################################### # 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 34797 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-1H NOESY' . . . 34797 1 2 '2D 1H-13C HSQC' . . . 34797 1 3 '2D 1H-1H TOCSY' . . . 34797 1 4 '2D 1H-1H COSY' . . . 34797 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.175 0.020 . 1 . . . . A 1 ALA HA . 34797 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.382 0.020 . 1 . . . . A 1 ALA HB1 . 34797 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.382 0.020 . 1 . . . . A 1 ALA HB2 . 34797 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.382 0.020 . 1 . . . . A 1 ALA HB3 . 34797 1 5 . 1 . 1 1 1 ALA CB C 13 23.108 0.400 . 1 . . . . A 1 ALA CB . 34797 1 6 . 1 . 1 2 2 HYP CA C 13 61.745 0.400 . 1 . . . . A 2 HYP CA . 34797 1 7 . 1 . 1 2 2 HYP CB C 13 40.070 0.400 . 1 . . . . A 2 HYP CB . 34797 1 8 . 1 . 1 2 2 HYP CD C 13 58.561 0.400 . 1 . . . . A 2 HYP CD . 34797 1 9 . 1 . 1 2 2 HYP CG C 13 72.787 0.400 . 1 . . . . A 2 HYP CG . 34797 1 10 . 1 . 1 2 2 HYP HA H 1 4.544 0.020 . 1 . . . . A 2 HYP HA . 34797 1 11 . 1 . 1 2 2 HYP HB2 H 1 1.856 0.020 . 2 . . . . A 2 HYP HB2 . 34797 1 12 . 1 . 1 2 2 HYP HB3 H 1 2.153 0.020 . 2 . . . . A 2 HYP HB3 . 34797 1 13 . 1 . 1 2 2 HYP HD22 H 1 3.767 0.020 . 2 . . . . A 2 HYP HD22 . 34797 1 14 . 1 . 1 2 2 HYP HD23 H 1 3.721 0.020 . 2 . . . . A 2 HYP HD23 . 34797 1 15 . 1 . 1 2 2 HYP HG H 1 4.582 0.020 . 1 . . . . A 2 HYP HG . 34797 1 16 . 1 . 1 3 3 GLN H H 1 8.600 0.020 . 1 . . . . A 3 GLN H . 34797 1 17 . 1 . 1 3 3 GLN HA H 1 4.233 0.020 . 1 . . . . A 3 GLN HA . 34797 1 18 . 1 . 1 3 3 GLN HB2 H 1 1.781 0.020 . 2 . . . . A 3 GLN HB2 . 34797 1 19 . 1 . 1 3 3 GLN HB3 H 1 1.948 0.020 . 2 . . . . A 3 GLN HB3 . 34797 1 20 . 1 . 1 3 3 GLN HG2 H 1 2.257 0.020 . 2 . . . . A 3 GLN HG2 . 34797 1 21 . 1 . 1 3 3 GLN HG3 H 1 2.257 0.020 . 2 . . . . A 3 GLN HG3 . 34797 1 22 . 1 . 1 3 3 GLN CA C 13 56.492 0.400 . 1 . . . . A 3 GLN CA . 34797 1 23 . 1 . 1 3 3 GLN CB C 13 28.339 0.400 . 1 . . . . A 3 GLN CB . 34797 1 24 . 1 . 1 3 3 GLN CG C 13 33.686 0.400 . 1 . . . . A 3 GLN CG . 34797 1 25 . 1 . 