################################### # 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 53231 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name WT_MKP5-CD _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 TROSY' . . . 53231 1 2 '3D HNCA' . . . 53231 1 3 '3D HN(CA)CO' . . . 53231 1 4 '3D HN(CO)CA' . . . 53231 1 5 '3D HNCACB' . . . 53231 1 6 '3D HN(COCA)CB' . . . 53231 1 7 '3D HNCO' . . . 53231 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 . . 53231 1 2 $software_2 . . 53231 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 4 4 ALA H H 1 8.198 0.020 . 1 . . . . . 5 ALA H . 53231 1 2 . 1 . 1 4 4 ALA C C 13 177.350 0.3 . 1 . . . . . 5 ALA C . 53231 1 3 . 1 . 1 4 4 ALA CA C 13 51.602 0.3 . 1 . . . . . 5 ALA CA . 53231 1 4 . 1 . 1 4 4 ALA CB C 13 18.734 0.3 . 1 . . . . . 5 ALA CB . 53231 1 5 . 1 . 1 4 4 ALA N N 15 125.694 0.3 . 1 . . . . . 5 ALA N . 53231 1 6 . 1 . 1 5 5 GLU H H 1 8.497 0.020 . 1 . . . . . 6 GLU H . 53231 1 7 . 1 . 1 5 5 GLU C C 13 175.506 0.3 . 1 . . . . . 6 GLU C . 53231 1 8 . 1 . 1 5 5 GLU CA C 13 55.109 0.3 . 1 . . . . . 6 GLU CA . 53231 1 9 . 1 . 1 5 5 GLU CB C 13 30.017 0.3 . 1 . . . . . 6 GLU CB . 53231 1 10 . 1 . 1 5 5 GLU N N 15 124.093 0.3 . 1 . . . . . 6 GLU N . 53231 1 11 . 1 . 1 6 6 LEU H H 1 7.892 0.020 . 1 . . . . . 7 LEU H . 53231 1 12 . 1 . 1 6 6 LEU C C 13 176.582 0.3 . 1 . . . . . 7 LEU C . 53231 1 13 . 1 . 1 6 6 LEU CA C 13 56.048 0.3 . 1 . . . . . 7 LEU CA . 53231 1 14 . 1 . 1 6 6 LEU CB C 13 40.871 0.3 . 1 . . . . . 7 LEU CB . 53231 1 15 . 1 . 1 6 6 LEU N N 15 123.707 0.3 . 1 . . . . . 7 LEU N . 53231 1 16 . 1 . 1 7 7 THR H H 1 8.642 0.020 . 1 . . . . . 8 THR H . 53231 1 17 . 1 . 1 7 7 THR C C 13 173.219 0.3 . 1 . . . . . 8 THR C . 53231 1 18 . 1 . 1 7 7 THR CA C 13 60.022 0.3 . 1 . . . . . 8 THR CA . 53231 1 19 . 1 . 1 7 7 THR CB C 13 70.736 0.3 . 1 . . . . . 8 THR CB . 53231 1 20 . 1 . 1 7 7 THR N N 15 122.769 0.3 . 1 . . . . . 8 THR N . 53231 1 21 . 1 . 1 13 13 LEU H H 1 6.774 0.020 . 1 . . . . . 14 LEU H . 53231 1 22 . 1 . 1 13 13 LEU C C 13 171.991 0.3 . 1 . . . . . 14 LEU C . 53231 1 23 . 1 . 1 13 13 LEU CA C 13 53.475 0.3 . 1 . . . . . 14 LEU CA . 53231 1 24 . 1 . 1 13 13 LEU CB C 13 44.905 0.3 . 1 . . . . . 14 LEU CB . 53231 1 25 . 1 . 1 13 13 LEU N N 15 125.895 0.3 . 1 . . . . . 14 LEU N . 53231 1 26 . 1 . 1 14 14 PHE H H 1 9.239 0.020 . 1 . . . . . 15 PHE H . 53231 1 27 . 1 . 1 14 14 PHE C C 13 172.756 0.3 . 1 . . . . . 15 PHE C . 53231 1 28 . 1 . 1 14 14 PHE CA C 13 55.582 0.3 . 1 . . . . . 15 PHE CA . 53231 1 29 . 1 . 1 14 14 PHE CB C 13 40.722 0.3 . 1 . . . . . 15 PHE CB . 53231 1 30 . 1 . 1 14 14 PHE N N 15 126.710 0.3 . 1 . . . . . 15 PHE N . 53231 1 31 . 1 . 1 15 15 LEU H H 1 8.732 0.020 . 1 . . . . . 16 LEU H . 53231 1 32 . 1 . 1 15 15 LEU C C 13 174.900 0.3 . 1 . . . . . 16 LEU C . 53231 1 33 . 1 . 1 15 15 LEU CA C 13 52.761 0.3 . 1 . . . . . 16 LEU CA . 53231 1 34 . 1 . 1 15 15 LEU CB C 13 45.132 0.3 . 1 . . . . . 16 LEU CB . 53231 1 35 . 1 . 1 15 15 LEU N N 15 126.494 0.3 . 1 . . . . . 16 LEU N . 53231 1 36 . 1 . 1 24 24 LEU H H 1 7.615 0.020 . 1 . . . . . 25 LEU H . 53231 1 37 . 1 . 1 24 24 LEU C C 13 177.839 0.3 . 1 . . . . . 25 LEU C . 53231 1 38 . 1 . 1 24 24 LEU CA C 13 57.417 0.3 . 1 . . . . . 25 LEU CA . 53231 1 39 . 1 . 1 24 24 LEU CB C 13 40.728 0.3 . 1 . . . . . 25 LEU CB . 53231 1 40 . 1 . 1 24 24 LEU N N 15 127.371 0.3 . 1 . . . . . 25 LEU N . 53231 1 41 . 1 . 1 25 25 ASP H H 1 8.161 0.020 . 1 . . . . . 26 ASP H . 53231 1 42 . 1 . 1 25 25 ASP C C 13 179.293 0.3 . 1 . . . . . 26 ASP C . 53231 1 43 . 1 . 1 25 25 ASP CA C 13 57.220 0.3 . 1 . . . . . 26 ASP CA . 53231 1 44 . 1 . 1 25 25 ASP CB C 13 39.697 0.3 . 1 . . . . . 26 ASP CB . 53231 1 45 . 1 . 1 25 25 ASP N N 15 117.979 0.3 . 1 . . . . . 26 ASP N . 53231 1 46 . 1 . 1 26 26 THR H H 1 7.574 0.020 . 1 . . . . . 27 THR H . 53231 1 47 . 1 . 1 26 26 THR C C 13 179.310 0.3 . 1 . . . . . 27 THR C . 53231 1 48 . 1 . 1 26 26 THR CA C 13 66.164 0.3 . 1 . . . . . 27 THR CA . 53231 1 49 . 1 . 1 26 26 THR CB C 13 66.557 0.3 . 1 . . . . . 27 THR CB . 53231 1 50 . 1 . 1 26 26 THR N N 15 119.569 0.3 . 1 . . . . . 27 THR N . 53231 1 51 . 1 . 1 27 27 MET H H 1 7.673 0.020 . 1 . . . . . 28 MET H . 53231 1 52 . 1 . 1 27 27 MET C C 13 178.116 0.3 . 1 . . . . . 28 MET C . 53231 1 53 . 1 . 1 27 27 MET CA C 13 59.670 0.3 . 1 . . . . . 28 MET CA . 53231 1 54 . 1 . 1 27 27 MET CB C 13 33.236 0.3 . 1 . . . . . 28 MET CB . 53231 1 55 . 1 . 1 27 27 MET N N 15 119.209 0.3 . 1 . . . . . 