################################### # 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 52650 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Sla1 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 2 '3D HNCA' . . . 52650 1 3 '3D HN(CO)CA' . . . 52650 1 4 '3D HNCO' . . . 52650 1 5 '3D HN(CA)CO' . . . 52650 1 6 '3D CBCACONH' . . . 52650 1 7 '3D CBCA(CO)NH' . . . 52650 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 . . 52650 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 2 2 PRO C C 13 176.27 0.050 . 1 . . . . . 2 PRO C . 52650 1 2 . 1 . 1 2 2 PRO CA C 13 62.68 0.050 . 1 . . . . . 2 PRO CA . 52650 1 3 . 1 . 1 2 2 PRO CB C 13 31.43 0.050 . 1 . . . . . 2 PRO CB . 52650 1 4 . 1 . 1 3 3 LEU H H 1 8.278 0.005 . 1 . . . . . 3 LEU H . 52650 1 5 . 1 . 1 3 3 LEU C C 13 178.89 0.050 . 1 . . . . . 3 LEU C . 52650 1 6 . 1 . 1 3 3 LEU CA C 13 58.11 0.050 . 1 . . . . . 3 LEU CA . 52650 1 7 . 1 . 1 3 3 LEU CB C 13 41.47 0.050 . 1 . . . . . 3 LEU CB . 52650 1 8 . 1 . 1 3 3 LEU N N 15 126.14 0.050 . 1 . . . . . 3 LEU N . 52650 1 9 . 1 . 1 4 4 GLY H H 1 9.377 0.005 . 1 . . . . . 4 GLY H . 52650 1 10 . 1 . 1 4 4 GLY C C 13 174.62 0.050 . 1 . . . . . 4 GLY C . 52650 1 11 . 1 . 1 4 4 GLY CA C 13 45.22 0.050 . 1 . . . . . 4 GLY CA . 52650 1 12 . 1 . 1 4 4 GLY N N 15 114.93 0.050 . 1 . . . . . 4 GLY N . 52650 1 13 . 1 . 1 5 5 SER H H 1 8.205 0.005 . 1 . . . . . 5 SER H . 52650 1 14 . 1 . 1 5 5 SER C C 13 173.99 0.050 . 1 . . . . . 5 SER C . 52650 1 15 . 1 . 1 5 5 SER CA C 13 58.86 0.050 . 1 . . . . . 5 SER CA . 52650 1 16 . 1 . 1 5 5 SER CB C 13 64.69 0.050 . 1 . . . . . 5 SER CB . 52650 1 17 . 1 . 1 5 5 SER N N 15 115.79 0.050 . 1 . . . . . 5 SER N . 52650 1 18 . 1 . 1 6 6 LEU H H 1 9.164 0.005 . 1 . . . . . 6 LEU H . 52650 1 19 . 1 . 1 6 6 LEU C C 13 177.67 0.050 . 1 . . . . . 6 LEU C . 52650 1 20 . 1 . 1 6 6 LEU CA C 13 54.89 0.050 . 1 . . . . . 6 LEU CA . 52650 1 21 . 1 . 1 6 6 LEU CB C 13 42.31 0.050 . 1 . . . . . 6 LEU CB . 52650 1 22 . 1 . 1 6 6 LEU N N 15 117.17 0.050 . 1 . . . . . 6 LEU N . 52650 1 23 . 1 . 1 7 7 GLY H H 1 7.281 0.005 . 1 . . . . . 7 GLY H . 52650 1 24 . 1 . 1 7 7 GLY C C 13 170.35 0.050 . 1 . . . . . 7 GLY C . 52650 1 25 . 1 . 1 7 7 GLY CA C 13 44.38 0.050 . 1 . . . . . 7 GLY CA . 52650 1 26 . 1 . 1 7 7 GLY N N 15 104.99 0.050 . 1 . . . . . 7 GLY N . 52650 1 27 . 1 . 1 8 8 ILE H H 1 7.680 0.005 . 1 . . . . . 8 ILE H . 52650 1 28 . 1 . 1 8 8 ILE C C 13 174.74 0.050 . 1 . . . . . 8 ILE C . 52650 1 29 . 1 . 1 8 8 ILE CA C 13 59.37 0.050 . 1 . . . . . 8 ILE CA . 52650 1 30 . 1 . 1 8 8 ILE CB C 13 37.05 0.050 . 1 . . . . . 8 ILE CB . 52650 1 31 . 1 . 1 8 8 ILE N N 15 119.07 0.050 . 1 . . . . . 8 ILE N . 52650 1 32 . 1 . 1 9 9 TYR H H 1 9.784 0.005 . 1 . . . . . 9 TYR H . 52650 1 33 . 1 . 1 9 9 TYR C C 13 173.16 0.050 . 1 . . . . . 9 TYR C . 52650 1 34 . 1 . 1 9 9 TYR CA C 13 56.76 0.050 . 1 . . . . . 9 TYR CA . 52650 1 35 . 1 . 1 9 9 TYR CB C 13 43.20 0.050 . 1 . . . . . 9 TYR CB . 52650 1 36 . 1 . 1 9 9 TYR N N 15 129.14 0.050 . 1 . . . . . 9 TYR N . 52650 1 37 . 1 . 1 10 10 ARG H H 1 9.787 0.005 . 1 . . . . . 10 ARG H . 52650 1 38 . 1 . 1 10 10 ARG C C 13 175.83 0.050 . 1 . . . . . 10 ARG C . 52650 1 39 . 1 . 1 10 10 ARG CA C 13 53.11 0.050 . 1 . . . . . 10 ARG CA . 52650 1 40 . 1 . 1 10 10 ARG CB C 13 35.04 0.050 . 1 . . . . . 10 ARG CB . 52650 1 41 . 1 . 1 10 10 ARG N N 15 119.14 0.050 . 1 . . . . . 10 ARG N . 52650 1 42 . 1 . 1 11 11 ALA H H 1 8.842 0.005 . 1 . . . . . 11 ALA H . 52650 1 43 . 1 . 1 11 11 ALA C C 13 176.85 0.050 . 1 . . . . . 11 ALA C . 52650 1 44 . 1 . 1 11 11 ALA CA C 13 52.47 0.050 . 1 . . . . . 11 ALA CA . 52650 1 45 . 1 . 1 11 11 ALA CB C 13 20.00 0.050 . 1 . . . . . 11 ALA CB . 52650 1 46 . 1 . 1 11 11 ALA N N 15 126.18 0.050 . 1 . . . . . 11 ALA N . 52650 1 47 . 1 . 1 12 12 VAL H H 1 9.164 0.005 . 1 . . . . . 12 VAL H . 52650 1 48 . 1 . 1 12 12 VAL C C 13 174.98 0.050 . 1 . . . . . 12 VAL C . 52650 1 49 . 1 . 1 12 12 VAL CA C 13 63.44 0.050 . 1 . . . . . 12 VAL CA . 52650 1 50 . 1 . 1 12 12 VAL CB C 13 32.61 0.050 . 1 . . . . . 12 VAL CB . 52650 1 51 . 1 . 1 12 12 VAL N N 15 126.06 0.050 . 1 . . . . . 12 VAL N . 52650 1 52 . 1 . 1 13 13 TYR H H 1 7.248 0.005 . 1 . . . . . 13 TYR H . 52650 1 53 . 1 . 1 13 13 TYR C C 13 173.39 0.050 . 1 . . . . . 13 TYR C . 52650 1 54 . 1 . 1 13 13 TYR CA C 13 54.43 0.050 . 1 . . . . . 13 TYR CA . 52650 1 55 . 1 . 1 13 13 TYR CB C 13 42.08 0.050 . 1 . . . . . 13 TYR CB . 52650 1 56 . 1 . 1 13 13 TYR N N 15 115.24 0.050 . 1 . . . . . 13 TYR N . 52650 1 57 . 1 . 1 14 14 ALA H H 1 8.238 0.005 . 1 . . . . . 14 ALA H . 52650 1 58 . 1 . 1 14 14 ALA C C 13 177.29 0.050 . 1 . . . . . 14 ALA C . 52650 1 59 . 1 . 1 14 14 ALA CA C 13 51.45 0.050 . 1 . . . . . 14 ALA CA . 52650 1 60 . 1 . 1 14 14 ALA CB C 13 19.56 0.050 . 1 . . . . . 14 ALA CB . 52650 1 61 . 1 . 1 14 14 ALA N N 15 119.59 0.050 . 1 . . . . . 14 ALA N . 52650 1 62 . 1 . 1 15 15 TYR H H 1 8.630 0.005 . 1 . . . . . 15 TYR H . 52650 1 63 . 1 . 1 15 15 TYR C C 13 174.06 0.050 . 1 . . . . . 15 TYR C . 52650 1 64 . 1 . 1 15 15 TYR CA C 13 58.50 0.050 . 1 . . . . . 15 TYR CA . 52650 1 65 . 1 . 1 15 15 TYR CB C 13 41.81 0.050 . 1 . . . . . 15 TYR CB . 52650 1 66 . 1 . 1 15 15 TYR N N 15 119.77 0.050 . 1 . . . . . 15 TYR N . 52650 1 67 . 1 . 1 16 16 GLU H H 1 7.324 0.005 . 1 . . . . . 16 GLU H . 52650 1 68 . 1 . 1 16 16 GLU C C 13 172.84 0.050 . 1 . . . . . 16 GLU C . 52650 1 69 . 1 . 1 16 16 GLU CA C 13 51.35 0.050 . 1 . . . . . 16 GLU CA . 52650 1 70 . 1 . 1 16 16 GLU CB C 13 30.45 0.050 . 1 . . . . . 16 GLU CB . 52650 1 71 . 1 . 1 16 16 GLU N N 15 128.78 0.050 . 1 . . . . . 16 GLU N . 52650 1 72 . 1 . 1 17 17 PRO C C 13 177.86 0.050 . 1 . . . . . 17 PRO C . 52650 1 73 . 1 . 1 17 17 PRO CA C 13 62.47 0.050 . 1 . . . . . 17 PRO CA . 52650 1 74 . 1 . 1 17 17 PRO CB C 13 34.12 0.050 . 1 . . . . . 17 PRO CB . 52650 1 75 . 1 . 1 18 18 GLN H H 1 9.394 0.005 . 1 . . . . . 18 GLN H . 52650 1 76 . 1 . 1 18 18 GLN C C 13 175.92 0.050 . 1 . . . . . 18 GLN C . 52650 1 77 . 1 . 1 18 18 GLN CA C 13 54.97 0.050 . 