1 4 4 CYS H H 1 7.960 0.020 . 1 . . . . A 4 CYS H . 34797 1 26 . 1 . 1 4 4 CYS HA H 1 4.317 0.020 . 1 . . . . A 4 CYS HA . 34797 1 27 . 1 . 1 4 4 CYS HB2 H 1 2.699 0.020 . 2 . . . . A 4 CYS HB2 . 34797 1 28 . 1 . 1 4 4 CYS HB3 H 1 3.074 0.020 . 2 . . . . A 4 CYS HB3 . 34797 1 29 . 1 . 1 4 4 CYS CA C 13 56.547 0.400 . 1 . . . . A 4 CYS CA . 34797 1 30 . 1 . 1 4 4 CYS CB C 13 38.037 0.400 . 1 . . . . A 4 CYS CB . 34797 1 31 . 1 . 1 5 5 CYS H H 1 8.224 0.020 . 1 . . . . A 5 CYS H . 34797 1 32 . 1 . 1 5 5 CYS HA H 1 4.651 0.020 . 1 . . . . A 5 CYS HA . 34797 1 33 . 1 . 1 5 5 CYS HB2 H 1 2.966 0.020 . 2 . . . . A 5 CYS HB2 . 34797 1 34 . 1 . 1 5 5 CYS HB3 H 1 3.458 0.020 . 2 . . . . A 5 CYS HB3 . 34797 1 35 . 1 . 1 6 6 ARG H H 1 8.051 0.020 . 1 . . . . A 6 ARG H . 34797 1 36 . 1 . 1 6 6 ARG HA H 1 4.210 0.020 . 1 . . . . A 6 ARG HA . 34797 1 37 . 1 . 1 6 6 ARG HB2 H 1 1.931 0.020 . 2 . . . . A 6 ARG HB2 . 34797 1 38 . 1 . 1 6 6 ARG HB3 H 1 2.012 0.020 . 2 . . . . A 6 ARG HB3 . 34797 1 39 . 1 . 1 6 6 ARG HG2 H 1 1.767 0.020 . 2 . . . . A 6 ARG HG2 . 34797 1 40 . 1 . 1 6 6 ARG HG3 H 1 1.687 0.020 . 2 . . . . A 6 ARG HG3 . 34797 1 41 . 1 . 1 6 6 ARG HD2 H 1 3.221 0.020 . 2 . . . . A 6 ARG HD2 . 34797 1 42 . 1 . 1 6 6 ARG HD3 H 1 3.221 0.020 . 2 . . . . A 6 ARG HD3 . 34797 1 43 . 1 . 1 6 6 ARG HE H 1 7.215 0.020 . 1 . . . . A 6 ARG HE . 34797 1 44 . 1 . 1 6 6 ARG CA C 13 58.141 0.400 . 1 . . . . A 6 ARG CA . 34797 1 45 . 1 . 1 6 6 ARG CB C 13 31.050 0.400 . 1 . . . . A 6 ARG CB . 34797 1 46 . 1 . 1 6 6 ARG CG C 13 27.709 0.400 . 1 . . . . A 6 ARG CG . 34797 1 47 . 1 . 1 6 6 ARG CD C 13 43.410 0.400 . 1 . . . . A 6 ARG CD . 34797 1 48 . 1 . 1 7 7 SER H H 1 7.263 0.020 . 1 . . . . A 7 SER H . 34797 1 49 . 1 . 1 7 7 SER HA H 1 4.597 0.020 . 1 . . . . A 7 SER HA . 34797 1 50 . 1 . 1 7 7 SER HB2 H 1 4.027 0.020 . 2 . . . . A 7 SER HB2 . 34797 1 51 . 1 . 1 7 7 SER HB3 H 1 3.492 0.020 . 2 . . . . A 7 SER HB3 . 34797 1 52 . 1 . 1 7 7 SER CA C 13 57.875 0.400 . 1 . . . . A 7 SER CA . 34797 1 53 . 1 . 1 7 7 SER CB C 13 64.522 0.400 . 1 . . . . A 7 SER CB . 34797 1 54 . 1 . 1 8 8 ALA H H 1 9.030 0.020 . 