28 MET N . 53231 1 56 . 1 . 1 28 28 GLN H H 1 8.212 0.020 . 1 . . . . . 29 GLN H . 53231 1 57 . 1 . 1 28 28 GLN C C 13 180.224 0.3 . 1 . . . . . 29 GLN C . 53231 1 58 . 1 . 1 28 28 GLN CA C 13 58.863 0.3 . 1 . . . . . 29 GLN CA . 53231 1 59 . 1 . 1 28 28 GLN CB C 13 28.118 0.3 . 1 . . . . . 29 GLN CB . 53231 1 60 . 1 . 1 28 28 GLN N N 15 115.520 0.3 . 1 . . . . . 29 GLN N . 53231 1 61 . 1 . 1 29 29 ARG H H 1 8.046 0.020 . 1 . . . . . 30 ARG H . 53231 1 62 . 1 . 1 29 29 ARG C C 13 178.113 0.3 . 1 . . . . . 30 ARG C . 53231 1 63 . 1 . 1 29 29 ARG CA C 13 58.863 0.3 . 1 . . . . . 30 ARG CA . 53231 1 64 . 1 . 1 29 29 ARG CB C 13 28.709 0.3 . 1 . . . . . 30 ARG CB . 53231 1 65 . 1 . 1 29 29 ARG N N 15 123.567 0.3 . 1 . . . . . 30 ARG N . 53231 1 66 . 1 . 1 30 30 LEU H H 1 7.486 0.020 . 1 . . . . . 31 LEU H . 53231 1 67 . 1 . 1 30 30 LEU C C 13 175.830 0.3 . 1 . . . . . 31 LEU C . 53231 1 68 . 1 . 1 30 30 LEU CA C 13 53.781 0.3 . 1 . . . . . 31 LEU CA . 53231 1 69 . 1 . 1 30 30 LEU CB C 13 39.842 0.3 . 1 . . . . . 31 LEU CB . 53231 1 70 . 1 . 1 30 30 LEU N N 15 117.718 0.3 . 1 . . . . . 31 LEU N . 53231 1 71 . 1 . 1 31 31 ASN H H 1 7.810 0.020 . 1 . . . . . 32 ASN H . 53231 1 72 . 1 . 1 31 31 ASN C C 13 175.327 0.3 . 1 . . . . . 32 ASN C . 53231 1 73 . 1 . 1 31 31 ASN CA C 13 53.259 0.3 . 1 . . . . . 32 ASN CA . 53231 1 74 . 1 . 1 31 31 ASN CB C 13 36.756 0.3 . 1 . . . . . 32 ASN CB . 53231 1 75 . 1 . 1 31 31 ASN N N 15 116.120 0.3 . 1 . . . . . 32 ASN N . 53231 1 76 . 1 . 1 32 32 ILE H H 1 7.976 0.020 . 1 . . . . . 33 ILE H . 53231 1 77 . 1 . 1 32 32 ILE C C 13 175.841 0.3 . 1 . . . . . 33 ILE C . 53231 1 78 . 1 . 1 32 32 ILE CA C 13 61.195 0.3 . 1 . . . . . 33 ILE CA . 53231 1 79 . 1 . 1 32 32 ILE CB C 13 35.297 0.3 . 1 . . . . . 33 ILE CB . 53231 1 80 . 1 . 1 32 32 ILE N N 15 118.104 0.3 . 1 . . . . . 33 ILE N . 53231 1 81 . 1 . 1 33 33 GLY H H 1 9.225 0.020 . 1 . . . . . 34 GLY H . 53231 1 82 . 1 . 1 33 33 GLY C C 13 172.372 0.3 . 1 . . . . . 34 GLY C . 53231 1 83 . 1 . 1 33 33 GLY CA C 13 44.327 0.3 . 1 . . . . . 34 GLY CA . 53231 1 84 . 1 . 1 33 33 GLY N N 15 111.456 0.3 . 1 . . . . . 34 GLY N . 53231 1 85 . 1 . 1 34 34 TYR H H 1 7.963 0.020 . 1 . . . . . 35 TYR H . 53231 1 86 . 1 . 1 34 34 TYR C C 13 173.522 0.3 . 1 . . . . . 35 TYR C . 53231 1 87 . 1 . 1 34 34 TYR CA C 13 56.510 0.3 . 1 . . . . . 35 TYR CA . 53231 1 88 . 1 . 1 34 34 TYR CB C 13 42.068 0.3 . 1 . . . . . 35 TYR CB . 53231 1 89 . 1 . 1 34 34 TYR N N 15 123.933 0.3 . 1 . . . . . 35 TYR N . 53231 1 90 . 1 . 1 38 38 VAL H H 1 8.567 0.020 . 1 . . . . . 39 VAL H . 53231 1 91 . 1 . 1 38 38 VAL C C 13 173.442 0.3 . 1 . . . . . 39 VAL C . 53231 1 92 . 1 . 1 38 38 VAL CA C 13 58.393 0.3 . 1 . . . . . 39 VAL CA . 53231 1 93 . 1 . 1 38 38 VAL CB C 13 28.719 0.3 . 1 . . . . . 39 VAL CB . 53231 1 94 . 1 . 1 38 38 VAL N N 15 129.041 0.3 . 1 . . . . . 39 VAL N . 53231 1 95 . 1 . 1 39 39 THR H H 1 6.897 0.020 . 1 . . . . . 40 THR H . 53231 1 96 . 1 . 1 39 39 THR C C 13 175.274 0.3 . 1 . . . . . 40 THR C . 53231 1 97 . 1 . 1 39 39 THR CA C 13 59.696 0.3 . 1 . . . . . 40 THR CA . 53231 1 98 . 1 . 1 39 39 THR CB C 13 73.115 0.3 . 1 . . . . . 40 THR CB . 53231 1 99 . 1 . 1 39 39 THR N N 15 105.380 0.3 . 1 . . . . . 40 THR N . 53231 1 100 . 1 . 1 59 59 ALA H H 1 7.891 0.020 . 1 . . . . . 60 ALA H . 53231 1 101 . 1 . 1 59 59 ALA C C 13 176.364 0.3 . 1 . . . . . 60 ALA C . 53231 1 102 . 1 . 1 59 59 ALA CA C 13 49.732 0.3 . 1 . . . . . 60 ALA CA . 53231 1 103 . 1 . 1 59 59 ALA CB C 13 21.238 0.3 . 1 . . . . . 60 ALA CB . 53231 1 104 . 1 . 1 59 59 ALA N N 15 129.722 0.3 . 1 . . . . . 60 ALA N . 53231 1 105 . 1 . 1 60 60 THR H H 1 8.200 0.020 . 1 . . . . . 61 THR H . 53231 1 106 . 1 . 1 60 60 THR C C 13 173.606 0.3 . 1 . . . . . 61 THR C . 53231 1 107 . 1 . 1 60 60 THR CA C 13 60.508 0.3 . 1 . . . . . 61 THR CA . 53231 1 108 . 1 . 1 60 60 THR CB C 13 70.300 0.3 . 1 . . . . . 61 THR CB . 53231 1 109 . 1 . 1 60 60 THR N N 15 114.305 0.3 . 1 . . . . . 61 THR N . 53231 1 110 . 1 . 1 61 61 ASP H H 1 8.676 0.020 . 1 . . . . . 62 ASP H . 53231 1 111 . 1 . 1 61 61 ASP C C 13 175.519 0.3 . 1 . . . . . 62 ASP C . 53231 1 112 . 1 . 1 61 61 ASP CA C 13 52.313 0.3 . 1 . . . . . 62 ASP CA . 53231 1 113 . 1 . 1 61 61 ASP CB C 13 39.113 0.3 . 1 . . . . . 62 ASP CB . 53231 1 114 . 1 . 1 61 61 ASP N N 15 120.551 0.3 . 1 . . . . . 62 ASP N . 53231 1 115 . 1 . 1 62 62 SER H H 1 7.458 0.020 . 1 . . . . . 63 SER H . 53231 1 116 . 1 . 1 62 62 SER C C 13 175.105 0.3 . 1 . . . . . 63 SER C . 