################################### # 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 50607 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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-13C HSQC' . . . 50607 1 2 '2D 1H-13C HMBC' . . . 50607 1 3 '2D 1H-15N HMBC' . . . 50607 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 . . 50607 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 CYS HA H 1 4.352 0.020 . 1 . . . . . 1 CYS HA . 50607 1 2 . 1 . 1 1 1 CYS HB2 H 1 3.168 0.020 . 2 . . . . . 1 CYS HB2 . 50607 1 3 . 1 . 1 1 1 CYS HB3 H 1 3.117 0.020 . 2 . . . . . 1 CYS HB3 . 50607 1 4 . 1 . 1 1 1 CYS C C 13 170.884 0.3 . 1 . . . . . 1 CYS C . 50607 1 5 . 1 . 1 1 1 CYS CA C 13 56.765 0.3 . 1 . . . . . 1 CYS CA . 50607 1 6 . 1 . 1 1 1 CYS CB C 13 27.650 0.3 . 1 . . . . . 1 CYS CB . 50607 1 7 . 1 . 1 2 2 THR HA H 1 4.500 0.020 . 1 . . . . . 2 THR HA . 50607 1 8 . 1 . 1 2 2 THR HB H 1 4.257 0.020 . 1 . . . . . 2 THR HB . 50607 1 9 . 1 . 1 2 2 THR HG21 H 1 1.256 0.020 . 1 . . . . . 2 THR HG2 . 50607 1 10 . 1 . 1 2 2 THR HG22 H 1 1.256 0.020 . 1 . . . . . 2 THR HG2 . 50607 1 11 . 1 . 1 2 2 THR HG23 H 1 1.256 0.020 . 1 . . . . . 2 THR HG2 . 50607 1 12 . 1 . 1 2 2 THR C C 13 173.886 0.3 . 1 . . . . . 2 THR C . 50607 1 13 . 1 . 1 2 2 THR CA C 13 61.820 0.3 . 1 . . . . . 2 THR CA . 50607 1 14 . 1 . 1 2 2 THR CB C 13 69.410 0.3 . 1 . . . . . 2 THR CB . 50607 1 15 . 1 . 1 2 2 THR CG2 C 13 21.197 0.3 . 1 . . . . . 2 THR CG2 . 50607 1 16 . 1 . 1 3 3 THR H H 1 8.314 0.020 . 1 . . . . . 3 THR H . 50607 1 17 . 1 . 1 3 3 THR HA H 1 4.372 0.020 . 1 . . . . . 3 THR HA . 50607 1 18 . 1 . 1 3 3 THR HB H 1 4.202 0.020 . 1 . . . . . 3 THR HB . 50607 1 19 . 1 . 1 3 3 THR HG21 H 1 1.224 0.020 . 1 . . . . . 3 THR HG2 . 50607 1 20 . 1 . 1 3 3 THR HG22 H 1 1.224 0.020 . 1 . . . . . 3 THR HG2 . 50607 1 21 . 1 . 1 3 3 THR HG23 H 1 1.224 0.020 . 1 . . . . . 3 THR HG2 . 50607 1 22 . 1 . 1 3 3 THR C C 13 173.705 0.3 . 1 . . . . . 3 THR C . 50607 1 23 . 1 . 1 3 3 THR CA C 13 61.594 0.3 . 1 . . . . . 3 THR CA . 50607 1 24 . 1 . 1 3 3 THR CB C 13 69.562 0.3 . 1 . . . . . 3 THR CB . 50607 1 25 . 1 . 1 3 3 THR CG2 C 13 21.390 0.3 . 1 . . . . . 3 THR CG2 . 50607 1 26 . 1 . 1 3 3 THR N N 15 118.023 0.3 . 1 . . . . . 3 THR N . 50607 1 27 . 1 . 1 4 4 ARG H H 1 8.410 0.020 . 1 . . . . . 4 ARG H . 