################################### # 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 34706 _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 NOESY . . . 34706 1 2 '2D 1H-1H TOCSY' . . . 34706 1 3 '2D 1H-15N HSQC' . . . 34706 1 4 '2D 1H-13C HSQC' . . . 34706 1 5 '2D 1H-13C-HSQC-TOCSY' . . . 34706 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 ARG HA H 1 4.082 0.000 . 1 . . . . A 1 ARG HA . 34706 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.960 0.000 . 2 . . . . A 1 ARG HB2 . 34706 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.960 0.000 . 2 . . . . A 1 ARG HB3 . 34706 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.713 0.000 . 2 . . . . A 1 ARG HG2 . 34706 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.713 0.000 . 2 . . . . A 1 ARG HG3 . 34706 1 6 . 1 . 1 1 1 ARG HD2 H 1 3.202 0.000 . 2 . . . . A 1 ARG HD2 . 34706 1 7 . 1 . 1 1 1 ARG HD3 H 1 3.202 0.000 . 2 . . . . A 1 ARG HD3 . 34706 1 8 . 1 . 1 1 1 ARG HE H 1 7.441 0.000 . 1 . . . . A 1 ARG HE . 34706 1 9 . 1 . 1 1 1 ARG CA C 13 55.362 0.000 . 1 . . . . A 1 ARG CA . 34706 1 10 . 1 . 1 1 1 ARG CB C 13 30.976 0.000 . 1 . . . . A 1 ARG CB . 34706 1 11 . 1 . 1 1 1 ARG CG C 13 26.384 0.000 . 1 . . . . A 1 ARG CG . 34706 1 12 . 1 . 1 1 1 ARG CD C 13 43.305 0.000 . 1 . . . . A 1 ARG CD . 34706 1 13 . 1 . 1 1 1 ARG NE N 15 84.017 0.000 . 1 . . . . A 1 ARG NE . 34706 1 14 . 1 . 1 2 2 ALA H H 1 8.882 0.000 . 1 . . . . A 2 ALA H . 34706 1 15 . 1 . 1 2 2 ALA HA H 1 4.466 0.000 . 1 . . . . A 2 ALA HA . 34706 1 16 . 1 . 1 2 2 ALA HB1 H 1 1.441 0.000 . 1 . . . . A 2 ALA HB1 . 34706 1 17 . 1 . 1 2 2 ALA HB2 H 1 1.441 0.000 . 1 . . . . A 2 ALA HB2 . 34706 1 18 . 1 . 1 2 2 ALA HB3 H 1 1.441 0.000 . 1 . . . . A 2 ALA HB3 . 34706 1 19 . 1 . 1 2 2 ALA CA C 13 52.581 0.000 . 1 . . . . A 2 ALA CA . 34706 1 20 . 1 . 1 2 2 ALA CB C 13 19.511 0.000 . 1 . . . . A 2 ALA CB . 34706 1 21 . 1 . 1 2 2 ALA N N 15 126.882 0.000 . 1 . . . . A 2 ALA N . 34706 1 22 . 1 . 1 3 3 VAL H H 1 8.453 0.000 . 1 . . . . A 3 VAL H . 34706 1 23 . 1 . 1 3 3 VAL HA H 1 4.069 0.000 . 1 . . . . A 3 VAL HA . 34706 1 24 . 1 . 1 3 3 VAL HB H 1 2.088 0.000 . 1 . . . . A 3 VAL HB . 34706 1 25 . 1 . 1 3 3 VAL HG11 H 1 0.973 0.000 . 1 . . . . A 3 VAL HG11 . 34706 1 26 . 1 . 1 3 3 VAL HG12 H 1 0.973 0.000 . 1 . . . . A 3 VAL HG12 . 34706 1 27 . 1 . 1 3 3 VAL HG13 H 1 0.973 0.000 . 1 . . . . A 3 VAL HG13 . 34706 1 28 . 1 . 1 3 3 VAL HG21 H 1 0.890 0.000 . 1 . . . . A 3 VAL HG21 . 34706 1 29 . 1 . 1 3 3 VAL HG22 H 1 0.890 0.000 . 1 . . . . A 3 VAL HG22 . 34706 1 30 . 1 . 1 3 3 VAL HG23 H 1 0.890 0.000 . 1 . . . . A 3 VAL HG23 . 34706 1 31 . 1 . 1 3 3 VAL CA C 13 62.955 0.000 . 1 . . . . A 3 VAL CA . 34706 1 32 . 1 . 1 3 3 VAL CB C 13 32.672 0.000 . 1 . . . . A 3 VAL CB . 34706 1 33 . 1 . 1 3 3 VAL CG1 C 13 21.033 0.000 . 1 . . . . A 3 VAL CG1 . 34706 1 34 . 