53231 1 117 . 1 . 1 62 62 SER CA C 13 56.515 0.3 . 1 . . . . . 63 SER CA . 53231 1 118 . 1 . 1 62 62 SER CB C 13 64.896 0.3 . 1 . . . . . 63 SER CB . 53231 1 119 . 1 . 1 62 62 SER N N 15 114.921 0.3 . 1 . . . . . 63 SER N . 53231 1 120 . 1 . 1 67 67 LEU H H 1 10.036 0.020 . 1 . . . . . 68 LEU H . 53231 1 121 . 1 . 1 67 67 LEU C C 13 175.734 0.3 . 1 . . . . . 68 LEU C . 53231 1 122 . 1 . 1 67 67 LEU CA C 13 53.946 0.3 . 1 . . . . . 68 LEU CA . 53231 1 123 . 1 . 1 67 67 LEU CB C 13 43.226 0.3 . 1 . . . . . 68 LEU CB . 53231 1 124 . 1 . 1 67 67 LEU N N 15 131.540 0.3 . 1 . . . . . 68 LEU N . 53231 1 125 . 1 . 1 68 68 ARG H H 1 7.161 0.020 . 1 . . . . . 69 ARG H . 53231 1 126 . 1 . 1 68 68 ARG C C 13 178.093 0.3 . 1 . . . . . 69 ARG C . 53231 1 127 . 1 . 1 68 68 ARG CA C 13 56.047 0.3 . 1 . . . . . 69 ARG CA . 53231 1 128 . 1 . 1 68 68 ARG CB C 13 27.394 0.3 . 1 . . . . . 69 ARG CB . 53231 1 129 . 1 . 1 68 68 ARG N N 15 122.939 0.3 . 1 . . . . . 69 ARG N . 53231 1 130 . 1 . 1 69 69 GLN H H 1 8.034 0.020 . 1 . . . . . 70 GLN H . 53231 1 131 . 1 . 1 69 69 GLN C C 13 175.328 0.3 . 1 . . . . . 70 GLN C . 53231 1 132 . 1 . 1 69 69 GLN CA C 13 56.280 0.3 . 1 . . . . . 70 GLN CA . 53231 1 133 . 1 . 1 69 69 GLN CB C 13 26.000 0.3 . 1 . . . . . 70 GLN CB . 53231 1 134 . 1 . 1 69 69 GLN N N 15 115.849 0.3 . 1 . . . . . 70 GLN N . 53231 1 135 . 1 . 1 70 70 TYR H H 1 7.578 0.020 . 1 . . . . . 71 TYR H . 53231 1 136 . 1 . 1 70 70 TYR C C 13 175.653 0.3 . 1 . . . . . 71 TYR C . 53231 1 137 . 1 . 1 70 70 TYR CA C 13 56.765 0.3 . 1 . . . . . 71 TYR CA . 53231 1 138 . 1 . 1 70 70 TYR CB C 13 39.017 0.3 . 1 . . . . . 71 TYR CB . 53231 1 139 . 1 . 1 70 70 TYR N N 15 119.069 0.3 . 1 . . . . . 71 TYR N . 53231 1 140 . 1 . 1 71 71 PHE H H 1 7.515 0.020 . 1 . . . . . 72 PHE H . 53231 1 141 . 1 . 1 71 71 PHE C C 13 175.354 0.3 . 1 . . . . . 72 PHE C . 53231 1 142 . 1 . 1 71 71 PHE CA C 13 57.690 0.3 . 1 . . . . . 72 PHE CA . 53231 1 143 . 1 . 1 71 71 PHE CB C 13 35.299 0.3 . 1 . . . . . 72 PHE CB . 53231 1 144 . 1 . 1 71 71 PHE N N 15 118.849 0.3 . 1 . . . . . 72 PHE N . 53231 1 145 . 1 . 1 72 72 GLU H H 1 8.390 0.020 . 1 . . . . . 73 GLU H . 53231 1 146 . 1 . 1 72 72 GLU C C 13 179.288 0.3 . 1 . . . . . 73 GLU C . 53231 1 147 . 1 . 1 72 72 GLU CA C 13 60.265 0.3 . 1 . . . . . 73 GLU CA . 53231 1 148 . 1 . 1 72 72 GLU CB C 13 27.250 0.3 . 1 . . . . . 73 GLU CB . 53231 1 149 . 1 . 1 72 72 GLU N N 15 116.507 0.3 . 1 . . . . . 73 GLU N . 53231 1 150 . 1 . 1 73 73 GLU H H 1 8.462 0.020 . 1 . . . . . 74 GLU H . 53231 1 151 . 1 . 1 73 73 GLU C C 13 179.536 0.3 . 1 . . . . . 74 GLU C . 53231 1 152 . 1 . 1 73 73 GLU CA C 13 58.392 0.3 . 1 . . . . . 74 GLU CA . 53231 1 153 . 1 . 1 73 73 GLU CB C 13 28.300 0.3 . 1 . . . . . 74 GLU CB . 53231 1 154 . 1 . 1 73 73 GLU N N 15 120.412 0.3 . 1 . . . . . 74 GLU N . 53231 1 155 . 1 . 1 74 74 ALA H H 1 7.997 0.020 . 1 . . . . . 75 ALA H . 53231 1 156 . 1 . 1 74 74 ALA C C 13 179.182 0.3 . 1 . . . . . 75 ALA C . 53231 1 157 . 1 . 1 74 74 ALA CA C 13 54.662 0.3 . 1 . . . . . 75 ALA CA . 53231 1 158 . 1 . 1 74 74 ALA CB C 13 16.956 0.3 . 1 . . . . . 75 ALA CB . 53231 1 159 . 1 . 1 74 74 ALA N N 15 121.789 0.3 . 1 . . . . . 75 ALA N . 53231 1 160 . 1 . 1 75 75 PHE H H 1 8.962 0.020 . 1 . . . . . 76 PHE H . 53231 1 161 . 1 . 1 75 75 PHE C C 13 178.331 0.3 . 1 . . . . . 76 PHE C . 53231 1 162 . 1 . 1 75 75 PHE CA C 13 56.758 0.3 . 1 . . . . . 76 PHE CA . 53231 1 163 . 1 . 1 75 75 PHE CB C 13 36.023 0.3 . 1 . . . . . 76 PHE CB . 53231 1 164 . 1 . 1 75 75 PHE N N 15 117.249 0.3 . 1 . . . . . 76 PHE N . 53231 1 165 . 1 . 1 76 76 GLU H H 1 8.309 0.020 . 1 . . . . . 77 GLU H . 53231 1 166 . 1 . 1 76 76 GLU C C 13 178.739 0.3 . 1 . . . . . 77 GLU C . 53231 1 167 . 1 . 1 76 76 GLU CA C 13 58.853 0.3 . 1 . . . . . 77 GLU CA . 53231 1 168 . 1 . 1 76 76 GLU CB C 13 28.707 0.3 . 1 . . . . . 77 GLU CB . 53231 1 169 . 1 . 1 76 76 GLU N N 15 118.665 0.3 . 1 . . . . . 77 GLU N . 53231 1 170 . 1 . 1 77 77 PHE H H 1 7.455 0.020 . 1 . . . . . 78 PHE H . 53231 1 171 . 1 . 1 77 77 PHE C C 13 176.827 0.3 . 1 . . . . . 78 PHE C . 53231 1 172 . 1 . 1 77 77 PHE CA C 13 60.278 0.3 . 1 . . . . . 78 PHE CA . 53231 1 173 . 1 . 1 77 77 PHE CB C 13 39.670 0.3 . 1 . . . . . 78 PHE CB . 53231 1 174 . 1 . 1 77 77 PHE N N 15 123.849 0.3 . 1 . . . . . 78 PHE N . 53231 1 175 . 1 . 1 78 78 ILE H H 1 8.352 0.020 . 1 . . . . . 79 ILE H . 53231 1 176 . 1 . 1 78 78 ILE C C 13 178.060 0.3 . 1 . . . . . 79 ILE C . 53231 1 177 . 1 . 