17 MET CA C 13 56.7611 0.0000 . 1 . . . . . 17 MET CA . 52367 1 58 . 1 . 1 17 17 MET CB C 13 33.7205 0.0000 . 1 . . . . . 17 MET CB . 52367 1 59 . 1 . 1 17 17 MET N N 15 126.1018 0.0000 . 1 . . . . . 17 MET N . 52367 1 60 . 1 . 1 18 18 TYR H H 1 8.3295 0.0000 . 1 . . . . . 18 TYR H . 52367 1 61 . 1 . 1 18 18 TYR CA C 13 57.6280 0.0000 . 1 . . . . . 18 TYR CA . 52367 1 62 . 1 . 1 18 18 TYR CB C 13 39.0551 0.0000 . 1 . . . . . 18 TYR CB . 52367 1 63 . 1 . 1 18 18 TYR N N 15 121.6630 0.0000 . 1 . . . . . 18 TYR N . 52367 1 64 . 1 . 1 20 20 GLY CA C 13 44.5232 0.0000 . 1 . . . . . 20 GLY CA . 52367 1 65 . 1 . 1 20 20 GLY N N 15 120.9387 0.0000 . 1 . . . . . 20 GLY N . 52367 1 66 . 1 . 1 21 21 GLN H H 1 8.0928 0.0000 . 1 . . . . . 21 GLN H . 52367 1 67 . 1 . 1 21 21 GLN CA C 13 53.7009 0.0000 . 1 . . . . . 21 GLN CA . 52367 1 68 . 1 . 1 21 21 GLN CB C 13 28.5698 0.0000 . 1 . . . . . 21 GLN CB . 52367 1 69 . 1 . 1 21 21 GLN N N 15 120.9387 0.0000 . 1 . . . . . 21 GLN N . 52367 1 70 . 1 . 1 23 23 MET H H 1 8.3179 0.0000 . 1 . . . . . 23 MET H . 52367 1 71 . 1 . 1 23 23 MET CA C 13 44.3359 0.0000 . 1 . . . . . 23 MET CA . 52367 1 72 . 1 . 1 23 23 MET CB C 13 32.8770 0.0000 . 1 . . . . . 23 MET CB . 52367 1 73 . 1 . 1 23 23 MET N N 15 122.1520 0.0000 . 1 . . . . . 23 MET N . 52367 1 74 . 1 . 1 24 24 THR H H 1 8.0358 0.0000 . 1 . . . . . 24 THR H . 52367 1 75 . 1 . 1 24 24 THR CA C 13 61.7172 0.0000 . 1 . . . . . 24 THR CA . 52367 1 76 . 1 . 1 24 24 THR CB C 13 69.8991 0.0000 . 1 . . . . . 24 THR CB . 52367 1 77 . 1 . 1 24 24 THR N N 15 115.0364 0.0000 . 1 . . . . . 24 THR N . 52367 1 78 . 1 . 1 25 25 PHE CA C 13 57.9133 0.0000 . 1 . . . . . 25 PHE CA . 52367 1 79 . 1 . 1 25 25 PHE CB C 13 39.6745 0.0000 . 1 . . . . . 25 PHE CB . 52367 1 80 . 1 . 1 26 26 ARG H H 1 8.1484 0.0000 . 1 . . . . . 26 ARG H . 52367 1 81 . 1 . 1 26 26 ARG CA C 13 55.8013 0.0000 . 1 . . . . . 26 ARG CA . 52367 1 82 . 1 . 1 26 26 ARG CB C 13 31.0303 0.0000 . 1 . . . . . 26 ARG CB . 52367 1 83 . 1 . 1 26 26 ARG N N 15 123.2137 0.0000 . 1 . . . . . 26 ARG N . 52367 1 84 . 1 . 1 29 29 LEU H H 1 8.1188 0.0000 . 1 . . . . . 29 LEU H . 52367 1 85 . 1 . 1 29 29 LEU CA C 13 54.9753 0.0000 . 1 . . . . . 29 LEU CA . 52367 1 86 . 1 . 1 29 29 LEU CB C 13 42.0663 0.0000 . 1 . . . . . 29 LEU CB . 52367 1 87 . 1 . 1 29 29 LEU N N 15 120.8455 0.0000 . 1 . . . . . 29 LEU N . 52367 1 88 . 1 . 1 30 30 VAL H H 1 8.1199 0.0000 . 1 . . . . . 30 VAL H . 52367 1 89 . 1 . 1 30 30 VAL CA C 13 62.0087 0.0000 . 1 . . . . . 30 VAL CA . 52367 1 90 . 1 . 1 30 30 VAL CB C 13 33.0922 0.0000 . 1 . . . . . 30 VAL CB . 52367 1 91 . 1 . 1 30 30 VAL N N 15 120.5228 0.0000 . 1 . . . . . 30 VAL N . 52367 1 92 . 1 . 1 31 31 ASP H H 1 8.4635 0.0000 . 1 . . . . . 31 ASP H . 52367 1 93 . 1 . 1 31 31 ASP CA C 13 54.2335 0.0000 . 1 . . . . . 31 ASP CA . 52367 1 94 . 1 . 1 31 31 ASP CB C 13 41.2925 0.0000 . 1 . . . . . 31 ASP CB . 52367 1 95 . 1 . 1 31 31 ASP N N 15 124.4796 0.0000 . 1 . . . . . 31 ASP N . 52367 1 96 . 1 . 1 32 32 THR H H 1 8.2020 0.0000 . 1 . . . . . 32 THR H . 52367 1 97 . 1 . 1 32 32 THR CA C 13 62.3510 0.0000 . 1 . . . . . 32 THR CA . 52367 1 98 . 1 . 1 32 32 THR CB C 13 69.6482 0.0000 . 1 . . . . . 32 THR CB . 52367 1 99 . 1 . 1 32 32 THR N N 15 116.5759 0.0000 . 1 . . . . . 32 THR N . 52367 1 100 . 1 . 1 33 33 PRO CA C 13 63.5985 0.0000 . 1 . . . . . 33 PRO CA . 52367 1 101 . 1 . 1 33 33 PRO CB C 13 32.1060 0.0000 . 1 . . . . . 33 PRO CB . 52367 1 102 . 1 . 1 34 34 GLU H H 1 8.5859 0.0000 . 1 . . . . . 34 GLU H . 52367 1 103 . 1 . 1 34 34 GLU CA C 13 56.8546 0.0000 . 1 . . . . . 34 GLU CA . 52367 1 104 . 1 . 1 34 34 GLU CB C 13 30.0363 0.0000 . 1 . . . . . 34 GLU CB . 52367 1 105 . 1 . 1 34 34 GLU N N 15 120.5246 0.0000 . 1 . . . . . 34 GLU N . 52367 1 106 . 1 . 1 35 35 THR CA C 13 62.3139 0.0000 . 1 . . . . . 35 THR CA . 52367 1 107 . 1 . 1 35 35 THR CB C 13 69.6378 0.0000 . 1 . . . . . 35 THR CB . 52367 1 108 . 1 . 1 36 36 LYS H H 1 8.3842 0.0000 . 1 . . . . . 36 LYS H . 52367 1 109 . 1 . 1 36 36 LYS CA C 13 56.0741 0.0000 . 1 . . . . . 36 LYS CA . 52367 1 110 . 1 . 1 36 36 LYS CB C 13 32.9614 0.0000 . 