1 . 1 3 3 VAL CG2 C 13 21.339 0.000 . 1 . . . . A 3 VAL CG2 . 34706 1 35 . 1 . 1 3 3 VAL N N 15 119.770 0.000 . 1 . . . . A 3 VAL N . 34706 1 36 . 1 . 1 4 4 ILE H H 1 8.044 0.000 . 1 . . . . A 4 ILE H . 34706 1 37 . 1 . 1 4 4 ILE HA H 1 4.067 0.000 . 1 . . . . A 4 ILE HA . 34706 1 38 . 1 . 1 4 4 ILE HB H 1 1.858 0.000 . 1 . . . . A 4 ILE HB . 34706 1 39 . 1 . 1 4 4 ILE HG12 H 1 1.333 0.000 . 2 . . . . A 4 ILE HG12 . 34706 1 40 . 1 . 1 4 4 ILE HG13 H 1 1.142 0.000 . 2 . . . . A 4 ILE HG13 . 34706 1 41 . 1 . 1 4 4 ILE HG21 H 1 0.827 0.000 . 1 . . . . A 4 ILE HG21 . 34706 1 42 . 1 . 1 4 4 ILE HG22 H 1 0.827 0.000 . 1 . . . . A 4 ILE HG22 . 34706 1 43 . 1 . 1 4 4 ILE HG23 H 1 0.827 0.000 . 1 . . . . A 4 ILE HG23 . 34706 1 44 . 1 . 1 4 4 ILE HD11 H 1 0.836 0.000 . 1 . . . . A 4 ILE HD11 . 34706 1 45 . 1 . 1 4 4 ILE HD12 H 1 0.836 0.000 . 1 . . . . A 4 ILE HD12 . 34706 1 46 . 1 . 1 4 4 ILE HD13 H 1 0.836 0.000 . 1 . . . . A 4 ILE HD13 . 34706 1 47 . 1 . 1 4 4 ILE CA C 13 61.906 0.000 . 1 . . . . A 4 ILE CA . 34706 1 48 . 1 . 1 4 4 ILE CB C 13 38.510 0.000 . 1 . . . . A 4 ILE CB . 34706 1 49 . 1 . 1 4 4 ILE CG1 C 13 27.446 0.000 . 1 . . . . A 4 ILE CG1 . 34706 1 50 . 1 . 1 4 4 ILE CG2 C 13 17.815 0.000 . 1 . . . . A 4 ILE CG2 . 34706 1 51 . 1 . 1 4 4 ILE CD1 C 13 13.378 0.000 . 1 . . . . A 4 ILE CD1 . 34706 1 52 . 1 . 1 4 4 ILE N N 15 121.069 0.000 . 1 . . . . A 4 ILE N . 34706 1 53 . 1 . 1 5 5 TYR H H 1 7.660 0.000 . 1 . . . . A 5 TYR H . 34706 1 54 . 1 . 1 5 5 TYR HA H 1 4.541 0.000 . 1 . . . . A 5 TYR HA . 34706 1 55 . 1 . 1 5 5 TYR HB2 H 1 3.080 0.000 . 2 . . . . A 5 TYR HB2 . 34706 1 56 . 1 . 1 5 5 TYR HB3 H 1 2.916 0.000 . 2 . . . . A 5 TYR HB3 . 34706 1 57 . 1 . 1 5 5 TYR HD1 H 1 7.112 0.000 . 1 . . . . A 5 TYR HD1 . 34706 1 58 . 1 . 1 5 5 TYR HD2 H 1 7.112 0.000 . 1 . . . . A 5 TYR HD2 . 34706 1 59 . 1 . 1 5 5 TYR HE1 H 1 6.826 0.000 . 1 . . . . A 5 TYR HE1 . 34706 1 60 . 1 . 1 5 5 TYR HE2 H 1 6.826 0.000 . 1 . . . . A 5 TYR HE2 . 34706 1 61 . 1 . 1 5 5 TYR CA C 13 58.175 0.000 . 1 . . . . A 5 TYR CA . 34706 1 62 . 1 . 1 5 5 TYR CB C 13 38.795 0.000 . 1 . . . . A 5 TYR CB . 34706 1 63 . 1 . 1 5 5 TYR CD1 C 13 132.860 0.000 . 1 . . . . A 5 TYR CD1 . 34706 1 64 . 1 . 1 5 5 TYR CE1 C 13 118.374 0.000 . 1 . . . . A 5 TYR CE1 . 34706 1 65 . 1 . 1 5 5 TYR N N 15 119.823 0.000 . 1 . . . . A 5 TYR N . 34706 1 66 . 1 . 1 6 6 LYS H H 1 7.946 0.000 . 1 . . . . A 6 LYS H . 34706 1 67 . 1 . 1 6 6 LYS HA H 1 4.321 0.000 . 1 . . . . A 6 LYS HA . 34706 1 68 . 1 . 1 6 6 LYS HB2 H 1 1.869 0.000 . 2 . . . . A 6 LYS HB2 . 34706 1 69 . 1 . 1 6 6 LYS HB3 H 1 1.756 0.000 . 2 . . . . A 6 LYS HB3 . 34706 1 70 . 1 . 1 6 6 LYS HG2 H 1 1.403 0.000 . 2 . . . . A 6 LYS HG2 . 34706 1 71 . 1 . 1 6 6 LYS HG3 H 1 1.349 0.000 . 2 . . . . A 6 LYS HG3 . 34706 1 72 . 1 . 1 6 6 LYS HD2 H 1 1.702 0.000 . 2 . . . . A 6 LYS HD2 . 