1 . . . . . 18 GLN CA . 52650 1 78 . 1 . 1 18 18 GLN CB C 13 30.58 0.050 . 1 . . . . . 18 GLN CB . 52650 1 79 . 1 . 1 18 18 GLN N N 15 119.89 0.050 . 1 . . . . . 18 GLN N . 52650 1 80 . 1 . 1 19 19 THR H H 1 7.287 0.005 . 1 . . . . . 19 THR H . 52650 1 81 . 1 . 1 19 19 THR C C 13 174.08 0.050 . 1 . . . . . 19 THR C . 52650 1 82 . 1 . 1 19 19 THR CA C 13 58.59 0.050 . 1 . . . . . 19 THR CA . 52650 1 83 . 1 . 1 19 19 THR CB C 13 69.71 0.050 . 1 . . . . . 19 THR CB . 52650 1 84 . 1 . 1 19 19 THR N N 15 109.29 0.050 . 1 . . . . . 19 THR N . 52650 1 85 . 1 . 1 20 20 PRO C C 13 176.85 0.050 . 1 . . . . . 20 PRO C . 52650 1 86 . 1 . 1 20 20 PRO CA C 13 64.18 0.050 . 1 . . . . . 20 PRO CA . 52650 1 87 . 1 . 1 20 20 PRO CB C 13 32.00 0.050 . 1 . . . . . 20 PRO CB . 52650 1 88 . 1 . 1 21 21 GLU H H 1 7.801 0.005 . 1 . . . . . 21 GLU H . 52650 1 89 . 1 . 1 21 21 GLU C C 13 177.32 0.050 . 1 . . . . . 21 GLU C . 52650 1 90 . 1 . 1 21 21 GLU CA C 13 57.59 0.050 . 1 . . . . . 21 GLU CA . 52650 1 91 . 1 . 1 21 21 GLU CB C 13 30.15 0.050 . 1 . . . . . 21 GLU CB . 52650 1 92 . 1 . 1 21 21 GLU N N 15 114.13 0.050 . 1 . . . . . 21 GLU N . 52650 1 93 . 1 . 1 22 22 GLU H H 1 7.402 0.005 . 1 . . . . . 22 GLU H . 52650 1 94 . 1 . 1 22 22 GLU C C 13 174.41 0.050 . 1 . . . . . 22 GLU C . 52650 1 95 . 1 . 1 22 22 GLU CA C 13 54.99 0.050 . 1 . . . . . 22 GLU CA . 52650 1 96 . 1 . 1 22 22 GLU CB C 13 32.76 0.050 . 1 . . . . . 22 GLU CB . 52650 1 97 . 1 . 1 22 22 GLU N N 15 120.00 0.050 . 1 . . . . . 22 GLU N . 52650 1 98 . 1 . 1 23 23 LEU H H 1 8.542 0.005 . 1 . . . . . 23 LEU H . 52650 1 99 . 1 . 1 23 23 LEU C C 13 174.13 0.050 . 1 . . . . . 23 LEU C . 52650 1 100 . 1 . 1 23 23 LEU CA C 13 52.91 0.050 . 1 . . . . . 23 LEU CA . 52650 1 101 . 1 . 1 23 23 LEU CB C 13 45.75 0.050 . 1 . . . . . 23 LEU CB . 52650 1 102 . 1 . 1 23 23 LEU N N 15 123.34 0.050 . 1 . . . . . 23 LEU N . 52650 1 103 . 1 . 1 24 24 ALA H H 1 7.933 0.005 . 1 . . . . . 24 ALA H . 52650 1 104 . 1 . 1 24 24 ALA C C 13 177.91 0.050 . 1 . . . . . 24 ALA C . 52650 1 105 . 1 . 1 24 24 ALA CA C 13 51.51 0.050 . 1 . . . . . 24 ALA CA . 52650 1 106 . 1 . 1 24 24 ALA CB C 13 18.82 0.050 . 1 . . . . . 24 ALA CB . 52650 1 107 . 1 . 1 24 24 ALA N N 15 123.08 0.050 . 1 . . . . . 24 ALA N . 52650 1 108 . 1 . 1 25 25 ILE H H 1 8.124 0.005 . 1 . . . . . 25 ILE H . 52650 1 109 . 1 . 1 25 25 ILE C C 13 174.46 0.050 . 1 . . . . . 25 ILE C . 52650 1 110 . 1 . 1 25 25 ILE CA C 13 59.61 0.050 . 1 . . . . . 25 ILE CA . 52650 1 111 . 1 . 1 25 25 ILE CB C 13 42.03 0.050 . 1 . . . . . 25 ILE CB . 52650 1 112 . 1 . 1 25 25 ILE N N 15 115.01 0.050 . 1 . . . . . 25 ILE N . 52650 1 113 . 1 . 1 26 26 GLN H H 1 9.168 0.005 . 1 . . . . . 26 GLN H . 52650 1 114 . 1 . 1 26 26 GLN C C 13 174.32 0.050 . 1 . . . . . 26 GLN C . 52650 1 115 . 1 . 1 26 26 GLN CA C 13 53.12 0.050 . 1 . . . . . 26 GLN CA . 52650 1 116 . 1 . 1 26 26 GLN CB C 13 31.76 0.050 . 1 . . . . . 26 GLN CB . 52650 1 117 . 1 . 1 26 26 GLN N N 15 122.77 0.050 . 1 . . . . . 26 GLN N . 52650 1 118 . 1 . 1 27 27 GLU H H 1 8.752 0.005 . 1 . . . . . 27 GLU H . 52650 1 119 . 1 . 1 27 27 GLU C C 13 177.13 0.050 . 1 . . . . . 27 GLU C . 52650 1 120 . 1 . 1 27 27 GLU CA C 13 58.63 0.050 . 1 . . . . . 27 GLU CA . 52650 1 121 . 1 . 1 27 27 GLU CB C 13 29.20 0.050 . 1 . . . . . 27 GLU CB . 52650 1 122 . 1 . 1 27 27 GLU N N 15 120.47 0.050 . 1 . . . . . 27 GLU N . 52650 1 123 . 1 . 1 28 28 ASP H H 1 9.079 0.005 . 1 . . . . . 28 ASP H . 52650 1 124 . 1 . 1 28 28 ASP C C 13 176.28 0.050 . 1 . . . . . 28 ASP C . 52650 1 125 . 1 . 1 28 28 ASP CA C 13 57.37 0.050 . 1 . . . . . 28 ASP CA . 52650 1 126 . 1 . 1 28 28 ASP CB C 13 39.92 0.050 . 1 . . . . . 28 ASP CB . 52650 1 127 . 1 . 1 28 28 ASP N N 15 121.62 0.050 . 1 . . . . . 28 ASP N . 52650 1 128 . 1 . 1 29 29 ASP H H 1 8.297 0.005 . 1 . . . . . 29 ASP H . 52650 1 129 . 1 . 1 29 29 ASP C C 13 175.46 0.050 . 1 . . . . . 29 ASP C . 52650 1 130 . 1 . 1 29 29 ASP CA C 13 56.48 0.050 . 1 . . . . . 29 ASP CA . 52650 1 131 . 1 . 1 29 29 ASP CB C 13 41.48 0.050 . 1 . . . . . 29 ASP CB . 52650 1 132 . 1 . 1 29 29 ASP N N 15 121.62 0.050 . 1 . . . . . 29 ASP N . 52650 1 133 . 1 . 1 30 30 LEU H H 1 8.530 0.005 . 1 . . . . . 30 LEU H . 52650 1 134 . 1 . 1 30 30 LEU C C 13 175.96 0.050 . 1 . . . . . 30 LEU C . 52650 1 135 . 1 . 1 30 30 LEU CA C 13 53.95 0.050 . 1 . . . . . 30 LEU CA . 52650 1 136 . 1 . 1 30 30 LEU CB C 13 43.84 0.050 . 1 . . . . . 30 LEU CB . 52650 1 137 . 1 . 1 30 30 LEU N N 15 121.48 0.050 . 1 . . . . . 30 LEU N . 52650 1 138 . 1 . 1 31 31 LEU H H 1 9.063 0.005 . 1 . . . . . 31 LEU H . 52650 1 139 . 1 . 1 31 31 LEU C C 13 175.18 0.050 . 1 . . . . . 31 LEU C . 52650 1 140 . 1 . 1 31 31 LEU CA C 13 52.26 0.050 . 1 . . . . . 31 LEU CA . 52650 1 141 . 1 . 1 31 31 LEU CB C 13 45.71 0.050 . 1 . . . . . 31 LEU CB . 52650 1 142 . 1 . 1 31 31 LEU N N 15 120.99 0.050 . 1 . . . . . 31 LEU N . 52650 1 143 . 1 . 1 32 32 TYR H H 1 9.558 0.005 . 1 . . . . . 32 TYR H . 52650 1 144 . 1 . 1 32 32 TYR C C 13 176.55 0.050 . 1 . . . . . 32 TYR C . 52650 1 145 . 1 . 1 32 32 TYR CA C 13 52.89 0.050 . 1 . . . . . 32 TYR CA . 52650 1 146 . 1 . 1 32 32 TYR CB C 13 37.39 0.050 . 1 . . . . . 32 TYR CB . 52650 1 147 . 1 . 1 32 32 TYR N N 15 122.01 0.050 . 1 . . . . . 32 TYR N . 52650 1 148 . 1 . 1 33 33 LEU H H 1 8.617 0.005 . 1 . . . . . 33 LEU H . 52650 1 149 . 1 . 1 33 33 LEU C C 13 174.46 0.050 . 1 . . . . . 33 LEU C . 52650 1 150 . 1 . 1 33 33 LEU CA C 13 56.03 0.050 . 1 . . . . . 33 LEU CA . 52650 1 151 . 1 . 1 33 33 LEU CB C 13 42.75 0.050 . 1 . . . . . 33 LEU CB . 52650 1 152 . 1 . 1 33 33 LEU N N 15 125.17 0.050 . 1 . . . . . 33 LEU N . 52650 1 153 . 1 . 1 34 34 LEU H H 1 9.064 0.005 . 1 . . . . . 34 LEU H . 52650 1 154 . 1 . 1 34 34 LEU C C 13 177.23 0.050 . 1 . . . . . 34 LEU C . 52650 1 155 . 1 . 1 34 34 LEU CA C 13 55.47 0.050 . 1 . . . . . 34 LEU CA . 52650 1 156 . 1 . 1 34 34 LEU CB C 13 42.41 0.050 . 1 . . . . . 34 LEU CB . 52650 1 157 . 1 . 1 34 34 LEU N N 15 127.19 0.050 . 1 . . . . . 34 LEU N . 52650 1 158 . 1 . 