50607 1 28 . 1 . 1 4 4 ARG HA H 1 4.403 0.020 . 1 . . . . . 4 ARG HA . 50607 1 29 . 1 . 1 4 4 ARG HB2 H 1 1.772 0.020 . 2 . . . . . 4 ARG HB2 . 50607 1 30 . 1 . 1 4 4 ARG HB3 H 1 1.731 0.020 . 2 . . . . . 4 ARG HB3 . 50607 1 31 . 1 . 1 4 4 ARG HG2 H 1 1.585 0.020 . 2 . . . . . 4 ARG HG2 . 50607 1 32 . 1 . 1 4 4 ARG HG3 H 1 1.549 0.020 . 2 . . . . . 4 ARG HG3 . 50607 1 33 . 1 . 1 4 4 ARG HD2 H 1 3.169 0.020 . 1 . . . . . 4 ARG HD2 . 50607 1 34 . 1 . 1 4 4 ARG HD3 H 1 3.169 0.020 . 1 . . . . . 4 ARG HD3 . 50607 1 35 . 1 . 1 4 4 ARG HE H 1 7.097 0.020 . 1 . . . . . 4 ARG HE . 50607 1 36 . 1 . 1 4 4 ARG C C 13 175.526 0.3 . 1 . . . . . 4 ARG C . 50607 1 37 . 1 . 1 4 4 ARG CA C 13 55.675 0.3 . 1 . . . . . 4 ARG CA . 50607 1 38 . 1 . 1 4 4 ARG CB C 13 30.665 0.3 . 1 . . . . . 4 ARG CB . 50607 1 39 . 1 . 1 4 4 ARG CG C 13 26.630 0.3 . 1 . . . . . 4 ARG CG . 50607 1 40 . 1 . 1 4 4 ARG CD C 13 43.044 0.3 . 1 . . . . . 4 ARG CD . 50607 1 41 . 1 . 1 4 4 ARG CZ C 13 159.149 0.3 . 1 . . . . . 4 ARG CZ . 50607 1 42 . 1 . 1 4 4 ARG N N 15 124.141 0.3 . 1 . . . . . 4 ARG N . 50607 1 43 . 1 . 1 4 4 ARG NE N 15 84.856 0.3 . 1 . . . . . 4 ARG NE . 50607 1 44 . 1 . 1 5 5 THR H H 1 8.136 0.020 . 1 . . . . . 5 THR H . 50607 1 45 . 1 . 1 5 5 THR HA H 1 4.300 0.020 . 1 . . . . . 5 THR HA . 50607 1 46 . 1 . 1 5 5 THR HB H 1 4.054 0.020 . 1 . . . . . 5 THR HB . 50607 1 47 . 1 . 1 5 5 THR HG21 H 1 1.096 0.020 . 1 . . . . . 5 THR HG2 . 50607 1 48 . 1 . 1 5 5 THR HG22 H 1 1.096 0.020 . 1 . . . . . 5 THR HG2 . 50607 1 49 . 1 . 1 5 5 THR HG23 H 1 1.096 0.020 . 1 . . . . . 5 THR HG2 . 50607 1 50 . 1 . 1 5 5 THR C C 13 173.278 0.3 . 1 . . . . . 5 THR C . 50607 1 51 . 1 . 1 5 5 THR CA C 13 61.393 0.3 . 1 . . . . . 5 THR CA . 50607 1 52 . 1 . 1 5 5 THR CB C 13 69.598 0.3 . 1 . . . . . 5 THR CB . 50607 1 53 . 1 . 1 5 5 THR CG2 C 13 21.123 0.3 . 1 . . . . . 5 THR CG2 . 50607 1 54 . 1 . 1 5 5 THR N N 15 116.249 0.3 . 1 . . . . . 5 THR N . 50607 1 55 . 1 . 1 6 6 TYR H H 1 8.211 0.020 . 1 . . . . . 6 TYR H . 50607 1 56 . 1 . 1 6 6 TYR HA H 1 4.582 0.020 . 1 . . . . . 6 TYR HA . 50607 1 57 . 1 . 1 6 6 TYR HB2 H 1 2.995 0.020 . 2 . . . . . 6 TYR HB2 . 50607 1 58 . 1 . 1 6 6 TYR HB3 H 1 2.892 0.020 . 2 . . . . . 6 TYR HB3 . 50607 1 59 . 1 . 1 6 6 TYR HD1 H 1 7.035 0.020 . 1 . . . . . 6 TYR HD1 . 50607 1 60 . 1 . 