34706 1 73 . 1 . 1 6 6 LYS HD3 H 1 1.702 0.000 . 2 . . . . A 6 LYS HD3 . 34706 1 74 . 1 . 1 6 6 LYS HE2 H 1 2.985 0.000 . 2 . . . . A 6 LYS HE2 . 34706 1 75 . 1 . 1 6 6 LYS HE3 H 1 2.985 0.000 . 2 . . . . A 6 LYS HE3 . 34706 1 76 . 1 . 1 6 6 LYS CA C 13 56.215 0.000 . 1 . . . . A 6 LYS CA . 34706 1 77 . 1 . 1 6 6 LYS CB C 13 31.664 0.000 . 1 . . . . A 6 LYS CB . 34706 1 78 . 1 . 1 6 6 LYS CG C 13 25.042 0.000 . 1 . . . . A 6 LYS CG . 34706 1 79 . 1 . 1 6 6 LYS CD C 13 29.218 0.000 . 1 . . . . A 6 LYS CD . 34706 1 80 . 1 . 1 6 6 LYS CE C 13 42.157 0.000 . 1 . . . . A 6 LYS CE . 34706 1 81 . 1 . 1 6 6 LYS N N 15 120.194 0.000 . 1 . . . . A 6 LYS N . 34706 1 82 . 1 . 1 7 7 ILE H H 1 8.023 0.000 . 1 . . . . A 7 ILE H . 34706 1 83 . 1 . 1 7 7 ILE HA H 1 4.180 0.000 . 1 . . . . A 7 ILE HA . 34706 1 84 . 1 . 1 7 7 ILE HB H 1 1.882 0.000 . 1 . . . . A 7 ILE HB . 34706 1 85 . 1 . 1 7 7 ILE HG12 H 1 1.708 0.000 . 2 . . . . A 7 ILE HG12 . 34706 1 86 . 1 . 1 7 7 ILE HG13 H 1 1.178 0.000 . 2 . . . . A 7 ILE HG13 . 34706 1 87 . 1 . 1 7 7 ILE HG21 H 1 0.762 0.000 . 1 . . . . A 7 ILE HG21 . 34706 1 88 . 1 . 1 7 7 ILE HG22 H 1 0.762 0.000 . 1 . . . . A 7 ILE HG22 . 34706 1 89 . 1 . 1 7 7 ILE HG23 H 1 0.762 0.000 . 1 . . . . A 7 ILE HG23 . 34706 1 90 . 1 . 1 7 7 ILE HD11 H 1 0.932 0.000 . 1 . . . . A 7 ILE HD11 . 34706 1 91 . 1 . 1 7 7 ILE HD12 H 1 0.932 0.000 . 1 . . . . A 7 ILE HD12 . 34706 1 92 . 1 . 1 7 7 ILE HD13 H 1 0.932 0.000 . 1 . . . . A 7 ILE HD13 . 34706 1 93 . 1 . 1 7 7 ILE CA C 13 60.670 0.000 . 1 . . . . A 7 ILE CA . 34706 1 94 . 1 . 1 7 7 ILE CB C 13 38.682 0.000 . 1 . . . . A 7 ILE CB . 34706 1 95 . 1 . 1 7 7 ILE CG1 C 13 28.218 0.000 . 1 . . . . A 7 ILE CG1 . 34706 1 96 . 1 . 1 7 7 ILE CG2 C 13 17.046 0.000 . 1 . . . . A 7 ILE CG2 . 34706 1 97 . 1 . 1 7 7 ILE CD1 C 13 13.098 0.000 . 1 . . . . A 7 ILE CD1 . 34706 1 98 . 1 . 1 7 7 ILE N N 15 121.536 0.000 . 1 . . . . A 7 ILE N . 34706 1 99 . 1 . 1 8 8 PRO HA H 1 4.730 0.000 . 1 . . . . A 8 PRO HA . 34706 1 100 . 1 . 1 8 8 PRO HB2 H 1 2.079 0.000 . 2 . . . . A 8 PRO HB2 . 34706 1 101 . 1 . 1 8 8 PRO HB3 H 1 2.266 0.000 . 2 . . . . A 8 PRO HB3 . 34706 1 102 . 1 . 1 8 8 PRO HG2 H 1 2.087 0.000 . 2 . . . . A 8 PRO HG2 . 34706 1 103 . 1 . 1 8 8 PRO HD2 H 1 3.589 0.000 . 1 . . . . A 8 PRO HD2 . 34706 1 104 . 1 . 1 8 8 PRO HD3 H 1 3.915 0.000 . 1 . . . . A 8 PRO HD3 . 34706 1 105 . 1 . 1 8 8 PRO CB C 13 29.585 0.000 . 1 . . . . A 8 PRO CB . 34706 1 106 . 1 . 1 8 8 PRO CG C 13 27.682 0.000 . 1 . . . . A 8 PRO CG . 34706 1 107 . 1 . 1 8 8 PRO CD C 13 50.597 0.000 . 1 . . . . A 8 PRO CD . 34706 1 108 . 1 . 1 9 9 TYR H H 1 8.103 0.000 . 1 . . . . A 9 TYR H . 34706 1 109 . 1 . 1 9 9 TYR HA H 1 4.080 0.000 . 1 . . . . A 9 TYR HA . 34706 1 110 . 1 . 1 9 9 TYR HB2 H 1 3.035 0.000 . 2 . . . . A 9 TYR HB2 . 34706 1 111 . 1 . 1 9 9 TYR HB3 H 1 3.035 0.000 . 