1 35 35 GLN H H 1 7.658 0.005 . 1 . . . . . 35 GLN H . 52650 1 159 . 1 . 1 35 35 GLN C C 13 173.60 0.050 . 1 . . . . . 35 GLN C . 52650 1 160 . 1 . 1 35 35 GLN CA C 13 56.35 0.050 . 1 . . . . . 35 GLN CA . 52650 1 161 . 1 . 1 35 35 GLN CB C 13 32.32 0.050 . 1 . . . . . 35 GLN CB . 52650 1 162 . 1 . 1 35 35 GLN N N 15 115.24 0.050 . 1 . . . . . 35 GLN N . 52650 1 163 . 1 . 1 36 36 LYS H H 1 8.411 0.005 . 1 . . . . . 36 LYS H . 52650 1 164 . 1 . 1 36 36 LYS C C 13 174.69 0.050 . 1 . . . . . 36 LYS C . 52650 1 165 . 1 . 1 36 36 LYS CA C 13 54.76 0.050 . 1 . . . . . 36 LYS CA . 52650 1 166 . 1 . 1 36 36 LYS CB C 13 33.19 0.050 . 1 . . . . . 36 LYS CB . 52650 1 167 . 1 . 1 36 36 LYS N N 15 122.89 0.050 . 1 . . . . . 36 LYS N . 52650 1 168 . 1 . 1 37 37 SER H H 1 6.844 0.005 . 1 . . . . . 37 SER H . 52650 1 169 . 1 . 1 37 37 SER C C 13 174.87 0.050 . 1 . . . . . 37 SER C . 52650 1 170 . 1 . 1 37 37 SER CA C 13 56.96 0.050 . 1 . . . . . 37 SER CA . 52650 1 171 . 1 . 1 37 37 SER CB C 13 64.78 0.050 . 1 . . . . . 37 SER CB . 52650 1 172 . 1 . 1 37 37 SER N N 15 113.36 0.050 . 1 . . . . . 37 SER N . 52650 1 173 . 1 . 1 38 38 ASP H H 1 9.059 0.005 . 1 . . . . . 38 ASP H . 52650 1 174 . 1 . 1 38 38 ASP C C 13 176.64 0.050 . 1 . . . . . 38 ASP C . 52650 1 175 . 1 . 1 38 38 ASP CA C 13 54.93 0.050 . 1 . . . . . 38 ASP CA . 52650 1 176 . 1 . 1 38 38 ASP CB C 13 41.42 0.050 . 1 . . . . . 38 ASP CB . 52650 1 177 . 1 . 1 38 38 ASP N N 15 124.14 0.050 . 1 . . . . . 38 ASP N . 52650 1 178 . 1 . 1 39 39 ILE H H 1 8.107 0.005 . 1 . . . . . 39 ILE H . 52650 1 179 . 1 . 1 39 39 ILE C C 13 175.10 0.050 . 1 . . . . . 39 ILE C . 52650 1 180 . 1 . 1 39 39 ILE CA C 13 61.40 0.050 . 1 . . . . . 39 ILE CA . 52650 1 181 . 1 . 1 39 39 ILE CB C 13 40.09 0.050 . 1 . . . . . 39 ILE CB . 52650 1 182 . 1 . 1 39 39 ILE N N 15 114.50 0.050 . 1 . . . . . 39 ILE N . 52650 1 183 . 1 . 1 40 40 ASP H H 1 8.039 0.005 . 1 . . . . . 40 ASP H . 52650 1 184 . 1 . 1 40 40 ASP C C 13 175.12 0.050 . 1 . . . . . 40 ASP C . 52650 1 185 . 1 . 1 40 40 ASP CA C 13 53.96 0.050 . 1 . . . . . 40 ASP CA . 52650 1 186 . 1 . 1 40 40 ASP CB C 13 41.40 0.050 . 1 . . . . . 40 ASP CB . 52650 1 187 . 1 . 1 40 40 ASP N N 15 121.82 0.050 . 1 . . . . . 40 ASP N . 52650 1 188 . 1 . 1 41 41 ASP H H 1 8.163 0.005 . 1 . . . . . 41 ASP H . 52650 1 189 . 1 . 1 41 41 ASP C C 13 175.37 0.050 . 1 . . . . . 41 ASP C . 52650 1 190 . 1 . 1 41 41 ASP CA C 13 54.01 0.050 . 1 . . . . . 41 ASP CA . 52650 1 191 . 1 . 1 41 41 ASP CB C 13 40.86 0.050 . 1 . . . . . 41 ASP CB . 52650 1 192 . 1 . 1 41 41 ASP N N 15 116.20 0.050 . 1 . . . . . 41 ASP N . 52650 1 193 . 1 . 1 42 42 TRP H H 1 7.976 0.005 . 1 . . . . . 42 TRP H . 52650 1 194 . 1 . 1 42 42 TRP C C 13 175.61 0.050 . 1 . . . . . 42 TRP C . 52650 1 195 . 1 . 1 42 42 TRP CA C 13 56.59 0.050 . 1 . . . . . 42 TRP CA . 52650 1 196 . 1 . 1 42 42 TRP CB C 13 29.83 0.050 . 1 . . . . . 42 TRP CB . 52650 1 197 . 1 . 1 42 42 TRP N N 15 120.14 0.050 . 1 . . . . . 42 TRP N . 52650 1 198 . 1 . 1 43 43 TRP H H 1 9.129 0.005 . 1 . . . . . 43 TRP H . 52650 1 199 . 1 . 1 43 43 TRP C C 13 174.94 0.050 . 1 . . . . . 43 TRP C . 52650 1 200 . 1 . 1 43 43 TRP CA C 13 53.98 0.050 . 1 . . . . . 43 TRP CA . 52650 1 201 . 1 . 1 43 43 TRP CB C 13 31.21 0.050 . 1 . . . . . 43 TRP CB . 52650 1 202 . 1 . 1 43 43 TRP N N 15 127.67 0.050 . 1 . . . . . 43 TRP N . 52650 1 203 . 1 . 1 44 44 THR H H 1 8.883 0.005 . 1 . . . . . 44 THR H . 52650 1 204 . 1 . 1 44 44 THR C C 13 174.61 0.050 . 1 . . . . . 44 THR C . 52650 1 205 . 1 . 1 44 44 THR CA C 13 63.39 0.050 . 1 . . . . . 44 THR CA . 52650 1 206 . 1 . 1 44 44 THR CB C 13 68.78 0.050 . 1 . . . . . 44 THR CB . 52650 1 207 . 1 . 1 44 44 THR N N 15 118.03 0.050 . 1 . . . . . 44 THR N . 52650 1 208 . 1 . 1 45 45 VAL H H 1 9.245 0.005 . 1 . . . . . 45 VAL H . 52650 1 209 . 1 . 1 45 45 VAL C C 13 172.01 0.050 . 1 . . . . . 45 VAL C . 52650 1 210 . 1 . 1 45 45 VAL CA C 13 58.24 0.050 . 1 . . . . . 45 VAL CA . 52650 1 211 . 1 . 1 45 45 VAL CB C 13 35.88 0.050 . 1 . . . . . 45 VAL CB . 52650 1 212 . 1 . 1 45 45 VAL N N 15 120.35 0.050 . 1 . . . . . 45 VAL N . 52650 1 213 . 1 . 1 46 46 LYS H H 1 8.843 0.005 . 1 . . . . . 46 LYS H . 52650 1 214 . 1 . 1 46 46 LYS C C 13 175.03 0.050 . 1 . . . . . 46 LYS C . 52650 1 215 . 1 . 1 46 46 LYS CA C 13 53.19 0.050 . 1 . . . . . 46 LYS CA . 52650 1 216 . 1 . 1 46 46 LYS CB C 13 36.63 0.050 . 1 . . . . . 46 LYS CB . 52650 1 217 . 1 . 1 46 46 LYS N N 15 120.44 0.050 . 1 . . . . . 46 LYS N . 52650 1 218 . 1 . 1 47 47 LYS H H 1 8.489 0.005 . 1 . . . . . 47 LYS H . 52650 1 219 . 1 . 1 47 47 LYS C C 13 173.48 0.050 . 1 . . . . . 47 LYS C . 52650 1 220 . 1 . 1 47 47 LYS CA C 13 55.97 0.050 . 1 . . . . . 47 LYS CA . 52650 1 221 . 1 . 1 47 47 LYS CB C 13 34.85 0.050 . 1 . . . . . 47 LYS CB . 52650 1 222 . 1 . 1 47 47 LYS N N 15 127.21 0.050 . 1 . . . . . 47 LYS N . 52650 1 223 . 1 . 1 48 48 ARG H H 1 7.669 0.005 . 1 . . . . . 48 ARG H . 52650 1 224 . 1 . 1 48 48 ARG C C 13 176.78 0.050 . 1 . . . . . 48 ARG C . 52650 1 225 . 1 . 1 48 48 ARG CA C 13 56.49 0.050 . 1 . . . . . 48 ARG CA . 52650 1 226 . 1 . 1 48 48 ARG CB C 13 30.01 0.050 . 1 . . . . . 48 ARG CB . 52650 1 227 . 1 . 1 48 48 ARG N N 15 124.55 0.050 . 1 . . . . . 48 ARG N . 52650 1 228 . 1 . 1 49 49 VAL H H 1 9.409 0.005 . 1 . . . . . 49 VAL H . 52650 1 229 . 1 . 1 49 49 VAL C C 13 175.43 0.050 . 1 . . . . . 49 VAL C . 52650 1 230 . 1 . 1 49 49 VAL CA C 13 61.73 0.050 . 1 . . . . . 49 VAL CA . 52650 1 231 . 1 . 1 49 49 VAL CB C 13 34.08 0.050 . 1 . . . . . 49 VAL CB . 52650 1 232 . 1 . 1 49 49 VAL N N 15 129.71 0.050 . 1 . . . . . 49 VAL N . 52650 1 233 . 1 . 1 50 50 ILE H H 1 8.650 0.005 . 1 . . . . . 50 ILE H . 52650 1 234 . 1 . 1 50 50 ILE C C 13 177.13 0.050 . 1 . . . . . 50 ILE C . 52650 1 235 . 1 . 1 50 50 ILE CA C 13 62.19 0.050 . 1 . . . . . 50 ILE CA . 52650 1 236 . 1 . 1 50 50 ILE CB C 13 38.38 0.050 . 1 . . . . . 50 ILE CB . 52650 1 237 . 1 . 1 50 50 ILE N N 15 126.92 0.050 . 1 . . . . . 50 ILE N . 52650 1 238 . 1 . 1 51 51 GLY H H 1 8.818 0.005 . 