################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16878 _Assigned_chem_shift_list.ID 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 $chemical_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 4 '3D HN(COCA)CB' 1 $sample_1 isotropic 16878 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 3 3 LYS HA H 1 4.356 . . 1 . . . . . 3 LYS HA . 16878 1 2 . 1 1 3 3 LYS HB2 H 1 1.803 . . 2 . . . . . 3 LYS HB1 . 16878 1 3 . 1 1 3 3 LYS HB3 H 1 1.736 . . 2 . . . . . 3 LYS HB2 . 16878 1 4 . 1 1 3 3 LYS HD2 H 1 1.633 . . 2 . . . . . 3 LYS HD1 . 16878 1 5 . 1 1 3 3 LYS HE2 H 1 2.948 . . 2 . . . . . 3 LYS HE1 . 16878 1 6 . 1 1 3 3 LYS HG2 H 1 1.383 . . 2 . . . . . 3 LYS HG1 . 16878 1 7 . 1 1 3 3 LYS CA C 13 56.810 . . 1 . . . . . 3 LYS CA . 16878 1 8 . 1 1 3 3 LYS CB C 13 33.250 . . 1 . . . . . 3 LYS CB . 16878 1 9 . 1 1 3 3 LYS CD C 13 28.960 . . 1 . . . . . 3 LYS CD . 16878 1 10 . 1 1 3 3 LYS CE C 13 41.940 . . 1 . . . . . 3 LYS CE . 16878 1 11 . 1 1 3 3 LYS CG C 13 24.690 . . 1 . . . . . 3 LYS CG . 16878 1 12 . 1 1 4 4 ASN HA H 1 5.267 . . 1 . . . . . 4 ASN HA . 16878 1 13 . 1 1 4 4 ASN HB2 H 1 2.578 . . 2 . . . . . 4 ASN HB1 . 16878 1 14 . 1 1 4 4 ASN HB3 H 1 2.380 . . 2 . . . . . 4 ASN HB2 . 16878 1 15 . 1 1 4 4 ASN CA C 13 53.210 . . 1 . . . . . 4 ASN CA . 16878 1 16 . 1 1 4 4 ASN CB C 13 42.910 . . 1 . . . . . 4 ASN CB . 16878 1 17 . 1 1 5 5 GLU H H 1 8.723 . . 1 . . . . . 5 GLU HN . 16878 1 18 . 1 1 5 5 GLU HA H 1 4.019 . . 1 . . . . . 5 GLU HA . 16878 1 19 . 1 1 5 5 GLU HB2 H 1 2.111 . . 2 . . . . . 5 GLU HB1 . 16878 1 20 . 1 1 5 5 GLU HG2 H 1 2.378 . . 2 . . . . . 5 GLU HG1 . 16878 1 21 . 1 1 5 5 GLU HG3 H 1 2.265 . . 2 . . . . . 5 GLU HG2 . 16878 1 22 . 1 1 5 5 GLU CA C 13 56.850 . . 1 . . . . . 5 GLU CA . 16878 1 23 . 1 1 5 5 GLU CB C 13 31.158 . . 1 . . . . . 5 GLU CB . 16878 1 24 . 1 1 5 5 GLU CG C 13 37.150 . . 1 . . . . . 5 GLU CG . 16878 1 25 . 1 1 5 5 GLU N N 15 119.960 . . 1 . . . . . 5 GLU N . 16878 1 26 . 1 1 6 6 ASP H H 1 8.211 . . 1 . . . . . 6 ASP HN . 16878 1 27 . 1 1 6 6 ASP HA H 1 4.477 . . 1 . . . . . 6 ASP HA . 16878 1 28 . 1 1 6 6 ASP HB2 H 1 2.905 . . 2 . . . . . 6 ASP HB1 . 16878 1 29 . 1 1 6 6 ASP HB3 H 1 2.411 . . 2 . . . . . 6 ASP HB2 . 16878 1 30 . 1 1 6 6 ASP CA C 13 53.990 . . 1 . . . . . 6 ASP CA . 16878 1 31 . 1 1 6 6 ASP CB C 13 41.860 . . 1 . . . . . 6 ASP CB . 16878 1 32 . 1 1 6 6 ASP N N 15 118.220 . . 1 . . . . . 6 ASP N . 16878 1 33 . 1 1 7 7 GLU H H 1 7.231 . . 1 . . . . . 7 GLU HN . 16878 1 34 . 1 1 7 7 GLU HA H 1 4.084 . . 1 . . . . . 7 GLU HA . 16878 1 35 . 