1 . . . . . 36 LYS CB . 52367 1 111 . 1 . 1 36 36 LYS N N 15 124.2871 0.0000 . 1 . . . . . 36 LYS N . 52367 1 112 . 1 . 1 37 37 HIS H H 1 8.4718 0.0000 . 1 . . . . . 37 HIS H . 52367 1 113 . 1 . 1 37 37 HIS CA C 13 53.2925 0.0000 . 1 . . . . . 37 HIS CA . 52367 1 114 . 1 . 1 37 37 HIS CB C 13 29.0252 0.0000 . 1 . . . . . 37 HIS CB . 52367 1 115 . 1 . 1 37 37 HIS N N 15 120.2401 0.0000 . 1 . . . . . 37 HIS N . 52367 1 116 . 1 . 1 38 38 PRO CA C 13 63.0321 0.0000 . 1 . . . . . 38 PRO CA . 52367 1 117 . 1 . 1 38 38 PRO CB C 13 32.4822 0.0000 . 1 . . . . . 38 PRO CB . 52367 1 118 . 1 . 1 39 39 LYS H H 1 8.6137 0.0000 . 1 . . . . . 39 LYS H . 52367 1 119 . 1 . 1 39 39 LYS CA C 13 56.3393 0.0000 . 1 . . . . . 39 LYS CA . 52367 1 120 . 1 . 1 39 39 LYS CB C 13 33.0341 0.0000 . 1 . . . . . 39 LYS CB . 52367 1 121 . 1 . 1 39 39 LYS N N 15 122.5928 0.0000 . 1 . . . . . 39 LYS N . 52367 1 122 . 1 . 1 40 40 LYS H H 1 8.4931 0.0000 . 1 . . . . . 40 LYS H . 52367 1 123 . 1 . 1 40 40 LYS CA C 13 56.4365 0.0000 . 1 . . . . . 40 LYS CA . 52367 1 124 . 1 . 1 40 40 LYS CB C 13 33.1816 0.0000 . 1 . . . . . 40 LYS CB . 52367 1 125 . 1 . 1 40 40 LYS N N 15 123.6043 0.0000 . 1 . . . . . 40 LYS N . 52367 1 126 . 1 . 1 41 41 GLY H H 1 8.5655 0.0000 . 1 . . . . . 41 GLY H . 52367 1 127 . 1 . 1 41 41 GLY CA C 13 45.0708 0.0000 . 1 . . . . . 41 GLY CA . 52367 1 128 . 1 . 1 41 41 GLY N N 15 111.3264 0.0000 . 1 . . . . . 41 GLY N . 52367 1 129 . 1 . 1 42 42 VAL H H 1 8.1005 0.0000 . 1 . . . . . 42 VAL H . 52367 1 130 . 1 . 1 42 42 VAL CA C 13 62.2805 0.0000 . 1 . . . . . 42 VAL CA . 52367 1 131 . 1 . 1 42 42 VAL CB C 13 32.6287 0.0000 . 1 . . . . . 42 VAL CB . 52367 1 132 . 1 . 1 42 42 VAL N N 15 119.2644 0.0000 . 1 . . . . . 42 VAL N . 52367 1 133 . 1 . 1 43 43 GLU H H 1 8.5894 0.0000 . 1 . . . . . 43 GLU H . 52367 1 134 . 1 . 1 43 43 GLU CA C 13 56.5218 0.0000 . 1 . . . . . 43 GLU CA . 52367 1 135 . 1 . 1 43 43 GLU CB C 13 30.1005 0.0000 . 1 . . . . . 43 GLU CB . 52367 1 136 . 1 . 1 43 43 GLU N N 15 125.0862 0.0000 . 1 . . . . . 43 GLU N . 52367 1 137 . 1 . 1 44 44 LYS H H 1 8.3046 0.0000 . 1 . . . . . 44 LYS H . 52367 1 138 . 1 . 1 44 44 LYS CA C 13 56.3709 0.0000 . 1 . . . . . 44 LYS CA . 52367 1 139 . 1 . 1 44 44 LYS CB C 13 33.1888 0.0000 . 1 . . . . . 44 LYS CB . 52367 1 140 . 1 . 1 44 44 LYS N N 15 122.6397 0.0000 . 1 . . . . . 44 LYS N . 52367 1 141 . 1 . 1 45 45 TYR H H 1 8.3033 0.0000 . 1 . . . . . 45 TYR H . 52367 1 142 . 1 . 1 45 45 TYR CA C 13 57.3317 0.0000 . 1 . . . . . 45 TYR CA . 52367 1 143 . 1 . 1 45 45 TYR CB C 13 39.1911 0.0000 . 1 . . . . . 45 TYR CB . 52367 1 144 . 1 . 1 45 45 TYR N N 15 120.9125 0.0000 . 1 . . . . . 45 TYR N . 52367 1 145 . 1 . 1 46 46 GLY H H 1 8.2926 0.0000 . 1 . . . . . 46 GLY H . 52367 1 146 . 1 . 1 46 46 GLY CA C 13 44.5975 0.0000 . 1 . . . . . 46 GLY CA . 52367 1 147 . 1 . 1 46 46 GLY N N 15 110.7070 0.0000 . 1 . . . . . 46 GLY N . 52367 1 148 . 1 . 1 47 47 PRO CA C 13 63.5198 0.0000 . 1 . . . . . 47 PRO CA . 52367 1 149 . 1 . 1 47 47 PRO CB C 13 32.0494 0.0000 . 1 . . . . . 47 PRO CB . 52367 1 150 . 1 . 1 48 48 GLU H H 1 8.6992 0.0000 . 1 . . . . . 48 GLU H . 52367 1 151 . 1 . 1 48 48 GLU CA C 13 56.8648 0.0000 . 1 . . . . . 48 GLU CA . 52367 1 152 . 1 . 1 48 48 GLU CB C 13 29.6822 0.0000 . 1 . . . . . 48 GLU CB . 52367 1 153 . 1 . 1 48 48 GLU N N 15 120.5407 0.0000 . 1 . . . . . 48 GLU N . 52367 1 154 . 1 . 1 49 49 ALA H H 1 8.2728 0.0000 . 1 . . . . . 49 ALA H . 52367 1 155 . 1 . 1 49 49 ALA CA C 13 52.9747 0.0000 . 1 . . . . . 49 ALA CA . 52367 1 156 . 1 . 1 49 49 ALA CB C 13 18.9677 0.0000 . 1 . . . . . 49 ALA CB . 52367 1 157 . 1 . 1 49 49 ALA N N 15 125.0961 0.0000 . 1 . . . . . 49 ALA N . 52367 1 158 . 1 . 1 50 50 SER H H 1 8.2728 0.0000 . 1 . . . . . 50 SER H . 52367 1 159 . 1 . 1 50 50 SER CA C 13 58.6165 0.0000 . 1 . . . . . 50 SER CA . 52367 1 160 . 1 . 1 50 50 SER CB C 13 63.7274 0.0000 . 1 . . . . . 50 SER CB . 52367 1 161 . 1 . 1 50 50 SER N N 15 114.9362 0.0000 . 1 . . . . . 50 SER N . 52367 1 162 . 1 . 1 51 51 ALA H H 1 8.2728 0.0000 . 1 . . . . . 51 ALA H . 52367 1 163 . 1 . 