1 . . . . . 51 GLY H . 52650 1 239 . 1 . 1 51 51 GLY C C 13 174.37 0.050 . 1 . . . . . 51 GLY C . 52650 1 240 . 1 . 1 51 51 GLY CA C 13 45.23 0.050 . 1 . . . . . 51 GLY CA . 52650 1 241 . 1 . 1 51 51 GLY N N 15 115.42 0.050 . 1 . . . . . 51 GLY N . 52650 1 242 . 1 . 1 52 52 SER H H 1 8.143 0.005 . 1 . . . . . 52 SER H . 52650 1 243 . 1 . 1 52 52 SER C C 13 174.67 0.050 . 1 . . . . . 52 SER C . 52650 1 244 . 1 . 1 52 52 SER CA C 13 58.46 0.050 . 1 . . . . . 52 SER CA . 52650 1 245 . 1 . 1 52 52 SER CB C 13 63.83 0.050 . 1 . . . . . 52 SER CB . 52650 1 246 . 1 . 1 52 52 SER N N 15 114.91 0.050 . 1 . . . . . 52 SER N . 52650 1 247 . 1 . 1 53 53 ASP H H 1 8.572 0.005 . 1 . . . . . 53 ASP H . 52650 1 248 . 1 . 1 53 53 ASP C C 13 176.04 0.050 . 1 . . . . . 53 ASP C . 52650 1 249 . 1 . 1 53 53 ASP CA C 13 54.48 0.050 . 1 . . . . . 53 ASP CA . 52650 1 250 . 1 . 1 53 53 ASP CB C 13 40.77 0.050 . 1 . . . . . 53 ASP CB . 52650 1 251 . 1 . 1 53 53 ASP N N 15 122.21 0.050 . 1 . . . . . 53 ASP N . 52650 1 252 . 1 . 1 54 54 SER H H 1 7.856 0.005 . 1 . . . . . 54 SER H . 52650 1 253 . 1 . 1 54 54 SER C C 13 173.69 0.050 . 1 . . . . . 54 SER C . 52650 1 254 . 1 . 1 54 54 SER CA C 13 58.25 0.050 . 1 . . . . . 54 SER CA . 52650 1 255 . 1 . 1 54 54 SER CB C 13 64.53 0.050 . 1 . . . . . 54 SER CB . 52650 1 256 . 1 . 1 54 54 SER N N 15 114.44 0.050 . 1 . . . . . 54 SER N . 52650 1 257 . 1 . 1 55 55 GLU H H 1 8.454 0.005 . 1 . . . . . 55 GLU H . 52650 1 258 . 1 . 1 55 55 GLU C C 13 176.46 0.050 . 1 . . . . . 55 GLU C . 52650 1 259 . 1 . 1 55 55 GLU CA C 13 56.42 0.050 . 1 . . . . . 55 GLU CA . 52650 1 260 . 1 . 1 55 55 GLU CB C 13 30.28 0.050 . 1 . . . . . 55 GLU CB . 52650 1 261 . 1 . 1 55 55 GLU N N 15 122.30 0.050 . 1 . . . . . 55 GLU N . 52650 1 262 . 1 . 1 56 56 GLU H H 1 8.642 0.005 . 1 . . . . . 56 GLU H . 52650 1 263 . 1 . 1 56 56 GLU C C 13 174.41 0.050 . 1 . . . . . 56 GLU C . 52650 1 264 . 1 . 1 56 56 GLU CA C 13 54.63 0.050 . 1 . . . . . 56 GLU CA . 52650 1 265 . 1 . 1 56 56 GLU CB C 13 29.42 0.050 . 1 . . . . . 56 GLU CB . 52650 1 266 . 1 . 1 56 56 GLU N N 15 126.02 0.050 . 1 . . . . . 56 GLU N . 52650 1 267 . 1 . 1 57 57 PRO C C 13 174.57 0.050 . 1 . . . . . 57 PRO C . 52650 1 268 . 1 . 1 57 57 PRO CA C 13 62.82 0.050 . 1 . . . . . 57 PRO CA . 52650 1 269 . 1 . 1 57 57 PRO CB C 13 32.59 0.050 . 1 . . . . . 57 PRO CB . 52650 1 270 . 1 . 1 58 58 VAL H H 1 8.027 0.005 . 1 . . . . . 58 VAL H . 52650 1 271 . 1 . 1 58 58 VAL C C 13 176.75 0.050 . 1 . . . . . 58 VAL C . 52650 1 272 . 1 . 1 58 58 VAL CA C 13 59.91 0.050 . 1 . . . . . 58 VAL CA . 52650 1 273 . 1 . 1 58 58 VAL CB C 13 35.54 0.050 . 1 . . . . . 58 VAL CB . 52650 1 274 . 1 . 1 58 58 VAL N N 15 118.69 0.050 . 1 . . . . . 58 VAL N . 52650 1 275 . 1 . 1 59 59 GLY H H 1 8.902 0.005 . 1 . . . . . 59 GLY H . 52650 1 276 . 1 . 1 59 59 GLY C C 13 170.40 0.050 . 1 . . . . . 59 GLY C . 52650 1 277 . 1 . 1 59 59 GLY CA C 13 45.51 0.050 . 1 . . . . . 59 GLY CA . 52650 1 278 . 1 . 1 59 59 GLY N N 15 112.20 0.050 . 1 . . . . . 59 GLY N . 52650 1 279 . 1 . 1 60 60 LEU H H 1 8.436 0.005 . 1 . . . . . 60 LEU H . 52650 1 280 . 1 . 1 60 60 LEU C C 13 177.81 0.050 . 1 . . . . . 60 LEU C . 52650 1 281 . 1 . 1 60 60 LEU CA C 13 54.53 0.050 . 1 . . . . . 60 LEU CA . 52650 1 282 . 1 . 1 60 60 LEU CB C 13 45.24 0.050 . 1 . . . . . 60 LEU CB . 52650 1 283 . 1 . 1 60 60 LEU N N 15 118.72 0.050 . 1 . . . . . 60 LEU N . 52650 1 284 . 1 . 1 61 61 VAL H H 1 9.144 0.005 . 1 . . . . . 61 VAL H . 52650 1 285 . 1 . 1 61 61 VAL C C 13 171.94 0.050 . 1 . . . . . 61 VAL C . 52650 1 286 . 1 . 1 61 61 VAL CA C 13 57.56 0.050 . 1 . . . . . 61 VAL CA . 52650 1 287 . 1 . 1 61 61 VAL CB C 13 34.04 0.050 . 1 . . . . . 61 VAL CB . 52650 1 288 . 1 . 1 61 61 VAL N N 15 112.57 0.050 . 1 . . . . . 61 VAL N . 52650 1 289 . 1 . 1 62 62 PRO C C 13 179.98 0.050 . 1 . . . . . 62 PRO C . 52650 1 290 . 1 . 1 62 62 PRO CA C 13 60.98 0.050 . 1 . . . . . 62 PRO CA . 52650 1 291 . 1 . 1 62 62 PRO CB C 13 30.25 0.050 . 1 . . . . . 62 PRO CB . 52650 1 292 . 1 . 1 63 63 SER H H 1 8.490 0.005 . 1 . . . . . 63 SER H . 52650 1 293 . 1 . 1 63 63 SER C C 13 176.22 0.050 . 1 . . . . . 63 SER C . 52650 1 294 . 1 . 1 63 63 SER CA C 13 61.40 0.050 . 1 . . . . . 63 SER CA . 52650 1 295 . 1 . 1 63 63 SER CB C 13 60.43 0.050 . 1 . . . . . 63 SER CB . 52650 1 296 . 1 . 1 63 63 SER N N 15 122.01 0.050 . 1 . . . . . 63 SER N . 52650 1 297 . 1 . 1 64 64 THR H H 1 6.948 0.005 . 1 . . . . . 64 THR H . 52650 1 298 . 1 . 1 64 64 THR C C 13 175.98 0.050 . 1 . . . . . 64 THR C . 52650 1 299 . 1 . 1 64 64 THR CA C 13 62.26 0.050 . 1 . . . . . 64 THR CA . 52650 1 300 . 1 . 1 64 64 THR CB C 13 69.16 0.050 . 1 . . . . . 64 THR CB . 52650 1 301 . 1 . 1 64 64 THR N N 15 107.82 0.050 . 1 . . . . . 64 THR N . 52650 1 302 . 1 . 1 65 65 TYR H H 1 7.957 0.005 . 1 . . . . . 65 TYR H . 52650 1 303 . 1 . 1 65 65 TYR C C 13 174.73 0.050 . 1 . . . . . 65 TYR C . 52650 1 304 . 1 . 1 65 65 TYR CA C 13 58.58 0.050 . 1 . . . . . 65 TYR CA . 52650 1 305 . 1 . 1 65 65 TYR CB C 13 37.69 0.050 . 1 . . . . . 65 TYR CB . 52650 1 306 . 1 . 1 65 65 TYR N N 15 121.47 0.050 . 1 . . . . . 65 TYR N . 52650 1 307 . 1 . 1 66 66 ILE H H 1 7.330 0.005 . 1 . . . . . 66 ILE H . 52650 1 308 . 1 . 1 66 66 ILE C C 13 173.42 0.050 . 1 . . . . . 66 ILE C . 52650 1 309 . 1 . 1 66 66 ILE CA C 13 58.75 0.050 . 1 . . . . . 66 ILE CA . 52650 1 310 . 1 . 1 66 66 ILE CB C 13 41.96 0.050 . 1 . . . . . 66 ILE CB . 52650 1 311 . 1 . 1 66 66 ILE N N 15 111.18 0.050 . 1 . . . . . 66 ILE N . 52650 1 312 . 1 . 1 67 67 GLU H H 1 8.972 0.005 . 1 . . . . . 67 GLU H . 52650 1 313 . 1 . 1 67 67 GLU C C 13 174.57 0.050 . 1 . . . . . 67 GLU C . 52650 1 314 . 1 . 1 67 67 GLU CA C 13 53.84 0.050 . 1 . . . . . 67 GLU CA . 52650 1 315 . 1 . 1 67 67 GLU CB C 13 33.30 0.050 . 1 . . . . . 67 GLU CB . 52650 1 316 . 1 . 1 67 67 GLU N N 15 118.25 0.050 . 1 . . . . . 67 GLU N . 52650 1 317 . 1 . 1 68 68 GLU H H 1 9.058 0.005 . 1 . . . . . 68 GLU H . 52650 1 318 . 1 . 1 68 68 GLU C C 13 176.08 0.050 . 1 . . . . . 68 GLU C . 