1 . . . . A 8 ALA H . 34797 1 55 . 1 . 1 8 8 ALA HA H 1 4.415 0.020 . 1 . . . . A 8 ALA HA . 34797 1 56 . 1 . 1 8 8 ALA HB1 H 1 1.512 0.020 . 1 . . . . A 8 ALA HB1 . 34797 1 57 . 1 . 1 8 8 ALA HB2 H 1 1.512 0.020 . 1 . . . . A 8 ALA HB2 . 34797 1 58 . 1 . 1 8 8 ALA HB3 H 1 1.512 0.020 . 1 . . . . A 8 ALA HB3 . 34797 1 59 . 1 . 1 8 8 ALA CA C 13 55.167 0.400 . 1 . . . . A 8 ALA CA . 34797 1 60 . 1 . 1 8 8 ALA CB C 13 18.214 0.400 . 1 . . . . A 8 ALA CB . 34797 1 61 . 1 . 1 9 9 LYS H H 1 8.155 0.020 . 1 . . . . A 9 LYS H . 34797 1 62 . 1 . 1 9 9 LYS HA H 1 4.098 0.020 . 1 . . . . A 9 LYS HA . 34797 1 63 . 1 . 1 9 9 LYS HB2 H 1 1.661 0.020 . 2 . . . . A 9 LYS HB2 . 34797 1 64 . 1 . 1 9 9 LYS HB3 H 1 1.607 0.020 . 2 . . . . A 9 LYS HB3 . 34797 1 65 . 1 . 1 9 9 LYS HG2 H 1 1.158 0.020 . 2 . . . . A 9 LYS HG2 . 34797 1 66 . 1 . 1 9 9 LYS HG3 H 1 1.063 0.020 . 2 . . . . A 9 LYS HG3 . 34797 1 67 . 1 . 1 9 9 LYS HD2 H 1 1.551 0.020 . 2 . . . . A 9 LYS HD2 . 34797 1 68 . 1 . 1 9 9 LYS HD3 H 1 1.551 0.020 . 2 . . . . A 9 LYS HD3 . 34797 1 69 . 1 . 1 9 9 LYS HE2 H 1 2.860 0.020 . 2 . . . . A 9 LYS HE2 . 34797 1 70 . 1 . 1 9 9 LYS HE3 H 1 2.860 0.020 . 2 . . . . A 9 LYS HE3 . 34797 1 71 . 1 . 1 9 9 LYS CA C 13 58.815 0.400 . 1 . . . . A 9 LYS CA . 34797 1 72 . 1 . 1 9 9 LYS CB C 13 32.001 0.400 . 1 . . . . A 9 LYS CB . 34797 1 73 . 1 . 1 9 9 LYS CG C 13 24.562 0.400 . 1 . . . . A 9 LYS CG . 34797 1 74 . 1 . 1 9 9 LYS CD C 13 29.322 0.400 . 1 . . . . A 9 LYS CD . 34797 1 75 . 1 . 1 9 9 LYS CE C 13 42.279 0.400 . 1 . . . . A 9 LYS CE . 34797 1 76 . 1 . 1 10 10 TYR H H 1 7.792 0.020 . 1 . . . . A 10 TYR H . 34797 1 77 . 1 . 1 10 10 TYR HA H 1 4.518 0.020 . 1 . . . . A 10 TYR HA . 34797 1 78 . 1 . 1 10 10 TYR HB2 H 1 3.194 0.020 . 2 . . . . A 10 TYR HB2 . 34797 1 79 . 1 . 1 10 10 TYR HB3 H 1 3.489 0.020 . 2 . . . . A 10 TYR HB3 . 34797 1 80 . 1 . 1 10 10 TYR HD1 H 1 7.276 0.020 . 1 . . . . A 10 TYR HD1 . 34797 1 81 . 1 . 1 10 10 TYR HD2 H 1 7.276 0.020 . 1 . . . . A 10 TYR HD2 . 34797 1 82 . 1 . 1 10 10 TYR HE1 H 1 6.862 0.020 . 1 . . . . A 10 TYR HE1 . 34797 1 83 . 1 . 1 10 10 TYR HE2 H 1 6.862 0.020 . 