1 6 6 TYR HD2 H 1 7.035 0.020 . 1 . . . . . 6 TYR HD2 . 50607 1 61 . 1 . 1 6 6 TYR HE1 H 1 6.752 0.020 . 1 . . . . . 6 TYR HE1 . 50607 1 62 . 1 . 1 6 6 TYR HE2 H 1 6.752 0.020 . 1 . . . . . 6 TYR HE2 . 50607 1 63 . 1 . 1 6 6 TYR C C 13 174.501 0.3 . 1 . . . . . 6 TYR C . 50607 1 64 . 1 . 1 6 6 TYR CA C 13 57.310 0.3 . 1 . . . . . 6 TYR CA . 50607 1 65 . 1 . 1 6 6 TYR CB C 13 38.804 0.3 . 1 . . . . . 6 TYR CB . 50607 1 66 . 1 . 1 6 6 TYR CG C 13 130.183 0.3 . 1 . . . . . 6 TYR CG . 50607 1 67 . 1 . 1 6 6 TYR CD1 C 13 132.887 0.3 . 1 . . . . . 6 TYR CD1 . 50607 1 68 . 1 . 1 6 6 TYR CE1 C 13 117.639 0.3 . 1 . . . . . 6 TYR CE1 . 50607 1 69 . 1 . 1 6 6 TYR CZ C 13 156.822 0.3 . 1 . . . . . 6 TYR CZ . 50607 1 70 . 1 . 1 6 6 TYR N N 15 122.825 0.3 . 1 . . . . . 6 TYR N . 50607 1 71 . 1 . 1 7 7 TYR H H 1 8.129 0.020 . 1 . . . . . 7 TYR H . 50607 1 72 . 1 . 1 7 7 TYR HA H 1 4.627 0.020 . 1 . . . . . 7 TYR HA . 50607 1 73 . 1 . 1 7 7 TYR HB2 H 1 2.950 0.020 . 2 . . . . . 7 TYR HB2 . 50607 1 74 . 1 . 1 7 7 TYR HB3 H 1 2.934 0.020 . 2 . . . . . 7 TYR HB3 . 50607 1 75 . 1 . 1 7 7 TYR HD1 H 1 7.087 0.020 . 1 . . . . . 7 TYR HD1 . 50607 1 76 . 1 . 1 7 7 TYR HD2 H 1 7.087 0.020 . 1 . . . . . 7 TYR HD2 . 50607 1 77 . 1 . 1 7 7 TYR HE1 H 1 6.814 0.020 . 1 . . . . . 7 TYR HE1 . 50607 1 78 . 1 . 1 7 7 TYR HE2 H 1 6.814 0.020 . 1 . . . . . 7 TYR HE2 . 50607 1 79 . 1 . 1 7 7 TYR C C 13 174.566 0.3 . 1 . . . . . 7 TYR C . 50607 1 80 . 1 . 1 7 7 TYR CA C 13 57.204 0.3 . 1 . . . . . 7 TYR CA . 50607 1 81 . 1 . 1 7 7 TYR CB C 13 38.906 0.3 . 1 . . . . . 7 TYR CB . 50607 1 82 . 1 . 1 7 7 TYR CG C 13 130.110 0.3 . 1 . . . . . 7 TYR CG . 50607 1 83 . 1 . 1 7 7 TYR CD1 C 13 132.797 0.3 . 1 . . . . . 7 TYR CD1 . 50607 1 84 . 1 . 1 7 7 TYR CE1 C 13 117.639 0.3 . 1 . . . . . 7 TYR CE1 . 50607 1 85 . 1 . 1 7 7 TYR CZ C 13 156.875 0.3 . 1 . . . . . 7 TYR CZ . 50607 1 86 . 1 . 1 7 7 TYR N N 15 122.657 0.3 . 1 . . . . . 7 TYR N . 50607 1 87 . 1 . 1 8 8 THR H H 1 8.008 0.020 . 1 . . . . . 8 THR H . 50607 1 88 . 1 . 1 8 8 THR HA H 1 4.536 0.020 . 1 . . . . . 8 THR HA . 50607 1 89 . 1 . 1 8 8 THR HB H 1 4.101 0.020 . 1 . . . . . 8 THR HB . 50607 1 90 . 1 . 1 8 8 THR HG21 H 1 1.226 0.020 . 1 . . . . . 8 THR HG2 . 50607 1 91 . 1 . 1 8 8 THR HG22 H 1 1.226 0.020 . 1 . . . . . 8 THR HG2 . 50607 1 92 . 1 . 1 8 8 THR HG23 H 1 1.226 0.020 . 