52650 1 319 . 1 . 1 68 68 GLU CA C 13 58.29 0.050 . 1 . . . . . 68 GLU CA . 52650 1 320 . 1 . 1 68 68 GLU CB C 13 29.34 0.050 . 1 . . . . . 68 GLU CB . 52650 1 321 . 1 . 1 68 68 GLU N N 15 124.76 0.050 . 1 . . . . . 68 GLU N . 52650 1 322 . 1 . 1 69 69 ALA H H 1 8.523 0.005 . 1 . . . . . 69 ALA H . 52650 1 323 . 1 . 1 69 69 ALA C C 13 174.62 0.050 . 1 . . . . . 69 ALA C . 52650 1 324 . 1 . 1 69 69 ALA CA C 13 50.71 0.050 . 1 . . . . . 69 ALA CA . 52650 1 325 . 1 . 1 69 69 ALA CB C 13 17.71 0.050 . 1 . . . . . 69 ALA CB . 52650 1 326 . 1 . 1 69 69 ALA N N 15 128.69 0.050 . 1 . . . . . 69 ALA N . 52650 1 327 . 1 . 1 70 70 PRO C C 13 176.01 0.050 . 1 . . . . . 70 PRO C . 52650 1 328 . 1 . 1 70 70 PRO CA C 13 62.05 0.050 . 1 . . . . . 70 PRO CA . 52650 1 329 . 1 . 1 70 70 PRO CB C 13 32.03 0.050 . 1 . . . . . 70 PRO CB . 52650 1 330 . 1 . 1 71 71 VAL H H 1 8.244 0.005 . 1 . . . . . 71 VAL H . 52650 1 331 . 1 . 1 71 71 VAL C C 13 177.58 0.050 . 1 . . . . . 71 VAL C . 52650 1 332 . 1 . 1 71 71 VAL CA C 13 62.87 0.050 . 1 . . . . . 71 VAL CA . 52650 1 333 . 1 . 1 71 71 VAL CB C 13 31.52 0.050 . 1 . . . . . 71 VAL CB . 52650 1 334 . 1 . 1 71 71 VAL N N 15 120.01 0.050 . 1 . . . . . 71 VAL N . 52650 1 335 . 1 . 1 72 72 LEU H H 1 8.989 0.005 . 1 . . . . . 72 LEU H . 52650 1 336 . 1 . 1 72 72 LEU C C 13 177.49 0.050 . 1 . . . . . 72 LEU C . 52650 1 337 . 1 . 1 72 72 LEU CA C 13 56.77 0.050 . 1 . . . . . 72 LEU CA . 52650 1 338 . 1 . 1 72 72 LEU CB C 13 43.28 0.050 . 1 . . . . . 72 LEU CB . 52650 1 339 . 1 . 1 72 72 LEU N N 15 128.99 0.050 . 1 . . . . . 72 LEU N . 52650 1 340 . 1 . 1 73 73 LYS H H 1 7.388 0.005 . 1 . . . . . 73 LYS H . 52650 1 341 . 1 . 1 73 73 LYS C C 13 172.44 0.050 . 1 . . . . . 73 LYS C . 52650 1 342 . 1 . 1 73 73 LYS CA C 13 54.58 0.050 . 1 . . . . . 73 LYS CA . 52650 1 343 . 1 . 1 73 73 LYS CB C 13 32.30 0.050 . 1 . . . . . 73 LYS CB . 52650 1 344 . 1 . 1 73 73 LYS N N 15 110.87 0.050 . 1 . . . . . 73 LYS N . 52650 1 345 . 1 . 1 74 74 LYS H H 1 8.652 0.005 . 1 . . . . . 74 LYS H . 52650 1 346 . 1 . 1 74 74 LYS C C 13 177.10 0.050 . 1 . . . . . 74 LYS C . 52650 1 347 . 1 . 1 74 74 LYS CA C 13 54.88 0.050 . 1 . . . . . 74 LYS CA . 52650 1 348 . 1 . 1 74 74 LYS CB C 13 35.71 0.050 . 1 . . . . . 74 LYS CB . 52650 1 349 . 1 . 1 74 74 LYS N N 15 118.75 0.050 . 1 . . . . . 74 LYS N . 52650 1 350 . 1 . 1 75 75 VAL H H 1 8.726 0.005 . 1 . . . . . 75 VAL H . 52650 1 351 . 1 . 1 75 75 VAL C C 13 172.99 0.050 . 1 . . . . . 75 VAL C . 52650 1 352 . 1 . 1 75 75 VAL CA C 13 58.41 0.050 . 1 . . . . . 75 VAL CA . 52650 1 353 . 1 . 1 75 75 VAL CB C 13 36.14 0.050 . 1 . . . . . 75 VAL CB . 52650 1 354 . 1 . 1 75 75 VAL N N 15 112.05 0.050 . 1 . . . . . 75 VAL N . 52650 1 355 . 1 . 1 76 76 ARG H H 1 9.426 0.005 . 1 . . . . . 76 ARG H . 52650 1 356 . 1 . 1 76 76 ARG C C 13 175.59 0.050 . 1 . . . . . 76 ARG C . 52650 1 357 . 1 . 1 76 76 ARG CA C 13 53.14 0.050 . 1 . . . . . 76 ARG CA . 52650 1 358 . 1 . 1 76 76 ARG CB C 13 34.71 0.050 . 1 . . . . . 76 ARG CB . 52650 1 359 . 1 . 1 76 76 ARG N N 15 122.09 0.050 . 1 . . . . . 76 ARG N . 52650 1 360 . 1 . 1 77 77 ALA H H 1 9.307 0.005 . 1 . . . . . 77 ALA H . 52650 1 361 . 1 . 1 77 77 ALA C C 13 179.57 0.050 . 1 . . . . . 77 ALA C . 52650 1 362 . 1 . 1 77 77 ALA CA C 13 52.58 0.050 . 1 . . . . . 77 ALA CA . 52650 1 363 . 1 . 1 77 77 ALA CB C 13 21.04 0.050 . 1 . . . . . 77 ALA CB . 52650 1 364 . 1 . 1 77 77 ALA N N 15 126.63 0.050 . 1 . . . . . 77 ALA N . 52650 1 365 . 1 . 1 78 78 ILE H H 1 9.027 0.005 . 1 . . . . . 78 ILE H . 52650 1 366 . 1 . 1 78 78 ILE C C 13 174.15 0.050 . 1 . . . . . 78 ILE C . 52650 1 367 . 1 . 1 78 78 ILE CA C 13 61.63 0.050 . 1 . . . . . 78 ILE CA . 52650 1 368 . 1 . 1 78 78 ILE CB C 13 38.74 0.050 . 1 . . . . . 78 ILE CB . 52650 1 369 . 1 . 1 78 78 ILE N N 15 118.92 0.050 . 1 . . . . . 78 ILE N . 52650 1 370 . 1 . 1 79 79 TYR H H 1 7.336 0.005 . 1 . . . . . 79 TYR H . 52650 1 371 . 1 . 1 79 79 TYR C C 13 174.23 0.050 . 1 . . . . . 79 TYR C . 52650 1 372 . 1 . 1 79 79 TYR CA C 13 54.73 0.050 . 1 . . . . . 79 TYR CA . 52650 1 373 . 1 . 1 79 79 TYR CB C 13 43.06 0.050 . 1 . . . . . 79 TYR CB . 52650 1 374 . 1 . 1 79 79 TYR N N 15 115.97 0.050 . 1 . . . . . 79 TYR N . 52650 1 375 . 1 . 1 80 80 ASP H H 1 8.490 0.005 . 1 . . . . . 80 ASP H . 52650 1 376 . 1 . 1 80 80 ASP C C 13 175.55 0.050 . 1 . . . . . 80 ASP C . 52650 1 377 . 1 . 1 80 80 ASP CA C 13 54.51 0.050 . 1 . . . . . 80 ASP CA . 52650 1 378 . 1 . 1 80 80 ASP CB C 13 42.47 0.050 . 1 . . . . . 80 ASP CB . 52650 1 379 . 1 . 1 80 80 ASP N N 15 116.97 0.050 . 1 . . . . . 80 ASP N . 52650 1 380 . 1 . 1 81 81 TYR H H 1 7.974 0.005 . 1 . . . . . 81 TYR H . 52650 1 381 . 1 . 1 81 81 TYR C C 13 173.71 0.050 . 1 . . . . . 81 TYR C . 52650 1 382 . 1 . 1 81 81 TYR CA C 13 57.34 0.050 . 1 . . . . . 81 TYR CA . 52650 1 383 . 1 . 1 81 81 TYR CB C 13 39.59 0.050 . 1 . . . . . 81 TYR CB . 52650 1 384 . 1 . 1 81 81 TYR N N 15 123.06 0.050 . 1 . . . . . 81 TYR N . 52650 1 385 . 1 . 1 82 82 GLU H H 1 8.218 0.005 . 1 . . . . . 82 GLU H . 52650 1 386 . 1 . 1 82 82 GLU C C 13 175.70 0.050 . 1 . . . . . 82 GLU C . 52650 1 387 . 1 . 1 82 82 GLU CA C 13 56.49 0.050 . 1 . . . . . 82 GLU CA . 52650 1 388 . 1 . 1 82 82 GLU CB C 13 31.93 0.050 . 1 . . . . . 82 GLU CB . 52650 1 389 . 1 . 1 82 82 GLU N N 15 122.02 0.050 . 1 . . . . . 82 GLU N . 52650 1 390 . 1 . 1 83 83 GLN H H 1 7.236 0.005 . 1 . . . . . 83 GLN H . 52650 1 391 . 1 . 1 83 83 GLN C C 13 174.32 0.050 . 1 . . . . . 83 GLN C . 52650 1 392 . 1 . 1 83 83 GLN CA C 13 54.55 0.050 . 1 . . . . . 83 GLN CA . 52650 1 393 . 1 . 1 83 83 GLN CB C 13 29.45 0.050 . 1 . . . . . 83 GLN CB . 52650 1 394 . 1 . 1 83 83 GLN N N 15 119.70 0.050 . 1 . . . . . 83 GLN N . 52650 1 395 . 1 . 1 84 84 VAL H H 1 7.778 0.005 . 1 . . . . . 84 VAL H . 52650 1 396 . 1 . 1 84 84 VAL C C 13 176.43 0.050 . 1 . . . . . 84 VAL C . 52650 1 397 . 1 . 1 84 84 VAL CA C 13 60.21 0.050 . 1 . . . . . 84 VAL CA . 52650 1 398 . 1 . 1 84 84 VAL CB C 13 32.28 0.050 . 1 . . . . . 84 VAL CB . 52650 1 399 . 1 . 