1 . . . . A 10 TYR HE2 . 34797 1 84 . 1 . 1 10 10 TYR CA C 13 59.859 0.400 . 1 . . . . A 10 TYR CA . 34797 1 85 . 1 . 1 10 10 TYR CB C 13 37.523 0.400 . 1 . . . . A 10 TYR CB . 34797 1 86 . 1 . 1 11 11 CYS H H 1 7.824 0.020 . 1 . . . . A 11 CYS H . 34797 1 87 . 1 . 1 11 11 CYS HA H 1 4.630 0.020 . 1 . . . . A 11 CYS HA . 34797 1 88 . 1 . 1 11 11 CYS HB2 H 1 3.091 0.020 . 2 . . . . A 11 CYS HB2 . 34797 1 89 . 1 . 1 11 11 CYS HB3 H 1 3.350 0.020 . 2 . . . . A 11 CYS HB3 . 34797 1 90 . 1 . 1 11 11 CYS CB C 13 36.753 0.400 . 1 . . . . A 11 CYS CB . 34797 1 91 . 1 . 1 12 12 GLN H H 1 7.496 0.020 . 1 . . . . A 12 GLN H . 34797 1 92 . 1 . 1 12 12 GLN HA H 1 4.344 0.020 . 1 . . . . A 12 GLN HA . 34797 1 93 . 1 . 1 12 12 GLN HB2 H 1 2.046 0.020 . 2 . . . . A 12 GLN HB2 . 34797 1 94 . 1 . 1 12 12 GLN HB3 H 1 2.357 0.020 . 2 . . . . A 12 GLN HB3 . 34797 1 95 . 1 . 1 12 12 GLN HG2 H 1 2.472 0.020 . 2 . . . . A 12 GLN HG2 . 34797 1 96 . 1 . 1 12 12 GLN HG3 H 1 2.472 0.020 . 2 . . . . A 12 GLN HG3 . 34797 1 97 . 1 . 1 12 12 GLN CA C 13 56.363 0.400 . 1 . . . . A 12 GLN CA . 34797 1 98 . 1 . 1 12 12 GLN CB C 13 29.224 0.400 . 1 . . . . A 12 GLN CB . 34797 1 99 . 1 . 1 12 12 GLN CG C 13 34.129 0.400 . 1 . . . . A 12 GLN CG . 34797 1 100 . 1 . 1 13 13 VAL H H 1 7.777 0.020 . 1 . . . . A 13 VAL H . 34797 1 101 . 1 . 1 13 13 VAL HA H 1 4.479 0.020 . 1 . . . . A 13 VAL HA . 34797 1 102 . 1 . 1 13 13 VAL HB H 1 2.466 0.020 . 1 . . . . A 13 VAL HB . 34797 1 103 . 1 . 1 13 13 VAL HG11 H 1 1.170 0.020 . 2 . . . . A 13 VAL HG11 . 34797 1 104 . 1 . 1 13 13 VAL HG12 H 1 1.170 0.020 . 2 . . . . A 13 VAL HG12 . 34797 1 105 . 1 . 1 13 13 VAL HG13 H 1 1.170 0.020 . 2 . . . . A 13 VAL HG13 . 34797 1 106 . 1 . 1 13 13 VAL HG21 H 1 1.203 0.020 . 2 . . . . A 13 VAL HG21 . 34797 1 107 . 1 . 1 13 13 VAL HG22 H 1 1.203 0.020 . 2 . . . . A 13 VAL HG22 . 34797 1 108 . 1 . 1 13 13 VAL HG23 H 1 1.203 0.020 . 2 . . . . A 13 VAL HG23 . 34797 1 109 . 1 . 1 13 13 VAL CA C 13 60.503 0.400 . 1 . . . . A 13 VAL CA . 34797 1 110 . 1 . 1 13 13 VAL CB C 13 32.425 0.400 . 1 . . . . A 13 VAL CB . 34797 1 111 . 1 . 