1 78 78 ILE CA C 13 65.163 0.3 . 1 . . . . . 79 ILE CA . 53231 1 178 . 1 . 1 78 78 ILE CB C 13 36.924 0.3 . 1 . . . . . 79 ILE CB . 53231 1 179 . 1 . 1 78 78 ILE N N 15 117.693 0.3 . 1 . . . . . 79 ILE N . 53231 1 180 . 1 . 1 79 79 GLU H H 1 8.426 0.020 . 1 . . . . . 80 GLU H . 53231 1 181 . 1 . 1 79 79 GLU C C 13 178.575 0.3 . 1 . . . . . 80 GLU C . 53231 1 182 . 1 . 1 79 79 GLU CA C 13 57.460 0.3 . 1 . . . . . 80 GLU CA . 53231 1 183 . 1 . 1 79 79 GLU CB C 13 28.560 0.3 . 1 . . . . . 80 GLU CB . 53231 1 184 . 1 . 1 79 79 GLU N N 15 117.727 0.3 . 1 . . . . . 80 GLU N . 53231 1 185 . 1 . 1 80 80 GLU H H 1 7.775 0.020 . 1 . . . . . 81 GLU H . 53231 1 186 . 1 . 1 80 80 GLU C C 13 178.607 0.3 . 1 . . . . . 81 GLU C . 53231 1 187 . 1 . 1 80 80 GLU CA C 13 59.099 0.3 . 1 . . . . . 81 GLU CA . 53231 1 188 . 1 . 1 80 80 GLU CB C 13 27.683 0.3 . 1 . . . . . 81 GLU CB . 53231 1 189 . 1 . 1 80 80 GLU N N 15 123.316 0.3 . 1 . . . . . 81 GLU N . 53231 1 190 . 1 . 1 81 81 ALA H H 1 6.882 0.020 . 1 . . . . . 82 ALA H . 53231 1 191 . 1 . 1 81 81 ALA C C 13 178.559 0.3 . 1 . . . . . 82 ALA C . 53231 1 192 . 1 . 1 81 81 ALA CA C 13 54.658 0.3 . 1 . . . . . 82 ALA CA . 53231 1 193 . 1 . 1 81 81 ALA CB C 13 16.539 0.3 . 1 . . . . . 82 ALA CB . 53231 1 194 . 1 . 1 81 81 ALA N N 15 122.837 0.3 . 1 . . . . . 82 ALA N . 53231 1 195 . 1 . 1 82 82 HIS H H 1 8.022 0.020 . 1 . . . . . 83 HIS H . 53231 1 196 . 1 . 1 82 82 HIS C C 13 179.012 0.3 . 1 . . . . . 83 HIS C . 53231 1 197 . 1 . 1 82 82 HIS CA C 13 56.055 0.3 . 1 . . . . . 83 HIS CA . 53231 1 198 . 1 . 1 82 82 HIS CB C 13 28.706 0.3 . 1 . . . . . 83 HIS CB . 53231 1 199 . 1 . 1 82 82 HIS N N 15 115.396 0.3 . 1 . . . . . 83 HIS N . 53231 1 200 . 1 . 1 83 83 GLN H H 1 8.247 0.020 . 1 . . . . . 84 GLN H . 53231 1 201 . 1 . 1 83 83 GLN C C 13 177.342 0.3 . 1 . . . . . 84 GLN C . 53231 1 202 . 1 . 1 83 83 GLN CA C 13 57.457 0.3 . 1 . . . . . 84 GLN CA . 53231 1 203 . 1 . 1 83 83 GLN CB C 13 27.101 0.3 . 1 . . . . . 84 GLN CB . 53231 1 204 . 1 . 1 83 83 GLN N N 15 117.700 0.3 . 1 . . . . . 84 GLN N . 53231 1 205 . 1 . 1 84 84 CYS H H 1 7.605 0.020 . 1 . . . . . 85 CYS H . 53231 1 206 . 1 . 1 84 84 CYS C C 13 175.082 0.3 . 1 . . . . . 85 CYS C . 53231 1 207 . 1 . 1 84 84 CYS CA C 13 58.154 0.3 . 1 . . . . . 85 CYS CA . 53231 1 208 . 1 . 1 84 84 CYS CB C 13 27.168 0.3 . 1 . . . . . 85 CYS CB . 53231 1 209 . 1 . 1 84 84 CYS N N 15 114.380 0.3 . 1 . . . . . 85 CYS N . 53231 1 210 . 1 . 1 85 85 GLY H H 1 7.552 0.020 . 1 . . . . . 86 GLY H . 53231 1 211 . 1 . 1 85 85 GLY C C 13 174.421 0.3 . 1 . . . . . 86 GLY C . 53231 1 212 . 1 . 1 85 85 GLY CA C 13 45.980 0.3 . 1 . . . . . 86 GLY CA . 53231 1 213 . 1 . 1 85 85 GLY N N 15 110.184 0.3 . 1 . . . . . 86 GLY N . 53231 1 214 . 1 . 1 86 86 LYS H H 1 7.652 0.020 . 1 . . . . . 87 LYS H . 53231 1 215 . 1 . 1 86 86 LYS C C 13 174.998 0.3 . 1 . . . . . 87 LYS C . 53231 1 216 . 1 . 1 86 86 LYS CA C 13 52.984 0.3 . 1 . . . . . 87 LYS CA . 53231 1 217 . 1 . 1 86 86 LYS CB C 13 35.003 0.3 . 1 . . . . . 87 LYS CB . 53231 1 218 . 1 . 1 86 86 LYS N N 15 118.869 0.3 . 1 . . . . . 87 LYS N . 53231 1 219 . 1 . 1 87 87 GLY H H 1 8.485 0.020 . 1 . . . . . 88 GLY H . 53231 1 220 . 1 . 1 87 87 GLY C C 13 173.540 0.3 . 1 . . . . . 88 GLY C . 53231 1 221 . 1 . 1 87 87 GLY CA C 13 43.835 0.3 . 1 . . . . . 88 GLY CA . 53231 1 222 . 1 . 1 87 87 GLY N N 15 104.014 0.3 . 1 . . . . . 88 GLY N . 53231 1 223 . 1 . 1 88 88 LEU H H 1 8.954 0.020 . 1 . . . . . 89 LEU H . 53231 1 224 . 1 . 1 88 88 LEU C C 13 174.006 0.3 . 1 . . . . . 89 LEU C . 53231 1 225 . 1 . 1 88 88 LEU CA C 13 53.236 0.3 . 1 . . . . . 89 LEU CA . 53231 1 226 . 1 . 1 88 88 LEU CB C 13 43.067 0.3 . 1 . . . . . 89 LEU CB . 53231 1 227 . 1 . 1 88 88 LEU N N 15 125.211 0.3 . 1 . . . . . 89 LEU N . 53231 1 228 . 1 . 1 89 89 LEU H H 1 8.720 0.020 . 1 . . . . . 90 LEU H . 53231 1 229 . 1 . 1 89 89 LEU C C 13 173.461 0.3 . 1 . . . . . 90 LEU C . 53231 1 230 . 1 . 1 89 89 LEU CA C 13 53.002 0.3 . 1 . . . . . 90 LEU CA . 53231 1 231 . 1 . 1 89 89 LEU CB C 13 43.208 0.3 . 1 . . . . . 90 LEU CB . 53231 1 232 . 1 . 1 89 89 LEU N N 15 128.921 0.3 . 1 . . . . . 90 LEU N . 53231 1 233 . 1 . 1 100 100 ALA H H 1 5.933 0.020 . 1 . . . . . 101 ALA H . 53231 1 234 . 1 . 1 100 100 ALA C C 13 177.678 0.3 . 1 . . . . . 101 ALA C . 53231 1 235 . 1 . 1 100 100 ALA CA C 13 54.398 0.3 . 1 . . . . . 101 ALA CA . 53231 1 236 . 1 . 1 100 100 ALA CB C 13 17.576 0.3 . 1 . . . . . 101 ALA CB . 53231 1 237 . 1 . 1 100 100 ALA N N 15 121.484 0.3 . 