1 51 51 ALA CA C 13 52.9747 0.0000 . 1 . . . . . 51 ALA CA . 52367 1 164 . 1 . 1 51 51 ALA CB C 13 18.9677 0.0000 . 1 . . . . . 51 ALA CB . 52367 1 165 . 1 . 1 51 51 ALA N N 15 125.3575 0.0000 . 1 . . . . . 51 ALA N . 52367 1 166 . 1 . 1 52 52 PHE H H 1 8.1108 0.0000 . 1 . . . . . 52 PHE H . 52367 1 167 . 1 . 1 52 52 PHE CA C 13 58.1951 0.0000 . 1 . . . . . 52 PHE CA . 52367 1 168 . 1 . 1 52 52 PHE CB C 13 39.3717 0.0000 . 1 . . . . . 52 PHE CB . 52367 1 169 . 1 . 1 52 52 PHE N N 15 118.6618 0.0000 . 1 . . . . . 52 PHE N . 52367 1 170 . 1 . 1 53 53 THR H H 1 7.9484 0.0000 . 1 . . . . . 53 THR H . 52367 1 171 . 1 . 1 53 53 THR CA C 13 62.4121 0.0000 . 1 . . . . . 53 THR CA . 52367 1 172 . 1 . 1 53 53 THR CB C 13 69.7642 0.0000 . 1 . . . . . 53 THR CB . 52367 1 173 . 1 . 1 53 53 THR N N 15 116.2048 0.0000 . 1 . . . . . 53 THR N . 52367 1 174 . 1 . 1 54 54 LYS H H 1 8.2554 0.0000 . 1 . . . . . 54 LYS H . 52367 1 175 . 1 . 1 54 54 LYS CA C 13 56.9008 0.0000 . 1 . . . . . 54 LYS CA . 52367 1 176 . 1 . 1 54 54 LYS CB C 13 32.9061 0.0000 . 1 . . . . . 54 LYS CB . 52367 1 177 . 1 . 1 54 54 LYS N N 15 123.8698 0.0000 . 1 . . . . . 54 LYS N . 52367 1 178 . 1 . 1 55 55 LYS H H 1 8.2775 0.0000 . 1 . . . . . 55 LYS H . 52367 1 179 . 1 . 1 55 55 LYS CA C 13 56.6690 0.0000 . 1 . . . . . 55 LYS CA . 52367 1 180 . 1 . 1 55 55 LYS CB C 13 32.8815 0.0000 . 1 . . . . . 55 LYS CB . 52367 1 181 . 1 . 1 55 55 LYS N N 15 122.7085 0.0000 . 1 . . . . . 55 LYS N . 52367 1 182 . 1 . 1 56 56 MET H H 1 8.3707 0.0000 . 1 . . . . . 56 MET H . 52367 1 183 . 1 . 1 56 56 MET CA C 13 55.7380 0.0000 . 1 . . . . . 56 MET CA . 52367 1 184 . 1 . 1 56 56 MET CB C 13 32.7447 0.0000 . 1 . . . . . 56 MET CB . 52367 1 185 . 1 . 1 56 56 MET N N 15 122.3166 0.0000 . 1 . . . . . 56 MET N . 52367 1 186 . 1 . 1 57 57 VAL H H 1 8.2070 0.0000 . 1 . . . . . 57 VAL H . 52367 1 187 . 1 . 1 57 57 VAL CA C 13 62.7515 0.0000 . 1 . . . . . 57 VAL CA . 52367 1 188 . 1 . 1 57 57 VAL CB C 13 32.6707 0.0000 . 1 . . . . . 57 VAL CB . 52367 1 189 . 1 . 1 57 57 VAL N N 15 121.9731 0.0000 . 1 . . . . . 57 VAL N . 52367 1 190 . 1 . 1 58 58 GLU H H 1 8.5123 0.0000 . 1 . . . . . 58 GLU H . 52367 1 191 . 1 . 1 58 58 GLU CA C 13 56.7741 0.0000 . 1 . . . . . 58 GLU CA . 52367 1 192 . 1 . 1 58 58 GLU CB C 13 30.2617 0.0000 . 1 . . . . . 58 GLU CB . 52367 1 193 . 1 . 1 58 58 GLU N N 15 124.6413 0.0000 . 1 . . . . . 58 GLU N . 52367 1 194 . 1 . 1 59 59 ASN H H 1 8.5289 0.0000 . 1 . . . . . 59 ASN H . 52367 1 195 . 1 . 1 59 59 ASN CA C 13 53.3195 0.0000 . 1 . . . . . 59 ASN CA . 52367 1 196 . 1 . 1 59 59 ASN CB C 13 38.7694 0.0000 . 1 . . . . . 59 ASN CB . 52367 1 197 . 1 . 1 59 59 ASN N N 15 120.1111 0.0000 . 1 . . . . . 59 ASN N . 52367 1 198 . 1 . 1 60 60 ALA H H 1 8.2373 0.0000 . 1 . . . . . 60 ALA H . 52367 1 199 . 1 . 1 60 60 ALA CA C 13 52.6922 0.0000 . 1 . . . . . 60 ALA CA . 52367 1 200 . 1 . 1 60 60 ALA CB C 13 19.1629 0.0000 . 1 . . . . . 60 ALA CB . 52367 1 201 . 1 . 1 60 60 ALA N N 15 124.3034 0.0000 . 1 . . . . . 60 ALA N . 52367 1 202 . 1 . 1 61 61 LYS H H 1 8.2801 0.0000 . 1 . . . . . 61 LYS H . 52367 1 203 . 1 . 1 61 61 LYS CA C 13 56.2990 0.0000 . 1 . . . . . 61 LYS CA . 52367 1 204 . 1 . 1 61 61 LYS CB C 13 32.8750 0.0000 . 1 . . . . . 61 LYS CB . 52367 1 205 . 1 . 1 61 61 LYS N N 15 121.3240 0.0000 . 1 . . . . . 61 LYS N . 52367 1 206 . 1 . 1 62 62 LYS H H 1 8.4740 0.0000 . 1 . . . . . 62 LYS H . 52367 1 207 . 1 . 1 62 62 LYS CA C 13 56.6422 0.0000 . 1 . . . . . 62 LYS CA . 52367 1 208 . 1 . 1 62 62 LYS CB C 13 33.3701 0.0000 . 1 . . . . . 62 LYS CB . 52367 1 209 . 1 . 1 62 62 LYS N N 15 124.5811 0.0000 . 1 . . . . . 62 LYS N . 52367 1 210 . 1 . 1 63 63 ILE H H 1 8.3618 0.0000 . 1 . . . . . 63 ILE H . 52367 1 211 . 1 . 1 63 63 ILE CA C 13 61.4057 0.0000 . 1 . . . . . 63 ILE CA . 52367 1 212 . 1 . 1 63 63 ILE CB C 13 33.4711 0.0000 . 1 . . . . . 63 ILE CB . 52367 1 213 . 1 . 1 63 63 ILE N N 15 124.0317 0.0000 . 1 . . . . . 63 ILE N . 52367 1 214 . 1 . 1 64 64 GLU H H 1 8.5590 0.0000 . 1 . . . . . 64 GLU H . 52367 1 215 . 1 . 1 64 64 GLU CA C 13 56.3723 0.0000 . 1 . . . . . 64 GLU CA . 52367 1 216 . 