1 . . . . . 8 THR HG2 . 50607 1 93 . 1 . 1 8 8 THR C C 13 171.949 0.3 . 1 . . . . . 8 THR C . 50607 1 94 . 1 . 1 8 8 THR CA C 13 58.942 0.3 . 1 . . . . . 8 THR CA . 50607 1 95 . 1 . 1 8 8 THR CB C 13 69.591 0.3 . 1 . . . . . 8 THR CB . 50607 1 96 . 1 . 1 8 8 THR CG2 C 13 20.911 0.3 . 1 . . . . . 8 THR CG2 . 50607 1 97 . 1 . 1 8 8 THR N N 15 119.731 0.3 . 1 . . . . . 8 THR N . 50607 1 98 . 1 . 1 9 9 PRO HA H 1 4.430 0.020 . 1 . . . . . 9 PRO HA . 50607 1 99 . 1 . 1 9 9 PRO HB2 H 1 2.359 0.020 . 2 . . . . . 9 PRO HB2 . 50607 1 100 . 1 . 1 9 9 PRO HB3 H 1 1.957 0.020 . 2 . . . . . 9 PRO HB3 . 50607 1 101 . 1 . 1 9 9 PRO HG2 H 1 2.034 0.020 . 2 . . . . . 9 PRO HG2 . 50607 1 102 . 1 . 1 9 9 PRO HG3 H 1 2.049 0.020 . 2 . . . . . 9 PRO HG3 . 50607 1 103 . 1 . 1 9 9 PRO HD2 H 1 3.709 0.020 . 1 . . . . . 9 PRO HD2 . 50607 1 104 . 1 . 1 9 9 PRO HD3 H 1 3.709 0.020 . 1 . . . . . 9 PRO HD3 . 50607 1 105 . 1 . 1 9 9 PRO C C 13 176.579 0.3 . 1 . . . . . 9 PRO C . 50607 1 106 . 1 . 1 9 9 PRO CA C 13 62.911 0.3 . 1 . . . . . 9 PRO CA . 50607 1 107 . 1 . 1 9 9 PRO CB C 13 31.798 0.3 . 1 . . . . . 9 PRO CB . 50607 1 108 . 1 . 1 9 9 PRO CG C 13 26.970 0.3 . 1 . . . . . 9 PRO CG . 50607 1 109 . 1 . 1 9 9 PRO CD C 13 50.707 0.3 . 1 . . . . . 9 PRO CD . 50607 1 110 . 1 . 1 10 10 THR H H 1 8.133 0.020 . 1 . . . . . 10 THR H . 50607 1 111 . 1 . 1 10 10 THR HA H 1 4.276 0.020 . 1 . . . . . 10 THR HA . 50607 1 112 . 1 . 1 10 10 THR HB H 1 4.204 0.020 . 1 . . . . . 10 THR HB . 50607 1 113 . 1 . 1 10 10 THR HG21 H 1 1.244 0.020 . 1 . . . . . 10 THR HG2 . 50607 1 114 . 1 . 1 10 10 THR HG22 H 1 1.244 0.020 . 1 . . . . . 10 THR HG2 . 50607 1 115 . 1 . 1 10 10 THR HG23 H 1 1.244 0.020 . 1 . . . . . 10 THR HG2 . 50607 1 116 . 1 . 1 10 10 THR C C 13 174.051 0.3 . 1 . . . . . 10 THR C . 50607 1 117 . 1 . 1 10 10 THR CA C 13 61.851 0.3 . 1 . . . . . 10 THR CA . 50607 1 118 . 1 . 1 10 10 THR CB C 13 69.438 0.3 . 1 . . . . . 10 THR CB . 50607 1 119 . 1 . 1 10 10 THR CG2 C 13 21.290 0.3 . 1 . . . . . 10 THR CG2 . 50607 1 120 . 1 . 1 10 10 THR N N 15 114.593 0.3 . 1 . . . . . 10 THR N . 50607 1 121 . 1 . 1 11 11 ARG H H 1 8.307 0.020 . 1 . . . . . 11 ARG H . 50607 1 122 . 1 . 1 11 11 ARG HA H 1 4.368 0.020 . 1 . . . . . 11 ARG HA . 50607 1 123 . 1 . 1 11 11 ARG HB2 H 1 1.876 0.020 . 2 . . . . . 11 ARG HB2 . 50607 1 124 . 