1 . . . . . 101 ALA N . 53231 1 238 . 1 . 1 101 101 THR H H 1 7.652 0.020 . 1 . . . . . 102 THR H . 53231 1 239 . 1 . 1 101 101 THR C C 13 175.101 0.3 . 1 . . . . . 102 THR C . 53231 1 240 . 1 . 1 101 101 THR CA C 13 67.771 0.3 . 1 . . . . . 102 THR CA . 53231 1 241 . 1 . 1 101 101 THR CB C 13 66.926 0.3 . 1 . . . . . 102 THR CB . 53231 1 242 . 1 . 1 101 101 THR N N 15 114.321 0.3 . 1 . . . . . 102 THR N . 53231 1 243 . 1 . 1 102 102 ILE H H 1 6.651 0.020 . 1 . . . . . 103 ILE H . 53231 1 244 . 1 . 1 102 102 ILE C C 13 176.749 0.3 . 1 . . . . . 103 ILE C . 53231 1 245 . 1 . 1 102 102 ILE CA C 13 62.860 0.3 . 1 . . . . . 103 ILE CA . 53231 1 246 . 1 . 1 102 102 ILE CB C 13 34.859 0.3 . 1 . . . . . 103 ILE CB . 53231 1 247 . 1 . 1 102 102 ILE N N 15 118.106 0.3 . 1 . . . . . 103 ILE N . 53231 1 248 . 1 . 1 105 105 ALA H H 1 7.674 0.020 . 1 . . . . . 106 ALA H . 53231 1 249 . 1 . 1 105 105 ALA C C 13 178.498 0.3 . 1 . . . . . 106 ALA C . 53231 1 250 . 1 . 1 105 105 ALA CA C 13 54.405 0.3 . 1 . . . . . 106 ALA CA . 53231 1 251 . 1 . 1 105 105 ALA CB C 13 16.255 0.3 . 1 . . . . . 106 ALA CB . 53231 1 252 . 1 . 1 105 105 ALA N N 15 120.979 0.3 . 1 . . . . . 106 ALA N . 53231 1 253 . 1 . 1 106 106 TYR H H 1 8.250 0.020 . 1 . . . . . 107 TYR H . 53231 1 254 . 1 . 1 106 106 TYR C C 13 177.270 0.3 . 1 . . . . . 107 TYR C . 53231 1 255 . 1 . 1 106 106 TYR CA C 13 61.440 0.3 . 1 . . . . . 107 TYR CA . 53231 1 256 . 1 . 1 106 106 TYR CB C 13 36.327 0.3 . 1 . . . . . 107 TYR CB . 53231 1 257 . 1 . 1 106 106 TYR N N 15 119.734 0.3 . 1 . . . . . 107 TYR N . 53231 1 258 . 1 . 1 107 107 LEU H H 1 8.111 0.020 . 1 . . . . . 108 LEU H . 53231 1 259 . 1 . 1 107 107 LEU C C 13 181.424 0.3 . 1 . . . . . 108 LEU C . 53231 1 260 . 1 . 1 107 107 LEU CA C 13 56.520 0.3 . 1 . . . . . 108 LEU CA . 53231 1 261 . 1 . 1 107 107 LEU CB C 13 39.750 0.3 . 1 . . . . . 108 LEU CB . 53231 1 262 . 1 . 1 107 107 LEU N N 15 120.184 0.3 . 1 . . . . . 108 LEU N . 53231 1 263 . 1 . 1 108 108 MET H H 1 8.077 0.020 . 1 . . . . . 109 MET H . 53231 1 264 . 1 . 1 108 108 MET C C 13 177.336 0.3 . 1 . . . . . 109 MET C . 53231 1 265 . 1 . 1 108 108 MET CA C 13 58.096 0.3 . 1 . . . . . 109 MET CA . 53231 1 266 . 1 . 1 108 108 MET CB C 13 33.212 0.3 . 1 . . . . . 109 MET CB . 53231 1 267 . 1 . 1 108 108 MET N N 15 121.250 0.3 . 1 . . . . . 109 MET N . 53231 1 268 . 1 . 1 109 109 LYS H H 1 7.645 0.020 . 1 . . . . . 110 LYS H . 53231 1 269 . 1 . 1 109 109 LYS C C 13 177.684 0.3 . 1 . . . . . 110 LYS C . 53231 1 270 . 1 . 1 109 109 LYS CA C 13 58.054 0.3 . 1 . . . . . 110 LYS CA . 53231 1 271 . 1 . 1 109 109 LYS CB C 13 31.932 0.3 . 1 . . . . . 110 LYS CB . 53231 1 272 . 1 . 1 109 109 LYS N N 15 116.817 0.3 . 1 . . . . . 110 LYS N . 53231 1 273 . 1 . 1 110 110 HIS H H 1 8.390 0.020 . 1 . . . . . 111 HIS H . 53231 1 274 . 1 . 1 110 110 HIS C C 13 176.339 0.3 . 1 . . . . . 111 HIS C . 53231 1 275 . 1 . 1 110 110 HIS CA C 13 58.393 0.3 . 1 . . . . . 111 HIS CA . 53231 1 276 . 1 . 1 110 110 HIS CB C 13 28.642 0.3 . 1 . . . . . 111 HIS CB . 53231 1 277 . 1 . 1 110 110 HIS N N 15 114.553 0.3 . 1 . . . . . 111 HIS N . 53231 1 278 . 1 . 1 111 111 THR H H 1 7.121 0.020 . 1 . . . . . 112 THR H . 53231 1 279 . 1 . 1 111 111 THR C C 13 173.522 0.3 . 1 . . . . . 112 THR C . 53231 1 280 . 1 . 1 111 111 THR CA C 13 60.817 0.3 . 1 . . . . . 112 THR CA . 53231 1 281 . 1 . 1 111 111 THR CB C 13 67.965 0.3 . 1 . . . . . 112 THR CB . 53231 1 282 . 1 . 1 111 111 THR N N 15 109.654 0.3 . 1 . . . . . 112 THR N . 53231 1 283 . 1 . 1 112 112 ARG H H 1 6.768 0.020 . 1 . . . . . 113 ARG H . 53231 1 284 . 1 . 1 112 112 ARG C C 13 175.337 0.3 . 1 . . . . . 113 ARG C . 53231 1 285 . 1 . 1 112 112 ARG CA C 13 56.252 0.3 . 1 . . . . . 113 ARG CA . 53231 1 286 . 1 . 1 112 112 ARG CB C 13 24.605 0.3 . 1 . . . . . 113 ARG CB . 53231 1 287 . 1 . 1 112 112 ARG N N 15 115.282 0.3 . 1 . . . . . 113 ARG N . 53231 1 288 . 1 . 1 113 113 MET H H 1 7.116 0.020 . 1 . . . . . 114 MET H . 53231 1 289 . 1 . 1 113 113 MET C C 13 176.827 0.3 . 1 . . . . . 114 MET C . 53231 1 290 . 1 . 1 113 113 MET CA C 13 55.113 0.3 . 1 . . . . . 114 MET CA . 53231 1 291 . 1 . 1 113 113 MET CB C 13 35.304 0.3 . 1 . . . . . 114 MET CB . 53231 1 292 . 1 . 1 113 113 MET N N 15 118.698 0.3 . 1 . . . . . 114 MET N . 53231 1 293 . 1 . 1 114 114 THR H H 1 8.368 0.020 . 1 . . . . . 115 THR H . 53231 1 294 . 1 . 1 114 114 THR C C 13 174.642 0.3 . 1 . . . . . 115 THR C . 53231 1 295 . 1 . 1 114 114 THR CA C 13 60.731 0.3 . 1 . . . . . 