1 . 1 64 64 GLU CB C 13 30.7288 0.0000 . 1 . . . . . 64 GLU CB . 52367 1 217 . 1 . 1 64 64 GLU N N 15 126.2532 0.0000 . 1 . . . . . 64 GLU N . 52367 1 218 . 1 . 1 65 65 VAL H H 1 8.2827 0.0000 . 1 . . . . . 65 VAL H . 52367 1 219 . 1 . 1 65 65 VAL CA C 13 62.7607 0.0000 . 1 . . . . . 65 VAL CA . 52367 1 220 . 1 . 1 65 65 VAL CB C 13 30.6787 0.0000 . 1 . . . . . 65 VAL CB . 52367 1 221 . 1 . 1 65 65 VAL N N 15 121.6618 0.0000 . 1 . . . . . 65 VAL N . 52367 1 222 . 1 . 1 66 66 GLU H H 1 8.4864 0.0000 . 1 . . . . . 66 GLU H . 52367 1 223 . 1 . 1 66 66 GLU CA C 13 56.6400 0.0000 . 1 . . . . . 66 GLU CA . 52367 1 224 . 1 . 1 66 66 GLU CB C 13 30.6809 0.0000 . 1 . . . . . 66 GLU CB . 52367 1 225 . 1 . 1 66 66 GLU N N 15 124.6655 0.0000 . 1 . . . . . 66 GLU N . 52367 1 226 . 1 . 1 67 67 PHE H H 1 8.3284 0.0000 . 1 . . . . . 67 PHE H . 52367 1 227 . 1 . 1 67 67 PHE CA C 13 58.1320 0.0000 . 1 . . . . . 67 PHE CA . 52367 1 228 . 1 . 1 67 67 PHE CB C 13 40.0312 0.0000 . 1 . . . . . 67 PHE CB . 52367 1 229 . 1 . 1 67 67 PHE N N 15 121.7214 0.0000 . 1 . . . . . 67 PHE N . 52367 1 230 . 1 . 1 68 68 ASP H H 1 8.3735 0.0000 . 1 . . . . . 68 ASP H . 52367 1 231 . 1 . 1 68 68 ASP CA C 13 54.3930 0.0000 . 1 . . . . . 68 ASP CA . 52367 1 232 . 1 . 1 68 68 ASP CB C 13 41.4399 0.0000 . 1 . . . . . 68 ASP CB . 52367 1 233 . 1 . 1 68 68 ASP N N 15 122.1443 0.0000 . 1 . . . . . 68 ASP N . 52367 1 234 . 1 . 1 69 69 LYS H H 1 8.3566 0.0000 . 1 . . . . . 69 LYS H . 52367 1 235 . 1 . 1 69 69 LYS CA C 13 57.1618 0.0000 . 1 . . . . . 69 LYS CA . 52367 1 236 . 1 . 1 69 69 LYS CB C 13 32.7074 0.0000 . 1 . . . . . 69 LYS CB . 52367 1 237 . 1 . 1 69 69 LYS N N 15 122.6093 0.0000 . 1 . . . . . 69 LYS N . 52367 1 238 . 1 . 1 70 70 GLY H H 1 8.4855 0.0000 . 1 . . . . . 70 GLY H . 52367 1 239 . 1 . 1 70 70 GLY CA C 13 45.7050 0.0000 . 1 . . . . . 70 GLY CA . 52367 1 240 . 1 . 1 70 70 GLY N N 15 108.9632 0.0000 . 1 . . . . . 70 GLY N . 52367 1 241 . 1 . 1 71 71 GLN H H 1 8.1526 0.0000 . 1 . . . . . 71 GLN H . 52367 1 242 . 1 . 1 71 71 GLN CA C 13 55.9394 0.0000 . 1 . . . . . 71 GLN CA . 52367 1 243 . 1 . 1 71 71 GLN CB C 13 29.7004 0.0000 . 1 . . . . . 71 GLN CB . 52367 1 244 . 1 . 1 71 71 GLN N N 15 119.5761 0.0000 . 1 . . . . . 71 GLN N . 52367 1 245 . 1 . 1 72 72 ARG H H 1 8.4804 0.0000 . 1 . . . . . 72 ARG H . 52367 1 246 . 1 . 1 72 72 ARG CA C 13 56.1889 0.0000 . 1 . . . . . 72 ARG CA . 52367 1 247 . 1 . 1 72 72 ARG CB C 13 31.0450 0.0000 . 1 . . . . . 72 ARG CB . 52367 1 248 . 1 . 1 72 72 ARG N N 15 122.2202 0.0000 . 1 . . . . . 72 ARG N . 52367 1 249 . 1 . 1 73 73 THR H H 1 8.2265 0.0000 . 1 . . . . . 73 THR H . 52367 1 250 . 1 . 1 73 73 THR CA C 13 61.6215 0.0000 . 1 . . . . . 73 THR CA . 52367 1 251 . 1 . 1 73 73 THR CB C 13 70.3313 0.0000 . 1 . . . . . 73 THR CB . 52367 1 252 . 1 . 1 73 73 THR N N 15 114.2559 0.0000 . 1 . . . . . 73 THR N . 52367 1 253 . 1 . 1 74 74 ASP H H 1 8.4734 0.0000 . 1 . . . . . 74 ASP H . 52367 1 254 . 1 . 1 74 74 ASP CA C 13 53.8967 0.0000 . 1 . . . . . 74 ASP CA . 52367 1 255 . 1 . 1 74 74 ASP CB C 13 41.4172 0.0000 . 1 . . . . . 74 ASP CB . 52367 1 256 . 1 . 1 74 74 ASP N N 15 122.2236 0.0000 . 1 . . . . . 74 ASP N . 52367 1 257 . 1 . 1 75 75 LYS H H 1 8.2552 0.0000 . 1 . . . . . 75 LYS H . 52367 1 258 . 1 . 1 75 75 LYS CA C 13 56.9514 0.0000 . 1 . . . . . 75 LYS CA . 52367 1 259 . 1 . 1 75 75 LYS CB C 13 32.9220 0.0000 . 1 . . . . . 75 LYS CB . 52367 1 260 . 1 . 1 75 75 LYS N N 15 120.4718 0.0000 . 1 . . . . . 75 LYS N . 52367 1 261 . 1 . 1 76 76 TYR H H 1 8.1468 0.0000 . 1 . . . . . 76 TYR H . 52367 1 262 . 1 . 1 76 76 TYR CA C 13 57.9301 0.0000 . 1 . . . . . 76 TYR CA . 52367 1 263 . 1 . 1 76 76 TYR CB C 13 38.6665 0.0000 . 1 . . . . . 76 TYR CB . 52367 1 264 . 1 . 1 76 76 TYR N N 15 119.2906 0.0000 . 1 . . . . . 76 TYR N . 52367 1 265 . 1 . 1 77 77 GLY H H 1 8.1678 0.0000 . 1 . . . . . 77 GLY H . 52367 1 266 . 1 . 1 77 77 GLY CA C 13 45.8511 0.0000 . 1 . . . . . 77 GLY CA . 52367 1 267 . 1 . 1 77 77 GLY N N 15 109.6202 0.0000 . 1 . . . . . 77 GLY N . 52367 1 268 . 1 . 1 78 78 ARG H H 1 8.3428 0.0000 . 1 . . . . . 78 ARG H . 