1 13 13 VAL CG1 C 13 21.469 0.400 . 2 . . . . A 13 VAL CG1 . 34797 1 112 . 1 . 1 13 13 VAL CG2 C 13 21.656 0.400 . 2 . . . . A 13 VAL CG2 . 34797 1 113 . 1 . 1 14 14 HYP CA C 13 55.489 0.400 . 1 . . . . A 14 HYP CA . 34797 1 114 . 1 . 1 14 14 HYP CB C 13 40.038 0.400 . 1 . . . . A 14 HYP CB . 34797 1 115 . 1 . 1 14 14 HYP CD C 13 59.544 0.400 . 1 . . . . A 14 HYP CD . 34797 1 116 . 1 . 1 14 14 HYP HA H 1 4.431 0.020 . 1 . . . . A 14 HYP HA . 34797 1 117 . 1 . 1 14 14 HYP HB2 H 1 2.327 0.020 . 2 . . . . A 14 HYP HB2 . 34797 1 118 . 1 . 1 14 14 HYP HB3 H 1 2.466 0.020 . 2 . . . . A 14 HYP HB3 . 34797 1 119 . 1 . 1 14 14 HYP HD22 H 1 4.182 0.020 . 2 . . . . A 14 HYP HD22 . 34797 1 120 . 1 . 1 14 14 HYP HD23 H 1 4.182 0.020 . 2 . . . . A 14 HYP HD23 . 34797 1 121 . 1 . 1 14 14 HYP HG H 1 4.781 0.020 . 1 . . . . A 14 HYP HG . 34797 1 122 . 1 . 1 15 15 SER H H 1 8.293 0.020 . 1 . . . . A 15 SER H . 34797 1 123 . 1 . 1 15 15 SER HA H 1 4.348 0.020 . 1 . . . . A 15 SER HA . 34797 1 124 . 1 . 1 15 15 SER HB2 H 1 4.051 0.020 . 2 . . . . A 15 SER HB2 . 34797 1 125 . 1 . 1 15 15 SER HB3 H 1 3.981 0.020 . 2 . . . . A 15 SER HB3 . 34797 1 126 . 1 . 1 15 15 SER CA C 13 61.037 0.400 . 1 . . . . A 15 SER CA . 34797 1 127 . 1 . 1 15 15 SER CB C 13 62.739 0.400 . 1 . . . . A 15 SER CB . 34797 1 128 . 1 . 1 16 16 CYS H H 1 8.294 0.020 . 1 . . . . A 16 CYS H . 34797 1 129 . 1 . 1 16 16 CYS HA H 1 5.067 0.020 . 1 . . . . A 16 CYS HA . 34797 1 130 . 1 . 1 16 16 CYS HB2 H 1 3.360 0.020 . 2 . . . . A 16 CYS HB2 . 34797 1 131 . 1 . 1 16 16 CYS HB3 H 1 3.606 0.020 . 2 . . . . A 16 CYS HB3 . 34797 1 132 . 1 . 1 16 16 CYS CB C 13 39.394 0.400 . 1 . . . . A 16 CYS CB . 34797 1 133 . 1 . 1 17 17 LYS H H 1 7.660 0.020 . 1 . . . . A 17 LYS H . 34797 1 134 . 1 . 1 17 17 LYS HA H 1 4.069 0.020 . 1 . . . . A 17 LYS HA . 34797 1 135 . 1 . 1 17 17 LYS HB2 H 1 1.987 0.020 . 2 . . . . A 17 LYS HB2 . 34797 1 136 . 1 . 1 17 17 LYS HB3 H 1 1.949 0.020 . 2 . . . . A 17 LYS HB3 . 34797 1 137 . 1 . 1 17 17 LYS HG2 H 1 1.655 0.020 . 2 . . . . A 17 LYS HG2 . 34797 1 138 . 1 . 1 17 17 LYS HG3 H 1 1.608 0.020 . 2 . . . . A 17 LYS HG3 . 