2 . . . . A 9 TYR HB3 . 34706 1 112 . 1 . 1 9 9 TYR HD1 H 1 7.070 0.000 . 1 . . . . A 9 TYR HD1 . 34706 1 113 . 1 . 1 9 9 TYR HD2 H 1 7.070 0.000 . 1 . . . . A 9 TYR HD2 . 34706 1 114 . 1 . 1 9 9 TYR HE1 H 1 6.846 0.000 . 1 . . . . A 9 TYR HE1 . 34706 1 115 . 1 . 1 9 9 TYR HE2 H 1 6.846 0.000 . 1 . . . . A 9 TYR HE2 . 34706 1 116 . 1 . 1 9 9 TYR CA C 13 61.505 0.000 . 1 . . . . A 9 TYR CA . 34706 1 117 . 1 . 1 9 9 TYR CB C 13 38.748 0.000 . 1 . . . . A 9 TYR CB . 34706 1 118 . 1 . 1 9 9 TYR CD1 C 13 133.014 0.000 . 1 . . . . A 9 TYR CD1 . 34706 1 119 . 1 . 1 9 9 TYR CE1 C 13 118.513 0.000 . 1 . . . . A 9 TYR CE1 . 34706 1 120 . 1 . 1 10 10 ASN H H 1 8.597 0.000 . 1 . . . . A 10 ASN H . 34706 1 121 . 1 . 1 10 10 ASN HA H 1 4.397 0.000 . 1 . . . . A 10 ASN HA . 34706 1 122 . 1 . 1 10 10 ASN HB2 H 1 2.835 0.000 . 2 . . . . A 10 ASN HB2 . 34706 1 123 . 1 . 1 10 10 ASN HB3 H 1 2.799 0.000 . 2 . . . . A 10 ASN HB3 . 34706 1 124 . 1 . 1 10 10 ASN HD21 H 1 7.719 0.000 . 2 . . . . A 10 ASN HD21 . 34706 1 125 . 1 . 1 10 10 ASN HD22 H 1 6.936 0.000 . 2 . . . . A 10 ASN HD22 . 34706 1 126 . 1 . 1 10 10 ASN CA C 13 56.020 0.000 . 1 . . . . A 10 ASN CA . 34706 1 127 . 1 . 1 10 10 ASN CB C 13 38.004 0.000 . 1 . . . . A 10 ASN CB . 34706 1 128 . 1 . 1 10 10 ASN N N 15 117.087 0.000 . 1 . . . . A 10 ASN N . 34706 1 129 . 1 . 1 10 10 ASN ND2 N 15 112.340 0.000 . 1 . . . . A 10 ASN ND2 . 34706 1 130 . 1 . 1 11 11 ALA H H 1 7.993 0.000 . 1 . . . . A 11 ALA H . 34706 1 131 . 1 . 1 11 11 ALA HA H 1 4.201 0.000 . 1 . . . . A 11 ALA HA . 34706 1 132 . 1 . 1 11 11 ALA HB1 H 1 1.532 0.000 . 1 . . . . A 11 ALA HB1 . 34706 1 133 . 1 . 1 11 11 ALA HB2 H 1 1.532 0.000 . 1 . . . . A 11 ALA HB2 . 34706 1 134 . 1 . 1 11 11 ALA HB3 H 1 1.532 0.000 . 1 . . . . A 11 ALA HB3 . 34706 1 135 . 1 . 1 11 11 ALA CA C 13 54.549 0.000 . 1 . . . . A 11 ALA CA . 34706 1 136 . 1 . 1 11 11 ALA CB C 13 18.772 0.000 . 1 . . . . A 11 ALA CB . 34706 1 137 . 1 . 1 11 11 ALA N N 15 122.709 0.000 . 1 . . . . A 11 ALA N . 34706 1 138 . 1 . 1 12 12 ILE H H 1 7.674 0.000 . 1 . . . . A 12 ILE H . 34706 1 139 . 1 . 1 12 12 ILE HA H 1 3.874 0.000 . 1 . . . . A 12 ILE HA . 34706 1 140 . 1 . 1 12 12 ILE HB H 1 1.929 0.000 . 1 . . . . A 12 ILE HB . 34706 1 141 . 1 . 1 12 12 ILE HG12 H 1 1.742 0.000 . 2 . . . . A 12 ILE HG12 . 34706 1 142 . 1 . 1 12 12 ILE HG13 H 1 1.153 0.000 . 2 . . . . A 12 ILE HG13 . 34706 1 143 . 1 . 1 12 12 ILE HG21 H 1 0.953 0.000 . 1 . . . . A 12 ILE HG21 . 34706 1 144 . 1 . 1 12 12 ILE HG22 H 1 0.953 0.000 . 1 . . . . A 12 ILE HG22 . 34706 1 145 . 1 . 1 12 12 ILE HG23 H 1 0.953 0.000 . 1 . . . . A 12 ILE HG23 . 34706 1 146 . 1 . 1 12 12 ILE HD11 H 1 0.847 0.000 . 1 . . . . A 12 ILE HD11 . 34706 1 147 . 1 . 1 12 12 ILE HD12 H 1 0.847 0.000 . 1 . . . . A 12 ILE HD12 . 34706 1 148 . 1 . 1 12 12 ILE HD13 H 1 0.847 0.000 . 