52367 1 269 . 1 . 1 78 78 ARG CA C 13 56.4256 0.0000 . 1 . . . . . 78 ARG CA . 52367 1 270 . 1 . 1 78 78 ARG CB C 13 30.9322 0.0000 . 1 . . . . . 78 ARG CB . 52367 1 271 . 1 . 1 78 78 ARG N N 15 120.7401 0.0000 . 1 . . . . . 78 ARG N . 52367 1 272 . 1 . 1 79 79 GLY H H 1 8.5598 0.0000 . 1 . . . . . 79 GLY H . 52367 1 273 . 1 . 1 79 79 GLY CA C 13 45.7550 0.0000 . 1 . . . . . 79 GLY CA . 52367 1 274 . 1 . 1 79 79 GLY N N 15 109.7719 0.0000 . 1 . . . . . 79 GLY N . 52367 1 275 . 1 . 1 80 80 LEU H H 1 8.0259 0.0000 . 1 . . . . . 80 LEU H . 52367 1 276 . 1 . 1 80 80 LEU CA C 13 55.3614 0.0000 . 1 . . . . . 80 LEU CA . 52367 1 277 . 1 . 1 80 80 LEU CB C 13 42.7740 0.0000 . 1 . . . . . 80 LEU CB . 52367 1 278 . 1 . 1 80 80 LEU N N 15 121.3012 0.0000 . 1 . . . . . 80 LEU N . 52367 1 279 . 1 . 1 81 81 ALA H H 1 8.1499 0.0000 . 1 . . . . . 81 ALA H . 52367 1 280 . 1 . 1 81 81 ALA CA C 13 52.6782 0.0000 . 1 . . . . . 81 ALA CA . 52367 1 281 . 1 . 1 81 81 ALA CB C 13 19.5257 0.0000 . 1 . . . . . 81 ALA CB . 52367 1 282 . 1 . 1 81 81 ALA N N 15 124.0522 0.0000 . 1 . . . . . 81 ALA N . 52367 1 283 . 1 . 1 82 82 TYR H H 1 7.9964 0.0000 . 1 . . . . . 82 TYR H . 52367 1 284 . 1 . 1 82 82 TYR CA C 13 58.1266 0.0000 . 1 . . . . . 82 TYR CA . 52367 1 285 . 1 . 1 82 82 TYR CB C 13 39.3604 0.0000 . 1 . . . . . 82 TYR CB . 52367 1 286 . 1 . 1 82 82 TYR N N 15 119.1448 0.0000 . 1 . . . . . 82 TYR N . 52367 1 287 . 1 . 1 83 83 ILE H H 1 7.9215 0.0000 . 1 . . . . . 83 ILE H . 52367 1 288 . 1 . 1 83 83 ILE CA C 13 61.0008 0.0000 . 1 . . . . . 83 ILE CA . 52367 1 289 . 1 . 1 83 83 ILE CB C 13 39.3343 0.0000 . 1 . . . . . 83 ILE CB . 52367 1 290 . 1 . 1 83 83 ILE N N 15 122.2071 0.0000 . 1 . . . . . 83 ILE N . 52367 1 291 . 1 . 1 84 84 TYR H H 1 8.2170 0.0000 . 1 . . . . . 84 TYR H . 52367 1 292 . 1 . 1 84 84 TYR CA C 13 57.9889 0.0000 . 1 . . . . . 84 TYR CA . 52367 1 293 . 1 . 1 84 84 TYR CB C 13 39.3325 0.0000 . 1 . . . . . 84 TYR CB . 52367 1 294 . 1 . 1 84 84 TYR N N 15 123.9762 0.0000 . 1 . . . . . 84 TYR N . 52367 1 295 . 1 . 1 85 85 ALA H H 1 8.3437 0.0000 . 1 . . . . . 85 ALA H . 52367 1 296 . 1 . 1 85 85 ALA CA C 13 52.8645 0.0000 . 1 . . . . . 85 ALA CA . 52367 1 297 . 1 . 1 85 85 ALA CB C 13 19.8300 0.0000 . 1 . . . . . 85 ALA CB . 52367 1 298 . 1 . 1 85 85 ALA N N 15 125.9138 0.0000 . 1 . . . . . 85 ALA N . 52367 1 299 . 1 . 1 86 86 ASP H H 1 8.3616 0.0000 . 1 . . . . . 86 ASP H . 52367 1 300 . 1 . 1 86 86 ASP CA C 13 54.6765 0.0000 . 1 . . . . . 86 ASP CA . 52367 1 301 . 1 . 1 86 86 ASP CB C 13 41.1096 0.0000 . 1 . . . . . 86 ASP CB . 52367 1 302 . 1 . 1 86 86 ASP N N 15 119.7090 0.0000 . 1 . . . . . 86 ASP N . 52367 1 303 . 1 . 1 87 87 GLY H H 1 8.3097 0.0000 . 1 . . . . . 87 GLY H . 52367 1 304 . 1 . 1 87 87 GLY CA C 13 45.9595 0.0000 . 1 . . . . . 87 GLY CA . 52367 1 305 . 1 . 1 87 87 GLY N N 15 108.0873 0.0000 . 1 . . . . . 87 GLY N . 52367 1 306 . 1 . 1 88 88 LYS H H 1 8.0171 0.0000 . 1 . . . . . 88 LYS H . 52367 1 307 . 1 . 1 88 88 LYS CA C 13 56.6185 0.0000 . 1 . . . . . 88 LYS CA . 52367 1 308 . 1 . 1 88 88 LYS CB C 13 33.4553 0.0000 . 1 . . . . . 88 LYS CB . 52367 1 309 . 1 . 1 88 88 LYS N N 15 120.5297 0.0000 . 1 . . . . . 88 LYS N . 52367 1 310 . 1 . 1 89 89 MET H H 1 8.4180 0.0000 . 1 . . . . . 89 MET H . 52367 1 311 . 1 . 1 89 89 MET CA C 13 56.0177 0.0000 . 1 . . . . . 89 MET CA . 52367 1 312 . 1 . 1 89 89 MET CB C 13 33.1358 0.0000 . 1 . . . . . 89 MET CB . 52367 1 313 . 1 . 1 89 89 MET N N 15 120.9977 0.0000 . 1 . . . . . 89 MET N . 52367 1 314 . 1 . 1 90 90 VAL CA C 13 62.8202 0.0000 . 1 . . . . . 90 VAL CA . 52367 1 315 . 1 . 1 90 90 VAL CB C 13 33.2817 0.0000 . 1 . . . . . 90 VAL CB . 52367 1 316 . 1 . 1 91 91 ASN H H 1 8.4695 0.0000 . 1 . . . . . 91 ASN H . 52367 1 317 . 1 . 1 91 91 ASN CA C 13 53.7356 0.0000 . 1 . . . . . 91 ASN CA . 52367 1 318 . 1 . 1 91 91 ASN CB C 13 38.9371 0.0000 . 1 . . . . . 91 ASN CB . 52367 1 319 . 1 . 1 91 91 ASN N N 15 122.1896 0.0000 . 1 . . . . . 91 ASN N . 52367 1 320 . 1 . 1 92 92 GLU H H 1 8.5366 0.0000 . 1 . . . . . 92 GLU H . 52367 1 321 . 1 . 1 92 92 GLU CA C 13 58.1859 0.0000 . 