34797 1 139 . 1 . 1 17 17 LYS HD2 H 1 1.781 0.020 . 2 . . . . A 17 LYS HD2 . 34797 1 140 . 1 . 1 17 17 LYS HD3 H 1 1.781 0.020 . 2 . . . . A 17 LYS HD3 . 34797 1 141 . 1 . 1 17 17 LYS HE2 H 1 2.984 0.020 . 2 . . . . A 17 LYS HE2 . 34797 1 142 . 1 . 1 17 17 LYS HE3 H 1 2.984 0.020 . 2 . . . . A 17 LYS HE3 . 34797 1 143 . 1 . 1 17 17 LYS CA C 13 60.235 0.400 . 1 . . . . A 17 LYS CA . 34797 1 144 . 1 . 1 17 17 LYS CB C 13 32.963 0.400 . 1 . . . . A 17 LYS CB . 34797 1 145 . 1 . 1 17 17 LYS CG C 13 25.927 0.400 . 1 . . . . A 17 LYS CG . 34797 1 146 . 1 . 1 17 17 LYS CD C 13 29.435 0.400 . 1 . . . . A 17 LYS CD . 34797 1 147 . 1 . 1 17 17 LYS CE C 13 42.531 0.400 . 1 . . . . A 17 LYS CE . 34797 1 148 . 1 . 1 18 18 ARG H H 1 8.325 0.020 . 1 . . . . A 18 ARG H . 34797 1 149 . 1 . 1 18 18 ARG HA H 1 4.435 0.020 . 1 . . . . A 18 ARG HA . 34797 1 150 . 1 . 1 18 18 ARG HB2 H 1 1.791 0.020 . 2 . . . . A 18 ARG HB2 . 34797 1 151 . 1 . 1 18 18 ARG HB3 H 1 2.138 0.020 . 2 . . . . A 18 ARG HB3 . 34797 1 152 . 1 . 1 18 18 ARG HG2 H 1 1.717 0.020 . 2 . . . . A 18 ARG HG2 . 34797 1 153 . 1 . 1 18 18 ARG HG3 H 1 1.659 0.020 . 2 . . . . A 18 ARG HG3 . 34797 1 154 . 1 . 1 18 18 ARG HD2 H 1 3.261 0.020 . 2 . . . . A 18 ARG HD2 . 34797 1 155 . 1 . 1 18 18 ARG HD3 H 1 3.261 0.020 . 2 . . . . A 18 ARG HD3 . 34797 1 156 . 1 . 1 18 18 ARG HE H 1 7.282 0.020 . 1 . . . . A 18 ARG HE . 34797 1 157 . 1 . 1 18 18 ARG CB C 13 29.509 0.400 . 1 . . . . A 18 ARG CB . 34797 1 158 . 1 . 1 18 18 ARG CG C 13 27.458 0.400 . 1 . . . . A 18 ARG CG . 34797 1 159 . 1 . 1 18 18 ARG CD C 13 43.345 0.400 . 1 . . . . A 18 ARG CD . 34797 1 160 . 1 . 1 19 19 ASN H H 1 7.896 0.020 . 1 . . . . A 19 ASN H . 34797 1 161 . 1 . 1 19 19 ASN HA H 1 4.847 0.020 . 1 . . . . A 19 ASN HA . 34797 1 162 . 1 . 1 19 19 ASN HB2 H 1 2.934 0.020 . 1 . . . . A 19 ASN HB2 . 34797 1 163 . 1 . 1 19 19 ASN HB3 H 1 2.735 0.020 . 1 . . . . A 19 ASN HB3 . 34797 1 164 . 1 . 1 19 19 ASN HD21 H 1 8.050 0.020 . 2 . . . . A 19 ASN HD21 . 34797 1 165 . 1 . 1 19 19 ASN HD22 H 1 7.170 0.020 . 2 . . . . A 19 ASN HD22 . 34797 1 166 . 1 . 1 19 19 ASN CA C 13 65.334 0.400 . 