1 . . . . A 12 ILE HD13 . 34706 1 149 . 1 . 1 12 12 ILE CA C 13 63.908 0.000 . 1 . . . . A 12 ILE CA . 34706 1 150 . 1 . 1 12 12 ILE CB C 13 38.516 0.000 . 1 . . . . A 12 ILE CB . 34706 1 151 . 1 . 1 12 12 ILE CG1 C 13 28.748 0.000 . 1 . . . . A 12 ILE CG1 . 34706 1 152 . 1 . 1 12 12 ILE CG2 C 13 17.899 0.000 . 1 . . . . A 12 ILE CG2 . 34706 1 153 . 1 . 1 12 12 ILE CD1 C 13 13.631 0.000 . 1 . . . . A 12 ILE CD1 . 34706 1 154 . 1 . 1 12 12 ILE N N 15 116.519 0.000 . 1 . . . . A 12 ILE N . 34706 1 155 . 1 . 1 13 13 ALA H H 1 8.316 0.000 . 1 . . . . A 13 ALA H . 34706 1 156 . 1 . 1 13 13 ALA HA H 1 4.069 0.000 . 1 . . . . A 13 ALA HA . 34706 1 157 . 1 . 1 13 13 ALA HB1 H 1 1.400 0.000 . 1 . . . . A 13 ALA HB1 . 34706 1 158 . 1 . 1 13 13 ALA HB2 H 1 1.400 0.000 . 1 . . . . A 13 ALA HB2 . 34706 1 159 . 1 . 1 13 13 ALA HB3 H 1 1.400 0.000 . 1 . . . . A 13 ALA HB3 . 34706 1 160 . 1 . 1 13 13 ALA CA C 13 54.756 0.000 . 1 . . . . A 13 ALA CA . 34706 1 161 . 1 . 1 13 13 ALA CB C 13 18.535 0.000 . 1 . . . . A 13 ALA CB . 34706 1 162 . 1 . 1 13 13 ALA N N 15 121.356 0.000 . 1 . . . . A 13 ALA N . 34706 1 163 . 1 . 1 14 14 SER H H 1 7.992 0.000 . 1 . . . . A 14 SER H . 34706 1 164 . 1 . 1 14 14 SER HA H 1 4.271 0.000 . 1 . . . . A 14 SER HA . 34706 1 165 . 1 . 1 14 14 SER HB2 H 1 3.990 0.000 . 2 . . . . A 14 SER HB2 . 34706 1 166 . 1 . 1 14 14 SER HB3 H 1 3.990 0.000 . 2 . . . . A 14 SER HB3 . 34706 1 167 . 1 . 1 14 14 SER CA C 13 60.788 0.000 . 1 . . . . A 14 SER CA . 34706 1 168 . 1 . 1 14 14 SER CB C 13 63.420 0.000 . 1 . . . . A 14 SER CB . 34706 1 169 . 1 . 1 14 14 SER N N 15 111.106 0.000 . 1 . . . . A 14 SER N . 34706 1 170 . 1 . 1 15 15 ARG H H 1 7.618 0.000 . 1 . . . . A 15 ARG H . 34706 1 171 . 1 . 1 15 15 ARG HA H 1 4.218 0.000 . 1 . . . . A 15 ARG HA . 34706 1 172 . 1 . 1 15 15 ARG HB2 H 1 1.674 0.000 . 2 . . . . A 15 ARG HB2 . 34706 1 173 . 1 . 1 15 15 ARG HB3 H 1 1.674 0.000 . 2 . . . . A 15 ARG HB3 . 34706 1 174 . 1 . 1 15 15 ARG HG2 H 1 1.510 0.000 . 2 . . . . A 15 ARG HG2 . 34706 1 175 . 1 . 1 15 15 ARG HG3 H 1 1.372 0.000 . 2 . . . . A 15 ARG HG3 . 34706 1 176 . 1 . 1 15 15 ARG HD2 H 1 3.067 0.000 . 2 . . . . A 15 ARG HD2 . 34706 1 177 . 1 . 1 15 15 ARG HD3 H 1 2.938 0.000 . 2 . . . . A 15 ARG HD3 . 34706 1 178 . 1 . 1 15 15 ARG HE H 1 7.483 0.000 . 1 . . . . A 15 ARG HE . 34706 1 179 . 1 . 1 15 15 ARG CA C 13 57.115 0.000 . 1 . . . . A 15 ARG CA . 34706 1 180 . 1 . 1 15 15 ARG CB C 13 30.394 0.000 . 1 . . . . A 15 ARG CB . 34706 1 181 . 1 . 1 15 15 ARG CG C 13 27.496 0.000 . 1 . . . . A 15 ARG CG . 34706 1 182 . 1 . 1 15 15 ARG CD C 13 43.138 0.000 . 1 . . . . A 15 ARG CD . 34706 1 183 . 1 . 1 15 15 ARG N N 15 119.524 0.000 . 1 . . . . A 15 ARG N . 34706 1 184 . 1 . 1 15 15 ARG NE N 15 84.551 0.000 . 1 . . . . A 15 ARG NE . 34706 1 185 . 1 . 1 16 16 TRP H H 1 7.901 0.000 . 