1 . . . . . 92 GLU CA . 52367 1 322 . 1 . 1 92 92 GLU CB C 13 30.1871 0.0000 . 1 . . . . . 92 GLU CB . 52367 1 323 . 1 . 1 92 92 GLU N N 15 122.6154 0.0000 . 1 . . . . . 92 GLU N . 52367 1 324 . 1 . 1 93 93 ALA H H 1 8.2127 0.0000 . 1 . . . . . 93 ALA H . 52367 1 325 . 1 . 1 93 93 ALA CA C 13 53.8672 0.0000 . 1 . . . . . 93 ALA CA . 52367 1 326 . 1 . 1 93 93 ALA CB C 13 18.9475 0.0000 . 1 . . . . . 93 ALA CB . 52367 1 327 . 1 . 1 93 93 ALA N N 15 122.8110 0.0000 . 1 . . . . . 93 ALA N . 52367 1 328 . 1 . 1 94 94 LEU H H 1 7.8656 0.0000 . 1 . . . . . 94 LEU H . 52367 1 329 . 1 . 1 94 94 LEU CA C 13 56.2785 0.0000 . 1 . . . . . 94 LEU CA . 52367 1 330 . 1 . 1 94 94 LEU CB C 13 42.2938 0.0000 . 1 . . . . . 94 LEU CB . 52367 1 331 . 1 . 1 94 94 LEU N N 15 119.6073 0.0000 . 1 . . . . . 94 LEU N . 52367 1 332 . 1 . 1 95 95 VAL H H 1 7.9406 0.0000 . 1 . . . . . 95 VAL H . 52367 1 333 . 1 . 1 95 95 VAL CA C 13 63.9413 0.0000 . 1 . . . . . 95 VAL CA . 52367 1 334 . 1 . 1 95 95 VAL CB C 13 32.5284 0.0000 . 1 . . . . . 95 VAL CB . 52367 1 335 . 1 . 1 95 95 VAL N N 15 120.9161 0.0000 . 1 . . . . . 95 VAL N . 52367 1 336 . 1 . 1 96 96 ARG H H 1 8.2796 0.0000 . 1 . . . . . 96 ARG H . 52367 1 337 . 1 . 1 96 96 ARG CA C 13 57.3612 0.0000 . 1 . . . . . 96 ARG CA . 52367 1 338 . 1 . 1 96 96 ARG CB C 13 30.6832 0.0000 . 1 . . . . . 96 ARG CB . 52367 1 339 . 1 . 1 96 96 ARG N N 15 123.0906 0.0000 . 1 . . . . . 96 ARG N . 52367 1 340 . 1 . 1 97 97 GLN CA C 13 56.7507 0.0000 . 1 . . . . . 97 GLN CA . 52367 1 341 . 1 . 1 97 97 GLN CB C 13 29.7510 0.0000 . 1 . . . . . 97 GLN CB . 52367 1 342 . 1 . 1 98 98 GLY H H 1 8.3069 0.0000 . 1 . . . . . 98 GLY H . 52367 1 343 . 1 . 1 98 98 GLY CA C 13 45.6321 0.0000 . 1 . . . . . 98 GLY CA . 52367 1 344 . 1 . 1 98 98 GLY N N 15 109.2836 0.0000 . 1 . . . . . 98 GLY N . 52367 1 345 . 1 . 1 99 99 LEU H H 1 8.1012 0.0000 . 1 . . . . . 99 LEU H . 52367 1 346 . 1 . 1 99 99 LEU CA C 13 55.4498 0.0000 . 1 . . . . . 99 LEU CA . 52367 1 347 . 1 . 1 99 99 LEU CB C 13 42.7253 0.0000 . 1 . . . . . 99 LEU CB . 52367 1 348 . 1 . 1 99 99 LEU N N 15 121.8312 0.0000 . 1 . . . . . 99 LEU N . 52367 1 349 . 1 . 1 100 100 ALA H H 1 8.2691 0.0000 . 1 . . . . . 100 ALA H . 52367 1 350 . 1 . 1 100 100 ALA CA C 13 52.6809 0.0000 . 1 . . . . . 100 ALA CA . 52367 1 351 . 1 . 1 100 100 ALA CB C 13 19.5421 0.0000 . 1 . . . . . 100 ALA CB . 52367 1 352 . 1 . 1 100 100 ALA N N 15 123.5619 0.0000 . 1 . . . . . 100 ALA N . 52367 1 353 . 1 . 1 101 101 LYS H H 1 8.2510 0.0000 . 1 . . . . . 101 LYS H . 52367 1 354 . 1 . 1 101 101 LYS CA C 13 56.5243 0.0000 . 1 . . . . . 101 LYS CA . 52367 1 355 . 1 . 1 101 101 LYS CB C 13 33.3292 0.0000 . 1 . . . . . 101 LYS CB . 52367 1 356 . 1 . 1 101 101 LYS N N 15 120.6905 0.0000 . 1 . . . . . 101 LYS N . 52367 1 357 . 1 . 1 102 102 VAL H H 1 8.1088 0.0000 . 1 . . . . . 102 VAL H . 52367 1 358 . 1 . 1 102 102 VAL CA C 13 62.2198 0.0000 . 1 . . . . . 102 VAL CA . 52367 1 359 . 1 . 1 102 102 VAL CB C 13 33.2085 0.0000 . 1 . . . . . 102 VAL CB . 52367 1 360 . 1 . 1 102 102 VAL N N 15 121.5311 0.0000 . 1 . . . . . 102 VAL N . 52367 1 361 . 1 . 1 103 103 ALA H H 1 8.3675 0.0000 . 1 . . . . . 103 ALA H . 52367 1 362 . 1 . 1 103 103 ALA CA C 13 52.3983 0.0000 . 1 . . . . . 103 ALA CA . 52367 1 363 . 1 . 1 103 103 ALA CB C 13 19.6132 0.0000 . 1 . . . . . 103 ALA CB . 52367 1 364 . 1 . 1 103 103 ALA N N 15 128.0825 0.0000 . 1 . . . . . 103 ALA N . 52367 1 365 . 1 . 1 104 104 TYR H H 1 8.2226 0.0000 . 1 . . . . . 104 TYR H . 52367 1 366 . 1 . 1 104 104 TYR CA C 13 58.2717 0.0000 . 1 . . . . . 104 TYR CA . 52367 1 367 . 1 . 1 104 104 TYR CB C 13 39.3940 0.0000 . 1 . . . . . 104 TYR CB . 52367 1 368 . 1 . 1 104 104 TYR N N 15 121.0126 0.0000 . 1 . . . . . 104 TYR N . 52367 1 369 . 1 . 1 105 105 VAL H H 1 7.8935 0.0000 . 1 . . . . . 105 VAL H . 52367 1 370 . 1 . 1 105 105 VAL CA C 13 61.8069 0.0000 . 1 . . . . . 105 VAL CA . 52367 1 371 . 1 . 1 105 105 VAL CB C 13 33.6408 0.0000 . 1 . . . . . 105 VAL CB . 52367 1 372 . 1 . 1 105 105 VAL N N 15 124.6539 0.0000 . 1 . . . . . 105 VAL N . 52367 1 373 . 1 . 1 106 106 TYR H H 1 8.3749 0.0000 . 