1 1 7 7 GLU HB2 H 1 1.484 . . 2 . . . . . 7 GLU HB1 . 16878 1 36 . 1 1 7 7 GLU HG2 H 1 1.944 . . 2 . . . . . 7 GLU HG1 . 16878 1 37 . 1 1 7 7 GLU HG3 H 1 1.746 . . 2 . . . . . 7 GLU HG2 . 16878 1 38 . 1 1 7 7 GLU CA C 13 53.976 . . 1 . . . . . 7 GLU CA . 16878 1 39 . 1 1 7 7 GLU CB C 13 33.140 . . 1 . . . . . 7 GLU CB . 16878 1 40 . 1 1 7 7 GLU CG C 13 35.239 . . 1 . . . . . 7 GLU CG . 16878 1 41 . 1 1 7 7 GLU N N 15 116.179 . . 1 . . . . . 7 GLU N . 16878 1 42 . 1 1 8 8 CYS H H 1 8.170 . . 1 . . . . . 8 CYS HN . 16878 1 43 . 1 1 8 8 CYS HA H 1 4.068 . . 1 . . . . . 8 CYS HA . 16878 1 44 . 1 1 8 8 CYS HB2 H 1 3.320 . . 2 . . . . . 8 CYS HB1 . 16878 1 45 . 1 1 8 8 CYS HB3 H 1 1.989 . . 2 . . . . . 8 CYS HB2 . 16878 1 46 . 1 1 8 8 CYS CA C 13 57.740 . . 1 . . . . . 8 CYS CA . 16878 1 47 . 1 1 8 8 CYS CB C 13 31.250 . . 1 . . . . . 8 CYS CB . 16878 1 48 . 1 1 8 8 CYS N N 15 122.270 . . 1 . . . . . 8 CYS N . 16878 1 49 . 1 1 9 9 ALA H H 1 9.020 . . 1 . . . . . 9 ALA HN . 16878 1 50 . 1 1 9 9 ALA HA H 1 3.956 . . 1 . . . . . 9 ALA HA . 16878 1 51 . 1 1 9 9 ALA HB1 H 1 1.210 . . 1 . . . . . 9 ALA HB1 . 16878 1 52 . 1 1 9 9 ALA HB2 H 1 1.210 . . 1 . . . . . 9 ALA HB1 . 16878 1 53 . 1 1 9 9 ALA HB3 H 1 1.210 . . 1 . . . . . 9 ALA HB1 . 16878 1 54 . 1 1 9 9 ALA CA C 13 54.700 . . 1 . . . . . 9 ALA CA . 16878 1 55 . 1 1 9 9 ALA CB C 13 18.900 . . 1 . . . . . 9 ALA CB . 16878 1 56 . 1 1 9 9 ALA N N 15 111.380 . . 1 . . . . . 9 ALA N . 16878 1 57 . 1 1 10 10 VAL H H 1 9.006 . . 1 . . . . . 10 VAL HN . 16878 1 58 . 1 1 10 10 VAL HA H 1 4.032 . . 1 . . . . . 10 VAL HA . 16878 1 59 . 1 1 10 10 VAL HB H 1 2.328 . . 1 . . . . . 10 VAL HB . 16878 1 60 . 1 1 10 10 VAL HG11 H 1 1.308 . . 2 . . . . . 10 VAL HG11 . 16878 1 61 . 1 1 10 10 VAL HG12 H 1 1.308 . . 2 . . . . . 10 VAL HG11 . 16878 1 62 . 1 1 10 10 VAL HG13 H 1 1.308 . . 2 . . . . . 10 VAL HG11 . 16878 1 63 . 1 1 10 10 VAL HG21 H 1 1.109 . . 2 . . . . . 10 VAL HG21 . 16878 1 64 . 1 1 10 10 VAL HG22 H 1 1.109 . . 2 . . . . . 10 VAL HG21 . 16878 1 65 . 1 1 10 10 VAL HG23 H 1 1.109 . . 2 . . . . . 10 VAL HG21 . 16878 1 66 . 1 1 10 10 VAL CA C 13 65.264 . . 1 . . . . . 10 VAL CA . 16878 1 67 . 1 1 10 10 VAL CB C 13 33.694 . . 1 . . . . . 10 VAL CB . 16878 1 68 . 1 1 10 10 VAL CG1 C 13 21.355 . . 1 . . . . . 10 VAL CG1 . 16878 1 69 . 1 1 10 10 VAL CG2 C 13 20.460 . . 1 . . . . . 10 VAL CG2 . 16878 1 70 . 1 1 10 10 VAL N N 15 119.630 . . 1 . . . . . 10 VAL N . 16878 1 71 . 1 1 11 11 CYS H H 1 8.051 . . 1 . . . . . 11 CYS HN . 16878 1 72 . 1 1 11 11 CYS HA H 1 4.894 . . 1 . . . . . 