1 . 1 11 11 ARG HB3 H 1 1.790 0.020 . 2 . . . . . 11 ARG HB3 . 50607 1 125 . 1 . 1 11 11 ARG HG2 H 1 1.639 0.020 . 1 . . . . . 11 ARG HG2 . 50607 1 126 . 1 . 1 11 11 ARG HG3 H 1 1.639 0.020 . 1 . . . . . 11 ARG HG3 . 50607 1 127 . 1 . 1 11 11 ARG HD2 H 1 3.212 0.020 . 1 . . . . . 11 ARG HD2 . 50607 1 128 . 1 . 1 11 11 ARG HE H 1 7.188 0.020 . 1 . . . . . 11 ARG HE . 50607 1 129 . 1 . 1 11 11 ARG C C 13 175.438 0.3 . 1 . . . . . 11 ARG C . 50607 1 130 . 1 . 1 11 11 ARG CA C 13 55.729 0.3 . 1 . . . . . 11 ARG CA . 50607 1 131 . 1 . 1 11 11 ARG CB C 13 30.355 0.3 . 1 . . . . . 11 ARG CB . 50607 1 132 . 1 . 1 11 11 ARG CG C 13 26.731 0.3 . 1 . . . . . 11 ARG CG . 50607 1 133 . 1 . 1 11 11 ARG CD C 13 42.956 0.3 . 1 . . . . . 11 ARG CD . 50607 1 134 . 1 . 1 11 11 ARG CZ C 13 159.049 0.3 . 1 . . . . . 11 ARG CZ . 50607 1 135 . 1 . 1 11 11 ARG N N 15 123.385 0.3 . 1 . . . . . 11 ARG N . 50607 1 136 . 1 . 1 11 11 ARG NE N 15 84.582 0.3 . 1 . . . . . 11 ARG NE . 50607 1 137 . 1 . 1 12 12 MET H H 1 8.311 0.020 . 1 . . . . . 12 MET H . 50607 1 138 . 1 . 1 12 12 MET HA H 1 4.470 0.020 . 1 . . . . . 12 MET HA . 50607 1 139 . 1 . 1 12 12 MET HB2 H 1 2.074 0.020 . 2 . . . . . 12 MET HB2 . 50607 1 140 . 1 . 1 12 12 MET HB3 H 1 2.006 0.020 . 2 . . . . . 12 MET HB3 . 50607 1 141 . 1 . 1 12 12 MET HG2 H 1 2.606 0.020 . 2 . . . . . 12 MET HG2 . 50607 1 142 . 1 . 1 12 12 MET HG3 H 1 2.545 0.020 . 2 . . . . . 12 MET HG3 . 50607 1 143 . 1 . 1 12 12 MET HE1 H 1 2.118 0.020 . 1 . . . . . 12 MET HE . 50607 1 144 . 1 . 1 12 12 MET HE2 H 1 2.118 0.020 . 1 . . . . . 12 MET HE . 50607 1 145 . 1 . 1 12 12 MET HE3 H 1 2.118 0.020 . 1 . . . . . 12 MET HE . 50607 1 146 . 1 . 1 12 12 MET C C 13 175.435 0.3 . 1 . . . . . 12 MET C . 50607 1 147 . 1 . 1 12 12 MET CA C 13 55.131 0.3 . 1 . . . . . 12 MET CA . 50607 1 148 . 1 . 1 12 12 MET CB C 13 32.810 0.3 . 1 . . . . . 12 MET CB . 50607 1 149 . 1 . 1 12 12 MET CG C 13 31.636 0.3 . 1 . . . . . 12 MET CG . 50607 1 150 . 1 . 1 12 12 MET CE C 13 16.613 0.3 . 1 . . . . . 12 MET CE . 50607 1 151 . 1 . 1 12 12 MET N N 15 121.719 0.3 . 1 . . . . . 12 MET N . 50607 1 152 . 1 . 1 13 13 LYS H H 1 8.345 0.020 . 1 . . . . . 13 LYS H . 50607 1 153 . 1 . 1 13 13 LYS HA H 1 4.360 0.020 . 1 . . . . . 13 LYS HA . 50607 1 154 . 1 . 1 13 13 LYS HB2 H 1 1.832 0.020 . 2 . . . . . 