1 . . . . . 106 TYR H . 52367 1 374 . 1 . 1 106 106 TYR CA C 13 58.2682 0.0000 . 1 . . . . . 106 TYR CA . 52367 1 375 . 1 . 1 106 106 TYR CB C 13 39.0632 0.0000 . 1 . . . . . 106 TYR CB . 52367 1 376 . 1 . 1 106 106 TYR N N 15 126.0116 0.0000 . 1 . . . . . 106 TYR N . 52367 1 377 . 1 . 1 107 107 LYS H H 1 8.0720 0.0000 . 1 . . . . . 107 LYS H . 52367 1 378 . 1 . 1 107 107 LYS CA C 13 53.5487 0.0000 . 1 . . . . . 107 LYS CA . 52367 1 379 . 1 . 1 107 107 LYS CB C 13 33.3209 0.0000 . 1 . . . . . 107 LYS CB . 52367 1 380 . 1 . 1 107 107 LYS N N 15 126.8654 0.0000 . 1 . . . . . 107 LYS N . 52367 1 381 . 1 . 1 108 108 PRO CA C 13 63.1677 0.0000 . 1 . . . . . 108 PRO CA . 52367 1 382 . 1 . 1 108 108 PRO CB C 13 32.3815 0.0000 . 1 . . . . . 108 PRO CB . 52367 1 383 . 1 . 1 109 109 ASN H H 1 8.5807 0.0000 . 1 . . . . . 109 ASN H . 52367 1 384 . 1 . 1 109 109 ASN CA C 13 53.3833 0.0000 . 1 . . . . . 109 ASN CA . 52367 1 385 . 1 . 1 109 109 ASN CB C 13 39.0134 0.0000 . 1 . . . . . 109 ASN CB . 52367 1 386 . 1 . 1 109 109 ASN N N 15 118.8305 0.0000 . 1 . . . . . 109 ASN N . 52367 1 387 . 1 . 1 110 110 ASN H H 1 8.4293 0.0000 . 1 . . . . . 110 ASN H . 52367 1 388 . 1 . 1 110 110 ASN CA C 13 53.3616 0.0000 . 1 . . . . . 110 ASN CA . 52367 1 389 . 1 . 1 110 110 ASN CB C 13 39.1079 0.0000 . 1 . . . . . 110 ASN CB . 52367 1 390 . 1 . 1 110 110 ASN N N 15 119.6799 0.0000 . 1 . . . . . 110 ASN N . 52367 1 391 . 1 . 1 111 111 THR H H 1 8.2107 0.0000 . 1 . . . . . 111 THR H . 52367 1 392 . 1 . 1 111 111 THR CA C 13 62.8064 0.0000 . 1 . . . . . 111 THR CA . 52367 1 393 . 1 . 1 111 111 THR CB C 13 69.7350 0.0000 . 1 . . . . . 111 THR CB . 52367 1 394 . 1 . 1 111 111 THR N N 15 114.1533 0.0000 . 1 . . . . . 111 THR N . 52367 1 395 . 1 . 1 112 112 HIS H H 1 8.5155 0.0000 . 1 . . . . . 112 HIS H . 52367 1 396 . 1 . 1 112 112 HIS CA C 13 56.4713 0.0000 . 1 . . . . . 112 HIS CA . 52367 1 397 . 1 . 1 112 112 HIS CB C 13 29.4992 0.0000 . 1 . . . . . 112 HIS CB . 52367 1 398 . 1 . 1 112 112 HIS N N 15 120.6204 0.0000 . 1 . . . . . 112 HIS N . 52367 1 399 . 1 . 1 113 113 GLU H H 1 8.3468 0.0000 . 1 . . . . . 113 GLU H . 52367 1 400 . 1 . 1 113 113 GLU CA C 13 57.2062 0.0000 . 1 . . . . . 113 GLU CA . 52367 1 401 . 1 . 1 113 113 GLU CB C 13 30.3546 0.0000 . 1 . . . . . 113 GLU CB . 52367 1 402 . 1 . 1 113 113 GLU N N 15 121.4999 0.0000 . 1 . . . . . 113 GLU N . 52367 1 403 . 1 . 1 114 114 GLN H H 1 8.4494 0.0000 . 1 . . . . . 114 GLN H . 52367 1 404 . 1 . 1 114 114 GLN CA C 13 56.5698 0.0000 . 1 . . . . . 114 GLN CA . 52367 1 405 . 1 . 1 114 114 GLN CB C 13 29.7100 0.0000 . 1 . . . . . 114 GLN CB . 52367 1 406 . 1 . 1 114 114 GLN N N 15 121.1873 0.0000 . 1 . . . . . 114 GLN N . 52367 1 407 . 1 . 1 115 115 HIS H H 1 8.5209 0.0000 . 1 . . . . . 115 HIS H . 52367 1 408 . 1 . 1 115 115 HIS CA C 13 56.0539 0.0000 . 1 . . . . . 115 HIS CA . 52367 1 409 . 1 . 1 115 115 HIS CB C 13 29.6895 0.0000 . 1 . . . . . 115 HIS CB . 52367 1 410 . 1 . 1 115 115 HIS N N 15 119.8468 0.0000 . 1 . . . . . 115 HIS N . 52367 1 411 . 1 . 1 116 116 LEU H H 1 8.2577 0.0000 . 1 . . . . . 116 LEU H . 52367 1 412 . 1 . 1 116 116 LEU CA C 13 55.6637 0.0000 . 1 . . . . . 116 LEU CA . 52367 1 413 . 1 . 1 116 116 LEU CB C 13 42.5422 0.0000 . 1 . . . . . 116 LEU CB . 52367 1 414 . 1 . 1 116 116 LEU N N 15 123.0625 0.0000 . 1 . . . . . 116 LEU N . 52367 1 415 . 1 . 1 117 117 ARG H H 1 8.4037 0.0000 . 1 . . . . . 117 ARG H . 52367 1 416 . 1 . 1 117 117 ARG CA C 13 56.5403 0.0000 . 1 . . . . . 117 ARG CA . 52367 1 417 . 1 . 1 117 117 ARG CB C 13 31.0127 0.0000 . 1 . . . . . 117 ARG CB . 52367 1 418 . 1 . 1 117 117 ARG N N 15 122.1837 0.0000 . 1 . . . . . 117 ARG N . 52367 1 419 . 1 . 1 118 118 LYS H H 1 8.4362 0.0000 . 1 . . . . . 118 LYS H . 52367 1 420 . 1 . 1 118 118 LYS CA C 13 57.1038 0.0000 . 1 . . . . . 118 LYS CA . 52367 1 421 . 1 . 1 118 118 LYS CB C 13 33.3201 0.0000 . 1 . . . . . 118 LYS CB . 52367 1 422 . 1 . 1 118 118 LYS N N 15 123.4610 0.0000 . 1 . . . . . 118 LYS N . 52367 1 423 . 1 . 1 119 119 SER H H 1 8.4737 0.0000 . 1 . . . . . 119 SER H . 52367 1 424 . 1 . 