1 84 84 VAL N N 15 117.37 0.050 . 1 . . . . . 84 VAL N . 52650 1 400 . 1 . 1 85 85 GLN H H 1 9.037 0.005 . 1 . . . . . 85 GLN H . 52650 1 401 . 1 . 1 85 85 GLN C C 13 176.53 0.050 . 1 . . . . . 85 GLN C . 52650 1 402 . 1 . 1 85 85 GLN CA C 13 57.11 0.050 . 1 . . . . . 85 GLN CA . 52650 1 403 . 1 . 1 85 85 GLN CB C 13 29.05 0.050 . 1 . . . . . 85 GLN CB . 52650 1 404 . 1 . 1 85 85 GLN N N 15 122.09 0.050 . 1 . . . . . 85 GLN N . 52650 1 405 . 1 . 1 86 86 ASN H H 1 8.615 0.005 . 1 . . . . . 86 ASN H . 52650 1 406 . 1 . 1 86 86 ASN C C 13 175.22 0.050 . 1 . . . . . 86 ASN C . 52650 1 407 . 1 . 1 86 86 ASN CA C 13 52.31 0.050 . 1 . . . . . 86 ASN CA . 52650 1 408 . 1 . 1 86 86 ASN CB C 13 38.60 0.050 . 1 . . . . . 86 ASN CB . 52650 1 409 . 1 . 1 86 86 ASN N N 15 118.32 0.050 . 1 . . . . . 86 ASN N . 52650 1 410 . 1 . 1 87 87 ALA H H 1 8.772 0.005 . 1 . . . . . 87 ALA H . 52650 1 411 . 1 . 1 87 87 ALA C C 13 177.63 0.050 . 1 . . . . . 87 ALA C . 52650 1 412 . 1 . 1 87 87 ALA CA C 13 53.08 0.050 . 1 . . . . . 87 ALA CA . 52650 1 413 . 1 . 1 87 87 ALA CB C 13 18.67 0.050 . 1 . . . . . 87 ALA CB . 52650 1 414 . 1 . 1 87 87 ALA N N 15 126.64 0.050 . 1 . . . . . 87 ALA N . 52650 1 415 . 1 . 1 88 88 ASP H H 1 8.262 0.005 . 1 . . . . . 88 ASP H . 52650 1 416 . 1 . 1 88 88 ASP C C 13 176.50 0.050 . 1 . . . . . 88 ASP C . 52650 1 417 . 1 . 1 88 88 ASP CA C 13 55.68 0.050 . 1 . . . . . 88 ASP CA . 52650 1 418 . 1 . 1 88 88 ASP CB C 13 41.10 0.050 . 1 . . . . . 88 ASP CB . 52650 1 419 . 1 . 1 88 88 ASP N N 15 116.26 0.050 . 1 . . . . . 88 ASP N . 52650 1 420 . 1 . 1 89 89 GLU H H 1 7.524 0.005 . 1 . . . . . 89 GLU H . 52650 1 421 . 1 . 1 89 89 GLU C C 13 175.40 0.050 . 1 . . . . . 89 GLU C . 52650 1 422 . 1 . 1 89 89 GLU CA C 13 56.71 0.050 . 1 . . . . . 89 GLU CA . 52650 1 423 . 1 . 1 89 89 GLU CB C 13 32.77 0.050 . 1 . . . . . 89 GLU CB . 52650 1 424 . 1 . 1 89 89 GLU N N 15 114.79 0.050 . 1 . . . . . 89 GLU N . 52650 1 425 . 1 . 1 90 90 GLU H H 1 7.646 0.005 . 1 . . . . . 90 GLU H . 52650 1 426 . 1 . 1 90 90 GLU C C 13 176.10 0.050 . 1 . . . . . 90 GLU C . 52650 1 427 . 1 . 1 90 90 GLU CA C 13 55.77 0.050 . 1 . . . . . 90 GLU CA . 52650 1 428 . 1 . 1 90 90 GLU CB C 13 32.71 0.050 . 1 . . . . . 90 GLU CB . 52650 1 429 . 1 . 1 90 90 GLU N N 15 118.28 0.050 . 1 . . . . . 90 GLU N . 52650 1 430 . 1 . 1 91 91 LEU H H 1 7.762 0.005 . 1 . . . . . 91 LEU H . 52650 1 431 . 1 . 1 91 91 LEU C C 13 176.48 0.050 . 1 . . . . . 91 LEU C . 52650 1 432 . 1 . 1 91 91 LEU CA C 13 54.01 0.050 . 1 . . . . . 91 LEU CA . 52650 1 433 . 1 . 1 91 91 LEU CB C 13 42.94 0.050 . 1 . . . . . 91 LEU CB . 52650 1 434 . 1 . 1 91 91 LEU N N 15 119.70 0.050 . 1 . . . . . 91 LEU N . 52650 1 435 . 1 . 1 92 92 THR H H 1 7.781 0.005 . 1 . . . . . 92 THR H . 52650 1 436 . 1 . 1 92 92 THR C C 13 175.23 0.050 . 1 . . . . . 92 THR C . 52650 1 437 . 1 . 1 92 92 THR CA C 13 60.20 0.050 . 1 . . . . . 92 THR CA . 52650 1 438 . 1 . 1 92 92 THR CB C 13 71.00 0.050 . 1 . . . . . 92 THR CB . 52650 1 439 . 1 . 1 92 92 THR N N 15 108.58 0.050 . 1 . . . . . 92 THR N . 52650 1 440 . 1 . 1 93 93 PHE H H 1 8.129 0.005 . 1 . . . . . 93 PHE H . 52650 1 441 . 1 . 1 93 93 PHE C C 13 173.45 0.050 . 1 . . . . . 93 PHE C . 52650 1 442 . 1 . 1 93 93 PHE CA C 13 56.65 0.050 . 1 . . . . . 93 PHE CA . 52650 1 443 . 1 . 1 93 93 PHE CB C 13 40.49 0.050 . 1 . . . . . 93 PHE CB . 52650 1 444 . 1 . 1 93 93 PHE N N 15 114.91 0.050 . 1 . . . . . 93 PHE N . 52650 1 445 . 1 . 1 94 94 HIS H H 1 9.095 0.005 . 1 . . . . . 94 HIS H . 52650 1 446 . 1 . 1 94 94 HIS C C 13 173.51 0.050 . 1 . . . . . 94 HIS C . 52650 1 447 . 1 . 1 94 94 HIS CA C 13 54.99 0.050 . 1 . . . . . 94 HIS CA . 52650 1 448 . 1 . 1 94 94 HIS CB C 13 32.54 0.050 . 1 . . . . . 94 HIS CB . 52650 1 449 . 1 . 1 94 94 HIS N N 15 118.07 0.050 . 1 . . . . . 94 HIS N . 52650 1 450 . 1 . 1 95 95 GLU H H 1 9.314 0.005 . 1 . . . . . 95 GLU H . 52650 1 451 . 1 . 1 95 95 GLU C C 13 176.35 0.050 . 1 . . . . . 95 GLU C . 52650 1 452 . 1 . 1 95 95 GLU CA C 13 58.44 0.050 . 1 . . . . . 95 GLU CA . 52650 1 453 . 1 . 1 95 95 GLU CB C 13 29.86 0.050 . 1 . . . . . 95 GLU CB . 52650 1 454 . 1 . 1 95 95 GLU N N 15 121.78 0.050 . 1 . . . . . 95 GLU N . 52650 1 455 . 1 . 1 96 96 ASN H H 1 9.053 0.005 . 1 . . . . . 96 ASN H . 52650 1 456 . 1 . 1 96 96 ASN C C 13 174.70 0.050 . 1 . . . . . 96 ASN C . 52650 1 457 . 1 . 1 96 96 ASN CA C 13 56.67 0.050 . 1 . . . . . 96 ASN CA . 52650 1 458 . 1 . 1 96 96 ASN CB C 13 37.57 0.050 . 1 . . . . . 96 ASN CB . 52650 1 459 . 1 . 1 96 96 ASN N N 15 117.58 0.050 . 1 . . . . . 96 ASN N . 52650 1 460 . 1 . 1 97 97 ASP H H 1 8.447 0.005 . 1 . . . . . 97 ASP H . 52650 1 461 . 1 . 1 97 97 ASP C C 13 174.87 0.050 . 1 . . . . . 97 ASP C . 52650 1 462 . 1 . 1 97 97 ASP CA C 13 56.21 0.050 . 1 . . . . . 97 ASP CA . 52650 1 463 . 1 . 1 97 97 ASP CB C 13 41.10 0.050 . 1 . . . . . 97 ASP CB . 52650 1 464 . 1 . 1 97 97 ASP N N 15 123.18 0.050 . 1 . . . . . 97 ASP N . 52650 1 465 . 1 . 1 98 98 VAL H H 1 7.427 0.005 . 1 . . . . . 98 VAL H . 52650 1 466 . 1 . 1 98 98 VAL C C 13 176.03 0.050 . 1 . . . . . 98 VAL C . 52650 1 467 . 1 . 1 98 98 VAL CA C 13 61.16 0.050 . 1 . . . . . 98 VAL CA . 52650 1 468 . 1 . 1 98 98 VAL CB C 13 33.04 0.050 . 1 . . . . . 98 VAL CB . 52650 1 469 . 1 . 1 98 98 VAL N N 15 120.02 0.050 . 1 . . . . . 98 VAL N . 52650 1 470 . 1 . 1 99 99 PHE H H 1 9.421 0.005 . 1 . . . . . 99 PHE H . 52650 1 471 . 1 . 1 99 99 PHE C C 13 174.55 0.050 . 1 . . . . . 99 PHE C . 52650 1 472 . 1 . 1 99 99 PHE CA C 13 56.52 0.050 . 1 . . . . . 99 PHE CA . 52650 1 473 . 1 . 1 99 99 PHE CB C 13 41.76 0.050 . 1 . . . . . 99 PHE CB . 52650 1 474 . 1 . 1 99 99 PHE N N 15 126.15 0.050 . 1 . . . . . 99 PHE N . 52650 1 475 . 1 . 1 100 100 ASP H H 1 8.658 0.005 . 1 . . . . . 100 ASP H . 52650 1 476 . 1 . 1 100 100 ASP C C 13 175.40 0.050 . 1 . . . . . 100 ASP C . 52650 1 477 . 1 . 1 100 100 ASP CA C 13 53.72 0.050 . 1 . . . . . 100 ASP CA . 52650 1 478 . 1 . 1 100 100 ASP CB C 13 42.59 0.050 . 1 . . . . . 100 ASP CB . 52650 1 479 . 1 . 1 100 100 ASP N N 15 123.02 0.050 . 