11 CYS HA . 16878 1 73 . 1 1 11 11 CYS HB2 H 1 3.315 . . 2 . . . . . 11 CYS HB1 . 16878 1 74 . 1 1 11 11 CYS HB3 H 1 2.906 . . 2 . . . . . 11 CYS HB2 . 16878 1 75 . 1 1 11 11 CYS CA C 13 59.240 . . 1 . . . . . 11 CYS CA . 16878 1 76 . 1 1 11 11 CYS CB C 13 31.590 . . 1 . . . . . 11 CYS CB . 16878 1 77 . 1 1 11 11 CYS N N 15 117.354 . . 1 . . . . . 11 CYS N . 16878 1 78 . 1 1 12 12 ARG H H 1 8.048 . . 1 . . . . . 12 ARG HN . 16878 1 79 . 1 1 12 12 ARG HA H 1 4.039 . . 1 . . . . . 12 ARG HA . 16878 1 80 . 1 1 12 12 ARG HB2 H 1 2.120 . . 2 . . . . . 12 ARG HB1 . 16878 1 81 . 1 1 12 12 ARG HB3 H 1 2.020 . . 2 . . . . . 12 ARG HB2 . 16878 1 82 . 1 1 12 12 ARG HD2 H 1 3.110 . . 2 . . . . . 12 ARG HD1 . 16878 1 83 . 1 1 12 12 ARG HG2 H 1 1.600 . . 2 . . . . . 12 ARG HG1 . 16878 1 84 . 1 1 12 12 ARG HG3 H 1 1.392 . . 2 . . . . . 12 ARG HG2 . 16878 1 85 . 1 1 12 12 ARG CA C 13 57.300 . . 1 . . . . . 12 ARG CA . 16878 1 86 . 1 1 12 12 ARG CB C 13 26.070 . . 1 . . . . . 12 ARG CB . 16878 1 87 . 1 1 12 12 ARG CD C 13 42.180 . . 1 . . . . . 12 ARG CD . 16878 1 88 . 1 1 12 12 ARG CG C 13 26.370 . . 1 . . . . . 12 ARG CG . 16878 1 89 . 1 1 12 12 ARG N N 15 116.850 . . 1 . . . . . 12 ARG N . 16878 1 90 . 1 1 13 13 ASP H H 1 8.332 . . 1 . . . . . 13 ASP HN . 16878 1 91 . 1 1 13 13 ASP HA H 1 5.346 . . 1 . . . . . 13 ASP HA . 16878 1 92 . 1 1 13 13 ASP HB2 H 1 2.940 . . 2 . . . . . 13 ASP HB1 . 16878 1 93 . 1 1 13 13 ASP HB3 H 1 2.710 . . 2 . . . . . 13 ASP HB2 . 16878 1 94 . 1 1 13 13 ASP CA C 13 51.330 . . 1 . . . . . 13 ASP CA . 16878 1 95 . 1 1 13 13 ASP CB C 13 44.105 . . 1 . . . . . 13 ASP CB . 16878 1 96 . 1 1 13 13 ASP N N 15 120.130 . . 1 . . . . . 13 ASP N . 16878 1 97 . 1 1 14 14 GLY H H 1 8.438 . . 1 . . . . . 14 GLY HN . 16878 1 98 . 1 1 14 14 GLY HA2 H 1 4.143 . . 2 . . . . . 14 GLY HA1 . 16878 1 99 . 1 1 14 14 GLY HA3 H 1 3.890 . . 2 . . . . . 14 GLY HA2 . 16878 1 100 . 1 1 14 14 GLY CA C 13 43.860 . . 1 . . . . . 14 GLY CA . 16878 1 101 . 1 1 14 14 GLY N N 15 128.950 . . 1 . . . . . 14 GLY N . 16878 1 102 . 1 1 15 15 GLY H H 1 8.605 . . 1 . . . . . 15 GLY HN . 16878 1 103 . 1 1 15 15 GLY HA2 H 1 4.585 . . 2 . . . . . 15 GLY HA1 . 16878 1 104 . 1 1 15 15 GLY HA3 H 1 3.729 . . 2 . . . . . 15 GLY HA2 . 16878 1 105 . 1 1 15 15 GLY CA C 13 44.100 . . 1 . . . . . 15 GLY CA . 16878 1 106 . 1 1 15 15 GLY N N 15 109.340 . . 1 . . . . . 15 GLY N . 16878 1 107 . 1 1 16 16 GLU H H 1 8.755 . . 1 . . . . . 16 GLU HN . 16878 1 108 . 1 1 16 16 GLU HA H 1 4.231 . . 1 . . . . . 16 GLU HA . 16878 1 109 . 1 1 16 16 GLU HB2 H 1 2.110 . . 2 . . . . . 