115 THR CA . 53231 1 296 . 1 . 1 114 114 THR CB C 13 69.665 0.3 . 1 . . . . . 115 THR CB . 53231 1 297 . 1 . 1 114 114 THR N N 15 112.103 0.3 . 1 . . . . . 115 THR N . 53231 1 298 . 1 . 1 115 115 MET H H 1 9.276 0.020 . 1 . . . . . 116 MET H . 53231 1 299 . 1 . 1 115 115 MET C C 13 178.473 0.3 . 1 . . . . . 116 MET C . 53231 1 300 . 1 . 1 115 115 MET CA C 13 60.277 0.3 . 1 . . . . . 116 MET CA . 53231 1 301 . 1 . 1 115 115 MET CB C 13 31.208 0.3 . 1 . . . . . 116 MET CB . 53231 1 302 . 1 . 1 115 115 MET N N 15 123.224 0.3 . 1 . . . . . 116 MET N . 53231 1 303 . 1 . 1 116 116 THR H H 1 8.637 0.020 . 1 . . . . . 117 THR H . 53231 1 304 . 1 . 1 116 116 THR C C 13 176.912 0.3 . 1 . . . . . 117 THR C . 53231 1 305 . 1 . 1 116 116 THR CA C 13 65.897 0.3 . 1 . . . . . 117 THR CA . 53231 1 306 . 1 . 1 116 116 THR CB C 13 67.797 0.3 . 1 . . . . . 117 THR CB . 53231 1 307 . 1 . 1 116 116 THR N N 15 112.763 0.3 . 1 . . . . . 117 THR N . 53231 1 308 . 1 . 1 117 117 ASP H H 1 7.695 0.020 . 1 . . . . . 118 ASP H . 53231 1 309 . 1 . 1 117 117 ASP C C 13 179.016 0.3 . 1 . . . . . 118 ASP C . 53231 1 310 . 1 . 1 117 117 ASP CA C 13 56.989 0.3 . 1 . . . . . 118 ASP CA . 53231 1 311 . 1 . 1 117 117 ASP CB C 13 38.510 0.3 . 1 . . . . . 118 ASP CB . 53231 1 312 . 1 . 1 117 117 ASP N N 15 122.734 0.3 . 1 . . . . . 118 ASP N . 53231 1 313 . 1 . 1 118 118 ALA H H 1 8.955 0.020 . 1 . . . . . 119 ALA H . 53231 1 314 . 1 . 1 118 118 ALA C C 13 178.850 0.3 . 1 . . . . . 119 ALA C . 53231 1 315 . 1 . 1 118 118 ALA CA C 13 54.651 0.3 . 1 . . . . . 119 ALA CA . 53231 1 316 . 1 . 1 118 118 ALA CB C 13 19.169 0.3 . 1 . . . . . 119 ALA CB . 53231 1 317 . 1 . 1 118 118 ALA N N 15 126.382 0.3 . 1 . . . . . 119 ALA N . 53231 1 318 . 1 . 1 119 119 TYR H H 1 9.068 0.020 . 1 . . . . . 120 TYR H . 53231 1 319 . 1 . 1 119 119 TYR C C 13 177.160 0.3 . 1 . . . . . 120 TYR C . 53231 1 320 . 1 . 1 119 119 TYR CA C 13 60.970 0.3 . 1 . . . . . 120 TYR CA . 53231 1 321 . 1 . 1 119 119 TYR CB C 13 37.493 0.3 . 1 . . . . . 120 TYR CB . 53231 1 322 . 1 . 1 119 119 TYR N N 15 120.256 0.3 . 1 . . . . . 120 TYR N . 53231 1 323 . 1 . 1 120 120 LYS H H 1 8.256 0.020 . 1 . . . . . 121 LYS H . 53231 1 324 . 1 . 1 120 120 LYS C C 13 179.319 0.3 . 1 . . . . . 121 LYS C . 53231 1 325 . 1 . 1 120 120 LYS CA C 13 59.330 0.3 . 1 . . . . . 121 LYS CA . 53231 1 326 . 1 . 1 120 120 LYS CB C 13 31.325 0.3 . 1 . . . . . 121 LYS CB . 53231 1 327 . 1 . 1 120 120 LYS N N 15 118.509 0.3 . 1 . . . . . 121 LYS N . 53231 1 328 . 1 . 1 121 121 PHE H H 1 8.331 0.020 . 1 . . . . . 122 PHE H . 53231 1 329 . 1 . 1 121 121 PHE C C 13 178.115 0.3 . 1 . . . . . 122 PHE C . 53231 1 330 . 1 . 1 121 121 PHE CA C 13 60.398 0.3 . 1 . . . . . 122 PHE CA . 53231 1 331 . 1 . 1 121 121 PHE CB C 13 38.563 0.3 . 1 . . . . . 122 PHE CB . 53231 1 332 . 1 . 1 121 121 PHE N N 15 122.437 0.3 . 1 . . . . . 122 PHE N . 53231 1 333 . 1 . 1 122 122 VAL H H 1 8.014 0.020 . 1 . . . . . 123 VAL H . 53231 1 334 . 1 . 1 122 122 VAL C C 13 176.942 0.3 . 1 . . . . . 123 VAL C . 53231 1 335 . 1 . 1 122 122 VAL CA C 13 66.343 0.3 . 1 . . . . . 123 VAL CA . 53231 1 336 . 1 . 1 122 122 VAL CB C 13 30.234 0.3 . 1 . . . . . 123 VAL CB . 53231 1 337 . 1 . 1 122 122 VAL N N 15 118.852 0.3 . 1 . . . . . 123 VAL N . 53231 1 338 . 1 . 1 123 123 LYS H H 1 8.829 0.020 . 1 . . . . . 124 LYS H . 53231 1 339 . 1 . 1 123 123 LYS C C 13 178.134 0.3 . 1 . . . . . 124 LYS C . 53231 1 340 . 1 . 1 123 123 LYS CA C 13 56.994 0.3 . 1 . . . . . 124 LYS CA . 53231 1 341 . 1 . 1 123 123 LYS CB C 13 31.779 0.3 . 1 . . . . . 124 LYS CB . 53231 1 342 . 1 . 1 123 123 LYS N N 15 122.151 0.3 . 1 . . . . . 124 LYS N . 53231 1 343 . 1 . 1 124 124 GLY H H 1 7.821 0.020 . 1 . . . . . 125 GLY H . 53231 1 344 . 1 . 1 124 124 GLY C C 13 175.189 0.3 . 1 . . . . . 125 GLY C . 53231 1 345 . 1 . 1 124 124 GLY CA C 13 45.499 0.3 . 1 . . . . . 125 GLY CA . 53231 1 346 . 1 . 1 124 124 GLY N N 15 103.696 0.3 . 1 . . . . . 125 GLY N . 53231 1 347 . 1 . 1 125 125 LYS H H 1 6.721 0.020 . 1 . . . . . 126 LYS H . 53231 1 348 . 1 . 1 125 125 LYS C C 13 175.792 0.3 . 1 . . . . . 126 LYS C . 53231 1 349 . 1 . 1 125 125 LYS CA C 13 56.730 0.3 . 1 . . . . . 126 LYS CA . 53231 1 350 . 1 . 1 125 125 LYS CB C 13 32.657 0.3 . 1 . . . . . 126 LYS CB . 53231 1 351 . 1 . 1 125 125 LYS N N 15 118.382 0.3 . 1 . . . . . 126 LYS N . 53231 1 352 . 1 . 1 126 126 ARG H H 1 8.461 0.020 . 1 . . . . . 127 ARG H . 53231 1 353 . 1 . 1 126 126 ARG C C 13 171.771 0.3 . 1 . . . . . 127 ARG C . 