1 . . . . A 16 TRP H . 34706 1 186 . 1 . 1 16 16 TRP HA H 1 4.647 0.000 . 1 . . . . A 16 TRP HA . 34706 1 187 . 1 . 1 16 16 TRP HB2 H 1 3.401 0.000 . 2 . . . . A 16 TRP HB2 . 34706 1 188 . 1 . 1 16 16 TRP HB3 H 1 3.175 0.000 . 2 . . . . A 16 TRP HB3 . 34706 1 189 . 1 . 1 16 16 TRP HD1 H 1 7.291 0.000 . 1 . . . . A 16 TRP HD1 . 34706 1 190 . 1 . 1 16 16 TRP HE1 H 1 10.599 0.000 . 1 . . . . A 16 TRP HE1 . 34706 1 191 . 1 . 1 16 16 TRP HE3 H 1 7.594 0.000 . 1 . . . . A 16 TRP HE3 . 34706 1 192 . 1 . 1 16 16 TRP HZ2 H 1 7.461 0.000 . 1 . . . . A 16 TRP HZ2 . 34706 1 193 . 1 . 1 16 16 TRP HZ3 H 1 7.003 0.000 . 1 . . . . A 16 TRP HZ3 . 34706 1 194 . 1 . 1 16 16 TRP HH2 H 1 7.081 0.000 . 1 . . . . A 16 TRP HH2 . 34706 1 195 . 1 . 1 16 16 TRP CA C 13 58.723 0.000 . 1 . . . . A 16 TRP CA . 34706 1 196 . 1 . 1 16 16 TRP CB C 13 30.472 0.000 . 1 . . . . A 16 TRP CB . 34706 1 197 . 1 . 1 16 16 TRP CD1 C 13 126.777 0.000 . 1 . . . . A 16 TRP CD1 . 34706 1 198 . 1 . 1 16 16 TRP CE3 C 13 120.783 0.000 . 1 . . . . A 16 TRP CE3 . 34706 1 199 . 1 . 1 16 16 TRP CZ2 C 13 114.406 0.000 . 1 . . . . A 16 TRP CZ2 . 34706 1 200 . 1 . 1 16 16 TRP CZ3 C 13 121.329 0.000 . 1 . . . . A 16 TRP CZ3 . 34706 1 201 . 1 . 1 16 16 TRP CH2 C 13 123.724 0.000 . 1 . . . . A 16 TRP CH2 . 34706 1 202 . 1 . 1 16 16 TRP N N 15 118.424 0.000 . 1 . . . . A 16 TRP N . 34706 1 203 . 1 . 1 16 16 TRP NE1 N 15 130.165 0.000 . 1 . . . . A 16 TRP NE1 . 34706 1 204 . 1 . 1 17 17 ILE H H 1 7.672 0.000 . 1 . . . . A 17 ILE H . 34706 1 205 . 1 . 1 17 17 ILE HA H 1 4.163 0.000 . 1 . . . . A 17 ILE HA . 34706 1 206 . 1 . 1 17 17 ILE HB H 1 1.951 0.000 . 1 . . . . A 17 ILE HB . 34706 1 207 . 1 . 1 17 17 ILE HG12 H 1 1.534 0.000 . 2 . . . . A 17 ILE HG12 . 34706 1 208 . 1 . 1 17 17 ILE HG13 H 1 1.191 0.000 . 2 . . . . A 17 ILE HG13 . 34706 1 209 . 1 . 1 17 17 ILE HG21 H 1 0.920 0.000 . 1 . . . . A 17 ILE HG21 . 34706 1 210 . 1 . 1 17 17 ILE HG22 H 1 0.920 0.000 . 1 . . . . A 17 ILE HG22 . 34706 1 211 . 1 . 1 17 17 ILE HG23 H 1 0.920 0.000 . 1 . . . . A 17 ILE HG23 . 34706 1 212 . 1 . 1 17 17 ILE HD11 H 1 0.889 0.000 . 1 . . . . A 17 ILE HD11 . 34706 1 213 . 1 . 1 17 17 ILE HD12 H 1 0.889 0.000 . 1 . . . . A 17 ILE HD12 . 34706 1 214 . 1 . 1 17 17 ILE HD13 H 1 0.889 0.000 . 1 . . . . A 17 ILE HD13 . 34706 1 215 . 1 . 1 17 17 ILE CA C 13 61.661 0.000 . 1 . . . . A 17 ILE CA . 34706 1 216 . 1 . 1 17 17 ILE CB C 13 38.680 0.000 . 1 . . . . A 17 ILE CB . 34706 1 217 . 1 . 1 17 17 ILE CG1 C 13 27.524 0.000 . 1 . . . . A 17 ILE CG1 . 34706 1 218 . 1 . 1 17 17 ILE CG2 C 13 17.761 0.000 . 1 . . . . A 17 ILE CG2 . 34706 1 219 . 1 . 1 17 17 ILE CD1 C 13 13.161 0.000 . 1 . . . . A 17 ILE CD1 . 34706 1 220 . 1 . 1 17 17 ILE N N 15 117.931 0.000 . 1 . . . . A 17 ILE N . 34706 1 221 . 1 . 1 18 18 ILE H H 1 7.880 0.000 . 1 . . . . A 18 ILE H . 34706 1 222 . 1 . 