13 LYS HB2 . 50607 1 155 . 1 . 1 13 13 LYS HB3 H 1 1.773 0.020 . 2 . . . . . 13 LYS HB3 . 50607 1 156 . 1 . 1 13 13 LYS HG2 H 1 1.465 0.020 . 2 . . . . . 13 LYS HG2 . 50607 1 157 . 1 . 1 13 13 LYS HG3 H 1 1.394 0.020 . 2 . . . . . 13 LYS HG3 . 50607 1 158 . 1 . 1 13 13 LYS HD2 H 1 1.703 0.020 . 1 . . . . . 13 LYS HD2 . 50607 1 159 . 1 . 1 13 13 LYS HD3 H 1 1.703 0.020 . 1 . . . . . 13 LYS HD3 . 50607 1 160 . 1 . 1 13 13 LYS HE2 H 1 3.013 0.020 . 1 . . . . . 13 LYS HE2 . 50607 1 161 . 1 . 1 13 13 LYS HE3 H 1 3.013 0.020 . 1 . . . . . 13 LYS HE3 . 50607 1 162 . 1 . 1 13 13 LYS C C 13 175.847 0.3 . 1 . . . . . 13 LYS C . 50607 1 163 . 1 . 1 13 13 LYS CA C 13 56.050 0.3 . 1 . . . . . 13 LYS CA . 50607 1 164 . 1 . 1 13 13 LYS CB C 13 32.706 0.3 . 1 . . . . . 13 LYS CB . 50607 1 165 . 1 . 1 13 13 LYS CG C 13 24.396 0.3 . 1 . . . . . 13 LYS CG . 50607 1 166 . 1 . 1 13 13 LYS CD C 13 28.816 0.3 . 1 . . . . . 13 LYS CD . 50607 1 167 . 1 . 1 13 13 LYS CE C 13 41.801 0.3 . 1 . . . . . 13 LYS CE . 50607 1 168 . 1 . 1 13 13 LYS N N 15 123.429 0.3 . 1 . . . . . 13 LYS N . 50607 1 169 . 1 . 1 14 14 VAL H H 1 8.184 0.020 . 1 . . . . . 14 VAL H . 50607 1 170 . 1 . 1 14 14 VAL HA H 1 4.199 0.020 . 1 . . . . . 14 VAL HA . 50607 1 171 . 1 . 1 14 14 VAL HB H 1 2.098 0.020 . 1 . . . . . 14 VAL HB . 50607 1 172 . 1 . 1 14 14 VAL HG11 H 1 0.952 0.020 . 1 . . . . . 14 VAL HG1 . 50607 1 173 . 1 . 1 14 14 VAL HG12 H 1 0.952 0.020 . 1 . . . . . 14 VAL HG1 . 50607 1 174 . 1 . 1 14 14 VAL HG13 H 1 0.952 0.020 . 1 . . . . . 14 VAL HG1 . 50607 1 175 . 1 . 1 14 14 VAL HG21 H 1 0.951 0.020 . 1 . . . . . 14 VAL HG2 . 50607 1 176 . 1 . 1 14 14 VAL HG22 H 1 0.951 0.020 . 1 . . . . . 14 VAL HG2 . 50607 1 177 . 1 . 1 14 14 VAL HG23 H 1 0.951 0.020 . 1 . . . . . 14 VAL HG2 . 50607 1 178 . 1 . 1 14 14 VAL C C 13 175.582 0.3 . 1 . . . . . 14 VAL C . 50607 1 179 . 1 . 1 14 14 VAL CA C 13 61.721 0.3 . 1 . . . . . 14 VAL CA . 50607 1 180 . 1 . 1 14 14 VAL CB C 13 32.657 0.3 . 1 . . . . . 14 VAL CB . 50607 1 181 . 1 . 1 14 14 VAL CG1 C 13 20.818 0.3 . 1 . . . . . 14 VAL CG1 . 50607 1 182 . 1 . 1 14 14 VAL CG2 C 13 20.063 0.3 . 1 . . . . . 14 VAL CG2 . 50607 1 183 . 1 . 1 14 14 VAL N N 15 121.789 0.3 . 1 . . . . . 14 VAL N . 50607 1 184 . 1 . 1 15 15 SER H H 1 8.385 0.020 . 1 . . . . . 15 SER H . 50607 1 185 . 1 . 1 15 15 SER HA H 1 4.530 0.020 . 