53231 1 354 . 1 . 1 126 126 ARG CA C 13 52.769 0.3 . 1 . . . . . 127 ARG CA . 53231 1 355 . 1 . 1 126 126 ARG CB C 13 29.306 0.3 . 1 . . . . . 127 ARG CB . 53231 1 356 . 1 . 1 126 126 ARG N N 15 122.120 0.3 . 1 . . . . . 127 ARG N . 53231 1 357 . 1 . 1 128 128 ILE H H 1 6.809 0.020 . 1 . . . . . 129 ILE H . 53231 1 358 . 1 . 1 128 128 ILE C C 13 177.023 0.3 . 1 . . . . . 129 ILE C . 53231 1 359 . 1 . 1 128 128 ILE CA C 13 61.446 0.3 . 1 . . . . . 129 ILE CA . 53231 1 360 . 1 . 1 128 128 ILE CB C 13 37.204 0.3 . 1 . . . . . 129 ILE CB . 53231 1 361 . 1 . 1 128 128 ILE N N 15 109.007 0.3 . 1 . . . . . 129 ILE N . 53231 1 362 . 1 . 1 129 129 ILE H H 1 7.841 0.020 . 1 . . . . . 130 ILE H . 53231 1 363 . 1 . 1 129 129 ILE C C 13 175.513 0.3 . 1 . . . . . 130 ILE C . 53231 1 364 . 1 . 1 129 129 ILE CA C 13 63.080 0.3 . 1 . . . . . 130 ILE CA . 53231 1 365 . 1 . 1 129 129 ILE CB C 13 39.103 0.3 . 1 . . . . . 130 ILE CB . 53231 1 366 . 1 . 1 129 129 ILE N N 15 114.974 0.3 . 1 . . . . . 130 ILE N . 53231 1 367 . 1 . 1 130 130 SER H H 1 8.386 0.020 . 1 . . . . . 131 SER H . 53231 1 368 . 1 . 1 130 130 SER C C 13 170.361 0.3 . 1 . . . . . 131 SER C . 53231 1 369 . 1 . 1 130 130 SER CA C 13 55.819 0.3 . 1 . . . . . 131 SER CA . 53231 1 370 . 1 . 1 130 130 SER CB C 13 60.639 0.3 . 1 . . . . . 131 SER CB . 53231 1 371 . 1 . 1 130 130 SER N N 15 112.622 0.3 . 1 . . . . . 131 SER N . 53231 1 372 . 1 . 1 132 132 ASN H H 1 7.289 0.020 . 1 . . . . . 133 ASN H . 53231 1 373 . 1 . 1 132 132 ASN C C 13 174.315 0.3 . 1 . . . . . 133 ASN C . 53231 1 374 . 1 . 1 132 132 ASN CA C 13 52.562 0.3 . 1 . . . . . 133 ASN CA . 53231 1 375 . 1 . 1 132 132 ASN CB C 13 36.627 0.3 . 1 . . . . . 133 ASN CB . 53231 1 376 . 1 . 1 132 132 ASN N N 15 120.030 0.3 . 1 . . . . . 133 ASN N . 53231 1 377 . 1 . 1 133 133 LEU H H 1 8.338 0.020 . 1 . . . . . 134 LEU H . 53231 1 378 . 1 . 1 133 133 LEU C C 13 180.029 0.3 . 1 . . . . . 134 LEU C . 53231 1 379 . 1 . 1 133 133 LEU CA C 13 57.926 0.3 . 1 . . . . . 134 LEU CA . 53231 1 380 . 1 . 1 133 133 LEU CB C 13 40.261 0.3 . 1 . . . . . 134 LEU CB . 53231 1 381 . 1 . 1 133 133 LEU N N 15 119.222 0.3 . 1 . . . . . 134 LEU N . 53231 1 382 . 1 . 1 134 134 ASN H H 1 8.082 0.020 . 1 . . . . . 135 ASN H . 53231 1 383 . 1 . 1 134 134 ASN C C 13 178.066 0.3 . 1 . . . . . 135 ASN C . 53231 1 384 . 1 . 1 134 134 ASN CA C 13 55.154 0.3 . 1 . . . . . 135 ASN CA . 53231 1 385 . 1 . 1 134 134 ASN CB C 13 37.791 0.3 . 1 . . . . . 135 ASN CB . 53231 1 386 . 1 . 1 134 134 ASN N N 15 121.003 0.3 . 1 . . . . . 135 ASN N . 53231 1 387 . 1 . 1 135 135 PHE H H 1 8.143 0.020 . 1 . . . . . 136 PHE H . 53231 1 388 . 1 . 1 135 135 PHE C C 13 178.965 0.3 . 1 . . . . . 136 PHE C . 53231 1 389 . 1 . 1 135 135 PHE CA C 13 56.869 0.3 . 1 . . . . . 136 PHE CA . 53231 1 390 . 1 . 1 135 135 PHE CB C 13 35.227 0.3 . 1 . . . . . 136 PHE CB . 53231 1 391 . 1 . 1 135 135 PHE N N 15 123.736 0.3 . 1 . . . . . 136 PHE N . 53231 1 392 . 1 . 1 136 136 MET H H 1 8.770 0.020 . 1 . . . . . 137 MET H . 53231 1 393 . 1 . 1 136 136 MET C C 13 179.645 0.3 . 1 . . . . . 137 MET C . 53231 1 394 . 1 . 1 136 136 MET CA C 13 56.762 0.3 . 1 . . . . . 137 MET CA . 53231 1 395 . 1 . 1 136 136 MET CB C 13 28.844 0.3 . 1 . . . . . 137 MET CB . 53231 1 396 . 1 . 1 136 136 MET N N 15 119.056 0.3 . 1 . . . . . 137 MET N . 53231 1 397 . 1 . 1 137 137 GLY H H 1 8.187 0.020 . 1 . . . . . 138 GLY H . 53231 1 398 . 1 . 1 137 137 GLY C C 13 177.239 0.3 . 1 . . . . . 138 GLY C . 53231 1 399 . 1 . 1 137 137 GLY CA C 13 46.676 0.3 . 1 . . . . . 138 GLY CA . 53231 1 400 . 1 . 1 137 137 GLY N N 15 107.924 0.3 . 1 . . . . . 138 GLY N . 53231 1 401 . 1 . 1 138 138 GLN H H 1 7.847 0.020 . 1 . . . . . 139 GLN H . 53231 1 402 . 1 . 1 138 138 GLN C C 13 180.109 0.3 . 1 . . . . . 139 GLN C . 53231 1 403 . 1 . 1 138 138 GLN CA C 13 58.630 0.3 . 1 . . . . . 139 GLN CA . 53231 1 404 . 1 . 1 138 138 GLN CB C 13 27.536 0.3 . 1 . . . . . 139 GLN CB . 53231 1 405 . 1 . 1 138 138 GLN N N 15 122.424 0.3 . 1 . . . . . 139 GLN N . 53231 1 406 . 1 . 1 139 139 LEU H H 1 8.477 0.020 . 1 . . . . . 140 LEU H . 53231 1 407 . 1 . 1 139 139 LEU C C 13 178.536 0.3 . 1 . . . . . 140 LEU C . 53231 1 408 . 1 . 1 139 139 LEU CA C 13 57.931 0.3 . 1 . . . . . 140 LEU CA . 53231 1 409 . 1 . 1 139 139 LEU CB C 13 41.134 0.3 . 1 . . . . . 140 LEU CB . 53231 1 410 . 1 . 1 139 139 LEU N N 15 123.044 0.3 . 1 . . . . . 140 LEU N . 53231 1 411 . 1 . 1 140 140 LEU H H 1 8.104 0.020 . 1 . . . . . 141 LEU H . 53231 1 412 . 