1 . . . . A 19 ASN CA . 34797 1 167 . 1 . 1 19 19 ASN CB C 13 41.198 0.400 . 1 . . . . A 19 ASN CB . 34797 1 168 . 1 . 1 20 20 HYP CB C 13 40.359 0.400 . 1 . . . . A 20 HYP CB . 34797 1 169 . 1 . 1 20 20 HYP CD C 13 59.445 0.400 . 1 . . . . A 20 HYP CD . 34797 1 170 . 1 . 1 20 20 HYP CG C 13 72.610 0.400 . 1 . . . . A 20 HYP CG . 34797 1 171 . 1 . 1 20 20 HYP HA H 1 4.659 0.020 . 1 . . . . A 20 HYP HA . 34797 1 172 . 1 . 1 20 20 HYP HB2 H 1 2.234 0.020 . 2 . . . . A 20 HYP HB2 . 34797 1 173 . 1 . 1 20 20 HYP HB3 H 1 2.524 0.020 . 2 . . . . A 20 HYP HB3 . 34797 1 174 . 1 . 1 20 20 HYP HD22 H 1 3.918 0.020 . 2 . . . . A 20 HYP HD22 . 34797 1 175 . 1 . 1 20 20 HYP HD23 H 1 4.051 0.020 . 2 . . . . A 20 HYP HD23 . 34797 1 176 . 1 . 1 20 20 HYP HG H 1 4.703 0.020 . 1 . . . . A 20 HYP HG . 34797 1 177 . 1 . 1 21 21 CYS H H 1 9.102 0.020 . 1 . . . . A 21 CYS H . 34797 1 178 . 1 . 1 21 21 CYS HA H 1 4.448 0.020 . 1 . . . . A 21 CYS HA . 34797 1 179 . 1 . 1 21 21 CYS HB2 H 1 3.583 0.020 . 1 . . . . A 21 CYS HB2 . 34797 1 180 . 1 . 1 21 21 CYS HB3 H 1 3.161 0.020 . 1 . . . . A 21 CYS HB3 . 34797 1 181 . 1 . 1 21 21 CYS CA C 13 57.789 0.400 . 1 . . . . A 21 CYS CA . 34797 1 182 . 1 . 1 22 22 CYS H H 1 8.471 0.020 . 1 . . . . A 22 CYS H . 34797 1 183 . 1 . 1 22 22 CYS HA H 1 5.054 0.020 . 1 . . . . A 22 CYS HA . 34797 1 184 . 1 . 1 22 22 CYS HB2 H 1 2.960 0.020 . 2 . . . . A 22 CYS HB2 . 34797 1 185 . 1 . 1 22 22 CYS HB3 H 1 3.460 0.020 . 2 . . . . A 22 CYS HB3 . 34797 1 186 . 1 . 1 22 22 CYS CB C 13 39.504 0.400 . 1 . . . . A 22 CYS CB . 34797 1 187 . 1 . 1 23 23 ASN H H 1 7.611 0.020 . 1 . . . . A 23 ASN H . 34797 1 188 . 1 . 1 23 23 ASN HA H 1 4.655 0.020 . 1 . . . . A 23 ASN HA . 34797 1 189 . 1 . 1 23 23 ASN HB2 H 1 2.578 0.020 . 2 . . . . A 23 ASN HB2 . 34797 1 190 . 1 . 1 23 23 ASN HB3 H 1 2.845 0.020 . 2 . . . . A 23 ASN HB3 . 34797 1 191 . 1 . 1 23 23 ASN HD21 H 1 7.164 0.020 . 2 . . . . A 23 ASN HD21 . 34797 1 192 . 1 . 1 23 23 ASN HD22 H 1 6.983 0.020 . 2 . . . . A 23 ASN HD22 . 34797 1 193 . 1 . 1 23 23 ASN CB C 13 42.254 0.400 . 1 . . . . A 23 ASN CB . 34797 1 stop_ save_