1 . . . . . 15 SER HA . 50607 1 186 . 1 . 1 15 15 SER HB2 H 1 3.882 0.020 . 1 . . . . . 15 SER HB2 . 50607 1 187 . 1 . 1 15 15 SER HB3 H 1 3.882 0.020 . 1 . . . . . 15 SER HB3 . 50607 1 188 . 1 . 1 15 15 SER C C 13 173.628 0.3 . 1 . . . . . 15 SER C . 50607 1 189 . 1 . 1 15 15 SER CA C 13 57.751 0.3 . 1 . . . . . 15 SER CA . 50607 1 190 . 1 . 1 15 15 SER CB C 13 63.689 0.3 . 1 . . . . . 15 SER CB . 50607 1 191 . 1 . 1 15 15 SER N N 15 119.980 0.3 . 1 . . . . . 15 SER N . 50607 1 192 . 1 . 1 16 16 LYS H H 1 8.397 0.020 . 1 . . . . . 16 LYS H . 50607 1 193 . 1 . 1 16 16 LYS HA H 1 4.403 0.020 . 1 . . . . . 16 LYS HA . 50607 1 194 . 1 . 1 16 16 LYS HB2 H 1 1.911 0.020 . 2 . . . . . 16 LYS HB2 . 50607 1 195 . 1 . 1 16 16 LYS HB3 H 1 1.794 0.020 . 2 . . . . . 16 LYS HB3 . 50607 1 196 . 1 . 1 16 16 LYS HG2 H 1 1.472 0.020 . 1 . . . . . 16 LYS HG2 . 50607 1 197 . 1 . 1 16 16 LYS HG3 H 1 1.472 0.020 . 1 . . . . . 16 LYS HG3 . 50607 1 198 . 1 . 1 16 16 LYS HD2 H 1 1.700 0.020 . 1 . . . . . 16 LYS HD2 . 50607 1 199 . 1 . 1 16 16 LYS HD3 H 1 1.700 0.020 . 1 . . . . . 16 LYS HD3 . 50607 1 200 . 1 . 1 16 16 LYS HE2 H 1 3.016 0.020 . 1 . . . . . 16 LYS HE2 . 50607 1 201 . 1 . 1 16 16 LYS HE3 H 1 3.016 0.020 . 1 . . . . . 16 LYS HE3 . 50607 1 202 . 1 . 1 16 16 LYS C C 13 175.088 0.3 . 1 . . . . . 16 LYS C . 50607 1 203 . 1 . 1 16 16 LYS CA C 13 56.156 0.3 . 1 . . . . . 16 LYS CA . 50607 1 204 . 1 . 1 16 16 LYS CB C 13 32.778 0.3 . 1 . . . . . 16 LYS CB . 50607 1 205 . 1 . 1 16 16 LYS CG C 13 24.296 0.3 . 1 . . . . . 16 LYS CG . 50607 1 206 . 1 . 1 16 16 LYS CD C 13 28.704 0.3 . 1 . . . . . 16 LYS CD . 50607 1 207 . 1 . 1 16 16 LYS CE C 13 41.697 0.3 . 1 . . . . . 16 LYS CE . 50607 1 208 . 1 . 1 16 16 LYS N N 15 123.903 0.3 . 1 . . . . . 16 LYS N . 50607 1 209 . 1 . 1 17 17 CYS H H 1 8.029 0.020 . 1 . . . . . 17 CYS H . 50607 1 210 . 1 . 1 17 17 CYS HA H 1 4.400 0.020 . 1 . . . . . 17 CYS HA . 50607 1 211 . 1 . 1 17 17 CYS HB2 H 1 2.943 0.020 . 1 . . . . . 17 CYS HB2 . 50607 1 212 . 1 . 1 17 17 CYS C C 13 178.108 0.3 . 1 . . . . . 17 CYS C . 50607 1 213 . 1 . 1 17 17 CYS CA C 13 59.027 0.3 . 1 . . . . . 17 CYS CA . 50607 1 214 . 1 . 1 17 17 CYS CB C 13 28.724 0.3 . 1 . . . . . 17 CYS CB . 50607 1 215 . 1 . 1 17 17 CYS N N 15 124.547 0.3 . 1 . . . . . 17 CYS N . 50607 1 stop_ save_