1 119 119 SER CA C 13 58.8518 0.0000 . 1 . . . . . 119 SER CA . 52367 1 425 . 1 . 1 119 119 SER CB C 13 63.9904 0.0000 . 1 . . . . . 119 SER CB . 52367 1 426 . 1 . 1 119 119 SER N N 15 117.6514 0.0000 . 1 . . . . . 119 SER N . 52367 1 427 . 1 . 1 120 120 GLU H H 1 8.5554 0.0000 . 1 . . . . . 120 GLU H . 52367 1 428 . 1 . 1 120 120 GLU CA C 13 57.6069 0.0000 . 1 . . . . . 120 GLU CA . 52367 1 429 . 1 . 1 120 120 GLU CB C 13 30.2892 0.0000 . 1 . . . . . 120 GLU CB . 52367 1 430 . 1 . 1 120 120 GLU N N 15 123.2401 0.0000 . 1 . . . . . 120 GLU N . 52367 1 431 . 1 . 1 121 121 ALA H H 1 8.3204 0.0000 . 1 . . . . . 121 ALA H . 52367 1 432 . 1 . 1 121 121 ALA CA C 13 53.7443 0.0000 . 1 . . . . . 121 ALA CA . 52367 1 433 . 1 . 1 121 121 ALA CB C 13 19.1011 0.0000 . 1 . . . . . 121 ALA CB . 52367 1 434 . 1 . 1 121 121 ALA N N 15 123.7626 0.0000 . 1 . . . . . 121 ALA N . 52367 1 435 . 1 . 1 122 122 GLN H H 1 8.2288 0.0000 . 1 . . . . . 122 GLN H . 52367 1 436 . 1 . 1 122 122 GLN CA C 13 56.6986 0.0000 . 1 . . . . . 122 GLN CA . 52367 1 437 . 1 . 1 122 122 GLN CB C 13 29.3654 0.0000 . 1 . . . . . 122 GLN CB . 52367 1 438 . 1 . 1 122 122 GLN N N 15 119.4200 0.0000 . 1 . . . . . 122 GLN N . 52367 1 439 . 1 . 1 123 123 ALA H H 1 8.2887 0.0000 . 1 . . . . . 123 ALA H . 52367 1 440 . 1 . 1 123 123 ALA CA C 13 53.4942 0.0000 . 1 . . . . . 123 ALA CA . 52367 1 441 . 1 . 1 123 123 ALA CB C 13 19.0449 0.0000 . 1 . . . . . 123 ALA CB . 52367 1 442 . 1 . 1 123 123 ALA N N 15 124.4715 0.0000 . 1 . . . . . 123 ALA N . 52367 1 443 . 1 . 1 124 124 LYS H H 1 8.2067 0.0000 . 1 . . . . . 124 LYS H . 52367 1 444 . 1 . 1 124 124 LYS CA C 13 57.3110 0.0000 . 1 . . . . . 124 LYS CA . 52367 1 445 . 1 . 1 124 124 LYS CB C 13 33.0821 0.0000 . 1 . . . . . 124 LYS CB . 52367 1 446 . 1 . 1 124 124 LYS N N 15 120.0245 0.0000 . 1 . . . . . 124 LYS N . 52367 1 447 . 1 . 1 125 125 LYS H H 1 8.1689 0.0000 . 1 . . . . . 125 LYS H . 52367 1 448 . 1 . 1 125 125 LYS CA C 13 57.2066 0.0000 . 1 . . . . . 125 LYS CA . 52367 1 449 . 1 . 1 125 125 LYS CB C 13 33.0512 0.0000 . 1 . . . . . 125 LYS CB . 52367 1 450 . 1 . 1 125 125 LYS N N 15 122.2565 0.0000 . 1 . . . . . 125 LYS N . 52367 1 451 . 1 . 1 126 126 GLU H H 1 8.3254 0.0000 . 1 . . . . . 126 GLU H . 52367 1 452 . 1 . 1 126 126 GLU CA C 13 57.0642 0.0000 . 1 . . . . . 126 GLU CA . 52367 1 453 . 1 . 1 126 126 GLU CB C 13 30.4716 0.0000 . 1 . . . . . 126 GLU CB . 52367 1 454 . 1 . 1 126 126 GLU N N 15 121.4593 0.0000 . 1 . . . . . 126 GLU N . 52367 1 455 . 1 . 1 127 127 LYS H H 1 8.2391 0.0000 . 1 . . . . . 127 LYS H . 52367 1 456 . 1 . 1 127 127 LYS CA C 13 56.8917 0.0000 . 1 . . . . . 127 LYS CA . 52367 1 457 . 1 . 1 127 127 LYS CB C 13 32.9524 0.0000 . 1 . . . . . 127 LYS CB . 52367 1 458 . 1 . 1 127 127 LYS N N 15 121.8320 0.0000 . 1 . . . . . 127 LYS N . 52367 1 459 . 1 . 1 128 128 LEU H H 1 8.1717 0.0000 . 1 . . . . . 128 LEU H . 52367 1 460 . 1 . 1 128 128 LEU CA C 13 55.2756 0.0000 . 1 . . . . . 128 LEU CA . 52367 1 461 . 1 . 1 128 128 LEU CB C 13 42.7309 0.0000 . 1 . . . . . 128 LEU CB . 52367 1 462 . 1 . 1 128 128 LEU N N 15 122.6603 0.0000 . 1 . . . . . 128 LEU N . 52367 1 463 . 1 . 1 129 129 ASN H H 1 8.3975 0.0000 . 1 . . . . . 129 ASN H . 52367 1 464 . 1 . 1 129 129 ASN CA C 13 53.4232 0.0000 . 1 . . . . . 129 ASN CA . 52367 1 465 . 1 . 1 129 129 ASN CB C 13 38.9343 0.0000 . 1 . . . . . 129 ASN CB . 52367 1 466 . 1 . 1 129 129 ASN N N 15 119.5351 0.0000 . 1 . . . . . 129 ASN N . 52367 1 467 . 1 . 1 130 130 ILE H H 1 7.7528 0.0000 . 1 . . . . . 130 ILE H . 52367 1 468 . 1 . 1 130 130 ILE CA C 13 61.2859 0.0000 . 1 . . . . . 130 ILE CA . 52367 1 469 . 1 . 1 130 130 ILE CB C 13 38.9830 0.0000 . 1 . . . . . 130 ILE CB . 52367 1 470 . 1 . 1 130 130 ILE N N 15 119.6728 0.0000 . 1 . . . . . 130 ILE N . 52367 1 471 . 1 . 1 131 131 TRP H H 1 7.6891 0.0000 . 1 . . . . . 131 TRP H . 52367 1 472 . 1 . 1 131 131 TRP CA C 13 58.6987 0.0000 . 1 . . . . . 131 TRP CA . 52367 1 473 . 1 . 1 131 131 TRP CB C 13 30.4676 0.0000 . 1 . . . . . 131 TRP CB . 52367 1 474 . 1 . 1 131 131 TRP N N 15 129.7055 0.0000 . 1 . . . . . 131 TRP N . 52367 1 stop_ save_