1 18 18 ILE HA H 1 4.174 0.000 . 1 . . . . A 18 ILE HA . 34706 1 223 . 1 . 1 18 18 ILE HB H 1 1.885 0.000 . 1 . . . . A 18 ILE HB . 34706 1 224 . 1 . 1 18 18 ILE HG12 H 1 1.467 0.000 . 2 . . . . A 18 ILE HG12 . 34706 1 225 . 1 . 1 18 18 ILE HG13 H 1 1.178 0.000 . 2 . . . . A 18 ILE HG13 . 34706 1 226 . 1 . 1 18 18 ILE HG21 H 1 0.909 0.000 . 1 . . . . A 18 ILE HG21 . 34706 1 227 . 1 . 1 18 18 ILE HG22 H 1 0.909 0.000 . 1 . . . . A 18 ILE HG22 . 34706 1 228 . 1 . 1 18 18 ILE HG23 H 1 0.909 0.000 . 1 . . . . A 18 ILE HG23 . 34706 1 229 . 1 . 1 18 18 ILE HD11 H 1 0.857 0.000 . 1 . . . . A 18 ILE HD11 . 34706 1 230 . 1 . 1 18 18 ILE HD12 H 1 0.857 0.000 . 1 . . . . A 18 ILE HD12 . 34706 1 231 . 1 . 1 18 18 ILE HD13 H 1 0.857 0.000 . 1 . . . . A 18 ILE HD13 . 34706 1 232 . 1 . 1 18 18 ILE CA C 13 60.660 0.000 . 1 . . . . A 18 ILE CA . 34706 1 233 . 1 . 1 18 18 ILE CB C 13 38.697 0.000 . 1 . . . . A 18 ILE CB . 34706 1 234 . 1 . 1 18 18 ILE CG1 C 13 27.303 0.000 . 1 . . . . A 18 ILE CG1 . 34706 1 235 . 1 . 1 18 18 ILE CG2 C 13 17.712 0.000 . 1 . . . . A 18 ILE CG2 . 34706 1 236 . 1 . 1 18 18 ILE CD1 C 13 13.005 0.000 . 1 . . . . A 18 ILE CD1 . 34706 1 237 . 1 . 1 18 18 ILE N N 15 121.882 0.000 . 1 . . . . A 18 ILE N . 34706 1 238 . 1 . 1 19 19 ALA H H 1 8.269 0.000 . 1 . . . . A 19 ALA H . 34706 1 239 . 1 . 1 19 19 ALA HA H 1 4.585 0.000 . 1 . . . . A 19 ALA HA . 34706 1 240 . 1 . 1 19 19 ALA HB1 H 1 1.365 0.000 . 1 . . . . A 19 ALA HB1 . 34706 1 241 . 1 . 1 19 19 ALA HB2 H 1 1.365 0.000 . 1 . . . . A 19 ALA HB2 . 34706 1 242 . 1 . 1 19 19 ALA HB3 H 1 1.365 0.000 . 1 . . . . A 19 ALA HB3 . 34706 1 243 . 1 . 1 19 19 ALA CA C 13 50.602 0.000 . 1 . . . . A 19 ALA CA . 34706 1 244 . 1 . 1 19 19 ALA CB C 13 18.294 0.000 . 1 . . . . A 19 ALA CB . 34706 1 245 . 1 . 1 19 19 ALA N N 15 128.572 0.000 . 1 . . . . A 19 ALA N . 34706 1 246 . 1 . 1 20 20 PRO HA H 1 4.428 0.000 . 1 . . . . A 20 PRO HA . 34706 1 247 . 1 . 1 20 20 PRO HB2 H 1 2.304 0.000 . 2 . . . . A 20 PRO HB2 . 34706 1 248 . 1 . 1 20 20 PRO HB3 H 1 1.906 0.000 . 2 . . . . A 20 PRO HB3 . 34706 1 249 . 1 . 1 20 20 PRO HG2 H 1 2.023 0.000 . 2 . . . . A 20 PRO HG2 . 34706 1 250 . 1 . 1 20 20 PRO HG3 H 1 2.023 0.000 . 2 . . . . A 20 PRO HG3 . 34706 1 251 . 1 . 1 20 20 PRO HD2 H 1 3.804 0.000 . 2 . . . . A 20 PRO HD2 . 34706 1 252 . 1 . 1 20 20 PRO HD3 H 1 3.650 0.000 . 2 . . . . A 20 PRO HD3 . 34706 1 253 . 1 . 1 20 20 PRO CA C 13 63.064 0.000 . 1 . . . . A 20 PRO CA . 34706 1 254 . 1 . 1 20 20 PRO CB C 13 32.108 0.000 . 1 . . . . A 20 PRO CB . 34706 1 255 . 1 . 1 20 20 PRO CG C 13 27.482 0.000 . 1 . . . . A 20 PRO CG . 34706 1 256 . 1 . 1 20 20 PRO CD C 13 50.472 0.000 . 1 . . . . A 20 PRO CD . 34706 1 257 . 1 . 1 21 21 LYS H H 1 8.359 0.000 . 1 . . . . A 21 LYS H . 34706 1 258 . 1 . 1 21 21 LYS HA H 1 4.286 0.000 . 1 . . . . A 21 LYS HA . 34706 1 259 . 