1 . . . . . 100 ASP N . 52650 1 480 . 1 . 1 101 101 VAL H H 1 8.600 0.005 . 1 . . . . . 101 VAL H . 52650 1 481 . 1 . 1 101 101 VAL C C 13 174.79 0.050 . 1 . . . . . 101 VAL C . 52650 1 482 . 1 . 1 101 101 VAL CA C 13 62.04 0.050 . 1 . . . . . 101 VAL CA . 52650 1 483 . 1 . 1 101 101 VAL CB C 13 32.65 0.050 . 1 . . . . . 101 VAL CB . 52650 1 484 . 1 . 1 101 101 VAL N N 15 121.18 0.050 . 1 . . . . . 101 VAL N . 52650 1 485 . 1 . 1 102 102 PHE H H 1 9.334 0.005 . 1 . . . . . 102 PHE H . 52650 1 486 . 1 . 1 102 102 PHE C C 13 175.33 0.050 . 1 . . . . . 102 PHE C . 52650 1 487 . 1 . 1 102 102 PHE CA C 13 59.08 0.050 . 1 . . . . . 102 PHE CA . 52650 1 488 . 1 . 1 102 102 PHE CB C 13 41.62 0.050 . 1 . . . . . 102 PHE CB . 52650 1 489 . 1 . 1 102 102 PHE N N 15 123.40 0.050 . 1 . . . . . 102 PHE N . 52650 1 490 . 1 . 1 103 103 ASP H H 1 7.498 0.005 . 1 . . . . . 103 ASP H . 52650 1 491 . 1 . 1 103 103 ASP C C 13 174.79 0.050 . 1 . . . . . 103 ASP C . 52650 1 492 . 1 . 1 103 103 ASP CA C 13 56.47 0.050 . 1 . . . . . 103 ASP CA . 52650 1 493 . 1 . 1 103 103 ASP CB C 13 44.75 0.050 . 1 . . . . . 103 ASP CB . 52650 1 494 . 1 . 1 103 103 ASP N N 15 114.51 0.050 . 1 . . . . . 103 ASP N . 52650 1 495 . 1 . 1 104 104 ASP H H 1 8.253 0.005 . 1 . . . . . 104 ASP H . 52650 1 496 . 1 . 1 104 104 ASP C C 13 176.16 0.050 . 1 . . . . . 104 ASP C . 52650 1 497 . 1 . 1 104 104 ASP CA C 13 52.36 0.050 . 1 . . . . . 104 ASP CA . 52650 1 498 . 1 . 1 104 104 ASP CB C 13 41.40 0.050 . 1 . . . . . 104 ASP CB . 52650 1 499 . 1 . 1 104 104 ASP N N 15 128.18 0.050 . 1 . . . . . 104 ASP N . 52650 1 500 . 1 . 1 105 105 LYS H H 1 8.219 0.005 . 1 . . . . . 105 LYS H . 52650 1 501 . 1 . 1 105 105 LYS C C 13 177.90 0.050 . 1 . . . . . 105 LYS C . 52650 1 502 . 1 . 1 105 105 LYS CA C 13 59.22 0.050 . 1 . . . . . 105 LYS CA . 52650 1 503 . 1 . 1 105 105 LYS CB C 13 32.25 0.050 . 1 . . . . . 105 LYS CB . 52650 1 504 . 1 . 1 105 105 LYS N N 15 120.01 0.050 . 1 . . . . . 105 LYS N . 52650 1 505 . 1 . 1 106 106 ASP H H 1 8.435 0.005 . 1 . . . . . 106 ASP H . 52650 1 506 . 1 . 1 106 106 ASP C C 13 175.61 0.050 . 1 . . . . . 106 ASP C . 52650 1 507 . 1 . 1 106 106 ASP CA C 13 52.71 0.050 . 1 . . . . . 106 ASP CA . 52650 1 508 . 1 . 1 106 106 ASP CB C 13 41.61 0.050 . 1 . . . . . 106 ASP CB . 52650 1 509 . 1 . 1 106 106 ASP N N 15 119.72 0.050 . 1 . . . . . 106 ASP N . 52650 1 510 . 1 . 1 107 107 ALA H H 1 8.275 0.005 . 1 . . . . . 107 ALA H . 52650 1 511 . 1 . 1 107 107 ALA C C 13 178.54 0.050 . 1 . . . . . 107 ALA C . 52650 1 512 . 1 . 1 107 107 ALA CA C 13 54.40 0.050 . 1 . . . . . 107 ALA CA . 52650 1 513 . 1 . 1 107 107 ALA CB C 13 18.92 0.050 . 1 . . . . . 107 ALA CB . 52650 1 514 . 1 . 1 107 107 ALA N N 15 124.70 0.050 . 1 . . . . . 107 ALA N . 52650 1 515 . 1 . 1 108 108 ASP H H 1 8.255 0.005 . 1 . . . . . 108 ASP H . 52650 1 516 . 1 . 1 108 108 ASP C C 13 177.04 0.050 . 1 . . . . . 108 ASP C . 52650 1 517 . 1 . 1 108 108 ASP CA C 13 55.71 0.050 . 1 . . . . . 108 ASP CA . 52650 1 518 . 1 . 1 108 108 ASP CB C 13 42.06 0.050 . 1 . . . . . 108 ASP CB . 52650 1 519 . 1 . 1 108 108 ASP N N 15 113.82 0.050 . 1 . . . . . 108 ASP N . 52650 1 520 . 1 . 1 109 109 TRP H H 1 7.747 0.005 . 1 . . . . . 109 TRP H . 52650 1 521 . 1 . 1 109 109 TRP C C 13 174.61 0.050 . 1 . . . . . 109 TRP C . 52650 1 522 . 1 . 1 109 109 TRP CA C 13 55.35 0.050 . 1 . . . . . 109 TRP CA . 52650 1 523 . 1 . 1 109 109 TRP CB C 13 32.06 0.050 . 1 . . . . . 109 TRP CB . 52650 1 524 . 1 . 1 109 109 TRP N N 15 122.75 0.050 . 1 . . . . . 109 TRP N . 52650 1 525 . 1 . 1 110 110 LEU H H 1 8.987 0.005 . 1 . . . . . 110 LEU H . 52650 1 526 . 1 . 1 110 110 LEU C C 13 175.72 0.050 . 1 . . . . . 110 LEU C . 52650 1 527 . 1 . 1 110 110 LEU CA C 13 54.44 0.050 . 1 . . . . . 110 LEU CA . 52650 1 528 . 1 . 1 110 110 LEU CB C 13 44.01 0.050 . 1 . . . . . 110 LEU CB . 52650 1 529 . 1 . 1 110 110 LEU N N 15 122.89 0.050 . 1 . . . . . 110 LEU N . 52650 1 530 . 1 . 1 111 111 LEU H H 1 7.933 0.005 . 1 . . . . . 111 LEU H . 52650 1 531 . 1 . 1 111 111 LEU C C 13 176.34 0.050 . 1 . . . . . 111 LEU C . 52650 1 532 . 1 . 1 111 111 LEU CA C 13 54.81 0.050 . 1 . . . . . 111 LEU CA . 52650 1 533 . 1 . 1 111 111 LEU CB C 13 43.28 0.050 . 1 . . . . . 111 LEU CB . 52650 1 534 . 1 . 1 111 111 LEU N N 15 124.45 0.050 . 1 . . . . . 111 LEU N . 52650 1 535 . 1 . 1 112 112 VAL H H 1 9.295 0.005 . 1 . . . . . 112 VAL H . 52650 1 536 . 1 . 1 112 112 VAL C C 13 174.16 0.050 . 1 . . . . . 112 VAL C . 52650 1 537 . 1 . 1 112 112 VAL CA C 13 59.22 0.050 . 1 . . . . . 112 VAL CA . 52650 1 538 . 1 . 1 112 112 VAL CB C 13 38.06 0.050 . 1 . . . . . 112 VAL CB . 52650 1 539 . 1 . 1 112 112 VAL N N 15 121.09 0.050 . 1 . . . . . 112 VAL N . 52650 1 540 . 1 . 1 113 113 LYS H H 1 8.900 0.005 . 1 . . . . . 113 LYS H . 52650 1 541 . 1 . 1 113 113 LYS C C 13 178.29 0.050 . 1 . . . . . 113 LYS C . 52650 1 542 . 1 . 1 113 113 LYS CA C 13 54.59 0.050 . 1 . . . . . 113 LYS CA . 52650 1 543 . 1 . 1 113 113 LYS CB C 13 37.74 0.050 . 1 . . . . . 113 LYS CB . 52650 1 544 . 1 . 1 113 113 LYS N N 15 116.78 0.050 . 1 . . . . . 113 LYS N . 52650 1 545 . 1 . 1 114 114 SER H H 1 8.801 0.005 . 1 . . . . . 114 SER H . 52650 1 546 . 1 . 1 114 114 SER C C 13 176.97 0.050 . 1 . . . . . 114 SER C . 52650 1 547 . 1 . 1 114 114 SER CA C 13 58.28 0.050 . 1 . . . . . 114 SER CA . 52650 1 548 . 1 . 1 114 114 SER CB C 13 63.22 0.050 . 1 . . . . . 114 SER CB . 52650 1 549 . 1 . 1 114 114 SER N N 15 119.20 0.050 . 1 . . . . . 114 SER N . 52650 1 550 . 1 . 1 115 115 THR H H 1 8.431 0.005 . 1 . . . . . 115 THR H . 52650 1 551 . 1 . 1 115 115 THR C C 13 174.45 0.050 . 1 . . . . . 115 THR C . 52650 1 552 . 1 . 1 115 115 THR CA C 13 63.95 0.050 . 1 . . . . . 115 THR CA . 52650 1 553 . 1 . 1 115 115 THR CB C 13 68.92 0.050 . 1 . . . . . 115 THR CB . 52650 1 554 . 1 . 1 115 115 THR N N 15 120.17 0.050 . 1 . . . . . 115 THR N . 52650 1 555 . 1 . 1 116 116 VAL H H 1 7.974 0.005 . 1 . . . . . 116 VAL H . 52650 1 556 . 1 . 1 116 116 VAL C C 13 176.95 0.050 . 1 . . . . . 116 VAL C . 