1 . 1 140 140 LEU C C 13 180.248 0.3 . 1 . . . . . 141 LEU C . 53231 1 413 . 1 . 1 140 140 LEU CA C 13 57.699 0.3 . 1 . . . . . 141 LEU CA . 53231 1 414 . 1 . 1 140 140 LEU CB C 13 40.710 0.3 . 1 . . . . . 141 LEU CB . 53231 1 415 . 1 . 1 140 140 LEU N N 15 122.638 0.3 . 1 . . . . . 141 LEU N . 53231 1 416 . 1 . 1 141 141 GLU H H 1 7.989 0.020 . 1 . . . . . 142 GLU H . 53231 1 417 . 1 . 1 141 141 GLU C C 13 178.525 0.3 . 1 . . . . . 142 GLU C . 53231 1 418 . 1 . 1 141 141 GLU CA C 13 58.630 0.3 . 1 . . . . . 142 GLU CA . 53231 1 419 . 1 . 1 141 141 GLU CB C 13 28.696 0.3 . 1 . . . . . 142 GLU CB . 53231 1 420 . 1 . 1 141 141 GLU N N 15 120.871 0.3 . 1 . . . . . 142 GLU N . 53231 1 421 . 1 . 1 142 142 PHE H H 1 8.262 0.020 . 1 . . . . . 143 PHE H . 53231 1 422 . 1 . 1 142 142 PHE C C 13 176.182 0.3 . 1 . . . . . 143 PHE C . 53231 1 423 . 1 . 1 142 142 PHE CA C 13 59.096 0.3 . 1 . . . . . 143 PHE CA . 53231 1 424 . 1 . 1 142 142 PHE CB C 13 38.533 0.3 . 1 . . . . . 143 PHE CB . 53231 1 425 . 1 . 1 142 142 PHE N N 15 120.951 0.3 . 1 . . . . . 143 PHE N . 53231 1 426 . 1 . 1 143 143 GLU H H 1 8.437 0.020 . 1 . . . . . 144 GLU H . 53231 1 427 . 1 . 1 143 143 GLU C C 13 177.980 0.3 . 1 . . . . . 144 GLU C . 53231 1 428 . 1 . 1 143 143 GLU CA C 13 59.335 0.3 . 1 . . . . . 144 GLU CA . 53231 1 429 . 1 . 1 143 143 GLU CB C 13 28.660 0.3 . 1 . . . . . 144 GLU CB . 53231 1 430 . 1 . 1 143 143 GLU N N 15 120.404 0.3 . 1 . . . . . 144 GLU N . 53231 1 431 . 1 . 1 144 144 GLU H H 1 7.575 0.020 . 1 . . . . . 145 GLU H . 53231 1 432 . 1 . 1 144 144 GLU C C 13 178.901 0.3 . 1 . . . . . 145 GLU C . 53231 1 433 . 1 . 1 144 144 GLU CA C 13 58.858 0.3 . 1 . . . . . 145 GLU CA . 53231 1 434 . 1 . 1 144 144 GLU CB C 13 28.053 0.3 . 1 . . . . . 145 GLU CB . 53231 1 435 . 1 . 1 144 144 GLU N N 15 118.942 0.3 . 1 . . . . . 145 GLU N . 53231 1 436 . 1 . 1 145 145 ASP H H 1 8.058 0.020 . 1 . . . . . 146 ASP H . 53231 1 437 . 1 . 1 145 145 ASP C C 13 179.456 0.3 . 1 . . . . . 146 ASP C . 53231 1 438 . 1 . 1 145 145 ASP CA C 13 56.861 0.3 . 1 . . . . . 146 ASP CA . 53231 1 439 . 1 . 1 145 145 ASP CB C 13 39.116 0.3 . 1 . . . . . 146 ASP CB . 53231 1 440 . 1 . 1 145 145 ASP N N 15 121.140 0.3 . 1 . . . . . 146 ASP N . 53231 1 441 . 1 . 1 146 146 LEU H H 1 8.404 0.020 . 1 . . . . . 147 LEU H . 53231 1 442 . 1 . 1 146 146 LEU C C 13 180.526 0.3 . 1 . . . . . 147 LEU C . 53231 1 443 . 1 . 1 146 146 LEU CA C 13 56.754 0.3 . 1 . . . . . 147 LEU CA . 53231 1 444 . 1 . 1 146 146 LEU CB C 13 40.133 0.3 . 1 . . . . . 147 LEU CB . 53231 1 445 . 1 . 1 146 146 LEU N N 15 121.851 0.3 . 1 . . . . . 147 LEU N . 53231 1 446 . 1 . 1 147 147 ASN H H 1 8.019 0.020 . 1 . . . . . 148 ASN H . 53231 1 447 . 1 . 1 147 147 ASN C C 13 176.514 0.3 . 1 . . . . . 148 ASN C . 53231 1 448 . 1 . 1 147 147 ASN CA C 13 54.399 0.3 . 1 . . . . . 148 ASN CA . 53231 1 449 . 1 . 1 147 147 ASN CB C 13 37.350 0.3 . 1 . . . . . 148 ASN CB . 53231 1 450 . 1 . 1 147 147 ASN N N 15 118.712 0.3 . 1 . . . . . 148 ASN N . 53231 1 451 . 1 . 1 148 148 ASN H H 1 7.969 0.020 . 1 . . . . . 149 ASN H . 53231 1 452 . 1 . 1 148 148 ASN C C 13 175.841 0.3 . 1 . . . . . 149 ASN C . 53231 1 453 . 1 . 1 148 148 ASN CA C 13 53.009 0.3 . 1 . . . . . 149 ASN CA . 53231 1 454 . 1 . 1 148 148 ASN CB C 13 38.294 0.3 . 1 . . . . . 149 ASN CB . 53231 1 455 . 1 . 1 148 148 ASN N N 15 117.925 0.3 . 1 . . . . . 149 ASN N . 53231 1 456 . 1 . 1 149 149 GLY H H 1 7.877 0.020 . 1 . . . . . 150 GLY H . 53231 1 457 . 1 . 1 149 149 GLY C C 13 174.450 0.3 . 1 . . . . . 150 GLY C . 53231 1 458 . 1 . 1 149 149 GLY CA C 13 45.506 0.3 . 1 . . . . . 150 GLY CA . 53231 1 459 . 1 . 1 149 149 GLY N N 15 109.713 0.3 . 1 . . . . . 150 GLY N . 53231 1 460 . 1 . 1 150 150 VAL H H 1 7.912 0.020 . 1 . . . . . 151 VAL H . 53231 1 461 . 1 . 1 150 150 VAL C C 13 175.573 0.3 . 1 . . . . . 151 VAL C . 53231 1 462 . 1 . 1 150 150 VAL CA C 13 61.902 0.3 . 1 . . . . . 151 VAL CA . 53231 1 463 . 1 . 1 150 150 VAL CB C 13 31.351 0.3 . 1 . . . . . 151 VAL CB . 53231 1 464 . 1 . 1 150 150 VAL N N 15 119.337 0.3 . 1 . . . . . 151 VAL N . 53231 1 465 . 1 . 1 151 151 THR H H 1 7.592 0.020 . 1 . . . . . 152 THR H . 53231 1 466 . 1 . 1 151 151 THR C C 13 178.607 0.3 . 1 . . . . . 152 THR C . 53231 1 467 . 1 . 1 151 151 THR CA C 13 62.161 0.3 . 1 . . . . . 152 THR CA . 53231 1 468 . 1 . 1 151 151 THR CB C 13 69.859 0.3 . 1 . . . . . 152 THR CB . 53231 1 469 . 1 . 1 151 151 THR N N 15 123.100 0.3 . 1 . . . . . 152 THR N . 53231 1 stop_ save_