1 . 1 21 21 LYS HB2 H 1 1.832 0.000 . 2 . . . . A 21 LYS HB2 . 34706 1 260 . 1 . 1 21 21 LYS HB3 H 1 1.783 0.000 . 2 . . . . A 21 LYS HB3 . 34706 1 261 . 1 . 1 21 21 LYS HG2 H 1 1.487 0.000 . 2 . . . . A 21 LYS HG2 . 34706 1 262 . 1 . 1 21 21 LYS HG3 H 1 1.443 0.000 . 2 . . . . A 21 LYS HG3 . 34706 1 263 . 1 . 1 21 21 LYS HD2 H 1 1.690 0.000 . 2 . . . . A 21 LYS HD2 . 34706 1 264 . 1 . 1 21 21 LYS HD3 H 1 1.690 0.000 . 2 . . . . A 21 LYS HD3 . 34706 1 265 . 1 . 1 21 21 LYS HE2 H 1 3.014 0.000 . 2 . . . . A 21 LYS HE2 . 34706 1 266 . 1 . 1 21 21 LYS HE3 H 1 3.014 0.000 . 2 . . . . A 21 LYS HE3 . 34706 1 267 . 1 . 1 21 21 LYS CA C 13 56.368 0.000 . 1 . . . . A 21 LYS CA . 34706 1 268 . 1 . 1 21 21 LYS CB C 13 33.222 0.000 . 1 . . . . A 21 LYS CB . 34706 1 269 . 1 . 1 21 21 LYS CG C 13 24.780 0.000 . 1 . . . . A 21 LYS CG . 34706 1 270 . 1 . 1 21 21 LYS CD C 13 29.157 0.000 . 1 . . . . A 21 LYS CD . 34706 1 271 . 1 . 1 21 21 LYS CE C 13 42.178 0.000 . 1 . . . . A 21 LYS CE . 34706 1 272 . 1 . 1 21 21 LYS N N 15 121.128 0.000 . 1 . . . . A 21 LYS N . 34706 1 273 . 1 . 1 22 22 LYS H H 1 8.395 0.000 . 1 . . . . A 22 LYS H . 34706 1 274 . 1 . 1 22 22 LYS HA H 1 4.352 0.000 . 1 . . . . A 22 LYS HA . 34706 1 275 . 1 . 1 22 22 LYS HB2 H 1 1.858 0.000 . 2 . . . . A 22 LYS HB2 . 34706 1 276 . 1 . 1 22 22 LYS HB3 H 1 1.791 0.000 . 2 . . . . A 22 LYS HB3 . 34706 1 277 . 1 . 1 22 22 LYS HG2 H 1 1.468 0.000 . 2 . . . . A 22 LYS HG2 . 34706 1 278 . 1 . 1 22 22 LYS HG3 H 1 1.425 0.000 . 2 . . . . A 22 LYS HG3 . 34706 1 279 . 1 . 1 22 22 LYS HD2 H 1 1.699 0.000 . 2 . . . . A 22 LYS HD2 . 34706 1 280 . 1 . 1 22 22 LYS HD3 H 1 1.699 0.000 . 2 . . . . A 22 LYS HD3 . 34706 1 281 . 1 . 1 22 22 LYS HE2 H 1 3.008 0.000 . 2 . . . . A 22 LYS HE2 . 34706 1 282 . 1 . 1 22 22 LYS HE3 H 1 3.008 0.000 . 2 . . . . A 22 LYS HE3 . 34706 1 283 . 1 . 1 22 22 LYS CA C 13 56.391 0.000 . 1 . . . . A 22 LYS CA . 34706 1 284 . 1 . 1 22 22 LYS CB C 13 33.092 0.000 . 1 . . . . A 22 LYS CB . 34706 1 285 . 1 . 1 22 22 LYS CG C 13 24.735 0.000 . 1 . . . . A 22 LYS CG . 34706 1 286 . 1 . 1 22 22 LYS CD C 13 29.091 0.000 . 1 . . . . A 22 LYS CD . 34706 1 287 . 1 . 1 22 22 LYS CE C 13 42.174 0.000 . 1 . . . . A 22 LYS CE . 34706 1 288 . 1 . 1 22 22 LYS N N 15 122.534 0.000 . 1 . . . . A 22 LYS N . 34706 1 289 . 1 . 1 23 23 CYS H H 1 8.351 0.000 . 1 . . . . A 23 CYS H . 34706 1 290 . 1 . 1 23 23 CYS HA H 1 4.492 0.000 . 1 . . . . A 23 CYS HA . 34706 1 291 . 1 . 1 23 23 CYS HB2 H 1 2.922 0.000 . 2 . . . . A 23 CYS HB2 . 34706 1 292 . 1 . 1 23 23 CYS HB3 H 1 2.968 0.000 . 2 . . . . A 23 CYS HB3 . 34706 1 293 . 1 . 1 23 23 CYS CA C 13 58.281 0.000 . 1 . . . . A 23 CYS CA . 34706 1 294 . 1 . 1 23 23 CYS CB C 13 28.215 0.000 . 1 . . . . A 23 CYS CB . 34706 1 295 . 1 . 1 23 23 CYS N N 15 120.554 0.000 . 1 . . . . A 23 CYS N . 34706 1 stop_ save_