52650 1 557 . 1 . 1 116 116 VAL CA C 13 64.04 0.050 . 1 . . . . . 116 VAL CA . 52650 1 558 . 1 . 1 116 116 VAL CB C 13 32.71 0.050 . 1 . . . . . 116 VAL CB . 52650 1 559 . 1 . 1 116 116 VAL N N 15 121.38 0.050 . 1 . . . . . 116 VAL N . 52650 1 560 . 1 . 1 117 117 SER H H 1 7.878 0.005 . 1 . . . . . 117 SER H . 52650 1 561 . 1 . 1 117 117 SER C C 13 175.38 0.050 . 1 . . . . . 117 SER C . 52650 1 562 . 1 . 1 117 117 SER CA C 13 57.56 0.050 . 1 . . . . . 117 SER CA . 52650 1 563 . 1 . 1 117 117 SER CB C 13 65.55 0.050 . 1 . . . . . 117 SER CB . 52650 1 564 . 1 . 1 117 117 SER N N 15 111.74 0.050 . 1 . . . . . 117 SER N . 52650 1 565 . 1 . 1 118 118 ASN H H 1 7.811 0.005 . 1 . . . . . 118 ASN H . 52650 1 566 . 1 . 1 118 118 ASN C C 13 173.02 0.050 . 1 . . . . . 118 ASN C . 52650 1 567 . 1 . 1 118 118 ASN CA C 13 55.07 0.050 . 1 . . . . . 118 ASN CA . 52650 1 568 . 1 . 1 118 118 ASN CB C 13 37.41 0.050 . 1 . . . . . 118 ASN CB . 52650 1 569 . 1 . 1 118 118 ASN N N 15 116.57 0.050 . 1 . . . . . 118 ASN N . 52650 1 570 . 1 . 1 119 119 GLU H H 1 7.371 0.005 . 1 . . . . . 119 GLU H . 52650 1 571 . 1 . 1 119 119 GLU C C 13 175.03 0.050 . 1 . . . . . 119 GLU C . 52650 1 572 . 1 . 1 119 119 GLU CA C 13 55.49 0.050 . 1 . . . . . 119 GLU CA . 52650 1 573 . 1 . 1 119 119 GLU CB C 13 32.31 0.050 . 1 . . . . . 119 GLU CB . 52650 1 574 . 1 . 1 119 119 GLU N N 15 116.47 0.050 . 1 . . . . . 119 GLU N . 52650 1 575 . 1 . 1 120 120 PHE H H 1 8.511 0.005 . 1 . . . . . 120 PHE H . 52650 1 576 . 1 . 1 120 120 PHE C C 13 175.72 0.050 . 1 . . . . . 120 PHE C . 52650 1 577 . 1 . 1 120 120 PHE CA C 13 56.39 0.050 . 1 . . . . . 120 PHE CA . 52650 1 578 . 1 . 1 120 120 PHE CB C 13 42.50 0.050 . 1 . . . . . 120 PHE CB . 52650 1 579 . 1 . 1 120 120 PHE N N 15 119.19 0.050 . 1 . . . . . 120 PHE N . 52650 1 580 . 1 . 1 121 121 GLY H H 1 8.687 0.005 . 1 . . . . . 121 GLY H . 52650 1 581 . 1 . 1 121 121 GLY C C 13 169.72 0.050 . 1 . . . . . 121 GLY C . 52650 1 582 . 1 . 1 121 121 GLY CA C 13 45.73 0.050 . 1 . . . . . 121 GLY CA . 52650 1 583 . 1 . 1 121 121 GLY N N 15 104.65 0.050 . 1 . . . . . 121 GLY N . 52650 1 584 . 1 . 1 122 122 PHE H H 1 8.563 0.005 . 1 . . . . . 122 PHE H . 52650 1 585 . 1 . 1 122 122 PHE C C 13 176.77 0.050 . 1 . . . . . 122 PHE C . 52650 1 586 . 1 . 1 122 122 PHE CA C 13 56.30 0.050 . 1 . . . . . 122 PHE CA . 52650 1 587 . 1 . 1 122 122 PHE CB C 13 42.21 0.050 . 1 . . . . . 122 PHE CB . 52650 1 588 . 1 . 1 122 122 PHE N N 15 117.87 0.050 . 1 . . . . . 122 PHE N . 52650 1 589 . 1 . 1 123 123 ILE H H 1 8.578 0.005 . 1 . . . . . 123 ILE H . 52650 1 590 . 1 . 1 123 123 ILE C C 13 172.25 0.050 . 1 . . . . . 123 ILE C . 52650 1 591 . 1 . 1 123 123 ILE CA C 13 57.95 0.050 . 1 . . . . . 123 ILE CA . 52650 1 592 . 1 . 1 123 123 ILE CB C 13 40.14 0.050 . 1 . . . . . 123 ILE CB . 52650 1 593 . 1 . 1 123 123 ILE N N 15 111.78 0.050 . 1 . . . . . 123 ILE N . 52650 1 594 . 1 . 1 124 124 PRO C C 13 179.43 0.050 . 1 . . . . . 124 PRO C . 52650 1 595 . 1 . 1 124 124 PRO CA C 13 61.63 0.050 . 1 . . . . . 124 PRO CA . 52650 1 596 . 1 . 1 124 124 PRO CB C 13 31.11 0.050 . 1 . . . . . 124 PRO CB . 52650 1 597 . 1 . 1 125 125 GLY H H 1 7.970 0.005 . 1 . . . . . 125 GLY H . 52650 1 598 . 1 . 1 125 125 GLY C C 13 174.93 0.050 . 1 . . . . . 125 GLY C . 52650 1 599 . 1 . 1 125 125 GLY CA C 13 46.83 0.050 . 1 . . . . . 125 GLY CA . 52650 1 600 . 1 . 1 125 125 GLY N N 15 109.80 0.050 . 1 . . . . . 125 GLY N . 52650 1 601 . 1 . 1 126 126 ASN H H 1 8.546 0.005 . 1 . . . . . 126 ASN H . 52650 1 602 . 1 . 1 126 126 ASN C C 13 175.59 0.050 . 1 . . . . . 126 ASN C . 52650 1 603 . 1 . 1 126 126 ASN CA C 13 53.32 0.050 . 1 . . . . . 126 ASN CA . 52650 1 604 . 1 . 1 126 126 ASN CB C 13 36.23 0.050 . 1 . . . . . 126 ASN CB . 52650 1 605 . 1 . 1 126 126 ASN N N 15 113.48 0.050 . 1 . . . . . 126 ASN N . 52650 1 606 . 1 . 1 127 127 TYR H H 1 7.738 0.005 . 1 . . . . . 127 TYR H . 52650 1 607 . 1 . 1 127 127 TYR C C 13 175.06 0.050 . 1 . . . . . 127 TYR C . 52650 1 608 . 1 . 1 127 127 TYR CA C 13 58.48 0.050 . 1 . . . . . 127 TYR CA . 52650 1 609 . 1 . 1 127 127 TYR CB C 13 39.23 0.050 . 1 . . . . . 127 TYR CB . 52650 1 610 . 1 . 1 127 127 TYR N N 15 118.99 0.050 . 1 . . . . . 127 TYR N . 52650 1 611 . 1 . 1 128 128 VAL H H 1 7.205 0.005 . 1 . . . . . 128 VAL H . 52650 1 612 . 1 . 1 128 128 VAL C C 13 173.76 0.050 . 1 . . . . . 128 VAL C . 52650 1 613 . 1 . 1 128 128 VAL CA C 13 58.27 0.050 . 1 . . . . . 128 VAL CA . 52650 1 614 . 1 . 1 128 128 VAL CB C 13 36.18 0.050 . 1 . . . . . 128 VAL CB . 52650 1 615 . 1 . 1 128 128 VAL N N 15 108.63 0.050 . 1 . . . . . 128 VAL N . 52650 1 616 . 1 . 1 129 129 GLU H H 1 8.802 0.005 . 1 . . . . . 129 GLU H . 52650 1 617 . 1 . 1 129 129 GLU C C 13 173.06 0.050 . 1 . . . . . 129 GLU C . 52650 1 618 . 1 . 1 129 129 GLU CA C 13 52.78 0.050 . 1 . . . . . 129 GLU CA . 52650 1 619 . 1 . 1 129 129 GLU CB C 13 31.81 0.050 . 1 . . . . . 129 GLU CB . 52650 1 620 . 1 . 1 129 129 GLU N N 15 118.62 0.050 . 1 . . . . . 129 GLU N . 52650 1 621 . 1 . 1 130 130 PRO C C 13 176.05 0.050 . 1 . . . . . 130 PRO C . 52650 1 622 . 1 . 1 130 130 PRO CA C 13 63.91 0.050 . 1 . . . . . 130 PRO CA . 52650 1 623 . 1 . 1 130 130 PRO CB C 13 32.31 0.050 . 1 . . . . . 130 PRO CB . 52650 1 624 . 1 . 1 131 131 GLU H H 1 7.994 0.005 . 1 . . . . . 131 GLU H . 52650 1 625 . 1 . 1 131 131 GLU C C 13 174.88 0.050 . 1 . . . . . 131 GLU C . 52650 1 626 . 1 . 1 131 131 GLU CA C 13 56.14 0.050 . 1 . . . . . 131 GLU CA . 52650 1 627 . 1 . 1 131 131 GLU CB C 13 30.61 0.050 . 1 . . . . . 131 GLU CB . 52650 1 628 . 1 . 1 131 131 GLU N N 15 124.16 0.050 . 1 . . . . . 131 GLU N . 52650 1 629 . 1 . 1 132 132 ASN H H 1 8.132 0.005 . 1 . . . . . 132 ASN H . 52650 1 630 . 1 . 1 132 132 ASN C C 13 179.45 0.050 . 1 . . . . . 132 ASN C . 52650 1 631 . 1 . 1 132 132 ASN CA C 13 54.72 0.050 . 1 . . . . . 132 ASN CA . 52650 1 632 . 1 . 1 132 132 ASN CB C 13 40.55 0.050 . 1 . . . . . 132 ASN CB . 52650 1 633 . 1 . 1 132 132 ASN N N 15 126.95 0.050 . 1 . . . . . 132 ASN N . 52650 1 stop_ save_