16 GLU HB1 . 16878 1 110 . 1 1 16 16 GLU HB3 H 1 2.010 . . 2 . . . . . 16 GLU HB2 . 16878 1 111 . 1 1 16 16 GLU CA C 13 56.880 . . 1 . . . . . 16 GLU CA . 16878 1 112 . 1 1 16 16 GLU CB C 13 29.560 . . 1 . . . . . 16 GLU CB . 16878 1 113 . 1 1 16 16 GLU N N 15 125.320 . . 1 . . . . . 16 GLU N . 16878 1 114 . 1 1 17 17 LEU H H 1 8.062 . . 1 . . . . . 17 LEU HN . 16878 1 115 . 1 1 17 17 LEU HA H 1 4.862 . . 1 . . . . . 17 LEU HA . 16878 1 116 . 1 1 17 17 LEU HB2 H 1 1.258 . . 2 . . . . . 17 LEU HB1 . 16878 1 117 . 1 1 17 17 LEU HB3 H 1 1.026 . . 2 . . . . . 17 LEU HB2 . 16878 1 118 . 1 1 17 17 LEU HD11 H 1 0.228 . . 2 . . . . . 17 LEU HD11 . 16878 1 119 . 1 1 17 17 LEU HD12 H 1 0.228 . . 2 . . . . . 17 LEU HD11 . 16878 1 120 . 1 1 17 17 LEU HD13 H 1 0.228 . . 2 . . . . . 17 LEU HD11 . 16878 1 121 . 1 1 17 17 LEU HD21 H 1 -0.187 . . 2 . . . . . 17 LEU HD21 . 16878 1 122 . 1 1 17 17 LEU HD22 H 1 -0.187 . . 2 . . . . . 17 LEU HD21 . 16878 1 123 . 1 1 17 17 LEU HD23 H 1 -0.187 . . 2 . . . . . 17 LEU HD21 . 16878 1 124 . 1 1 17 17 LEU HG H 1 1.276 . . 1 . . . . . 17 LEU HG . 16878 1 125 . 1 1 17 17 LEU CA C 13 52.978 . . 1 . . . . . 17 LEU CA . 16878 1 126 . 1 1 17 17 LEU CB C 13 44.740 . . 1 . . . . . 17 LEU CB . 16878 1 127 . 1 1 17 17 LEU CD1 C 13 26.000 . . 1 . . . . . 17 LEU CD1 . 16878 1 128 . 1 1 17 17 LEU CD2 C 13 22.571 . . 1 . . . . . 17 LEU CD2 . 16878 1 129 . 1 1 17 17 LEU CG C 13 25.893 . . 1 . . . . . 17 LEU CG . 16878 1 130 . 1 1 17 17 LEU N N 15 125.640 . . 1 . . . . . 17 LEU N . 16878 1 131 . 1 1 18 18 ILE H H 1 9.308 . . 1 . . . . . 18 ILE HN . 16878 1 132 . 1 1 18 18 ILE HA H 1 4.733 . . 1 . . . . . 18 ILE HA . 16878 1 133 . 1 1 18 18 ILE HB H 1 1.195 . . 1 . . . . . 18 ILE HB . 16878 1 134 . 1 1 18 18 ILE HD11 H 1 -0.376 . . 1 . . . . . 18 ILE HD11 . 16878 1 135 . 1 1 18 18 ILE HD12 H 1 -0.376 . . 1 . . . . . 18 ILE HD11 . 16878 1 136 . 1 1 18 18 ILE HD13 H 1 -0.376 . . 1 . . . . . 18 ILE HD11 . 16878 1 137 . 1 1 18 18 ILE HG12 H 1 1.165 . . 1 . . . . . 18 ILE HG11 . 16878 1 138 . 1 1 18 18 ILE HG13 H 1 0.667 . . 1 . . . . . 18 ILE HG12 . 16878 1 139 . 1 1 18 18 ILE HG21 H 1 0.371 . . 2 . . . . . 18 ILE HG21 . 16878 1 140 . 1 1 18 18 ILE HG22 H 1 0.371 . . 2 . . . . . 18 ILE HG21 . 16878 1 141 . 1 1 18 18 ILE HG23 H 1 0.371 . . 2 . . . . . 18 ILE HG21 . 16878 1 142 . 1 1 18 18 ILE CA C 13 59.710 . . 1 . . . . . 18 ILE CA . 16878 1 143 . 1 1 18 18 ILE CB C 13 40.393 . . 1 . . . . . 18 ILE CB . 16878 1 144 . 1 1 18 18 ILE CD1 C 13 13.920 . . 1 . . . . . 18 ILE CD1 . 16878 1 145 . 1 1 18 18 ILE CG1 C 13 28.050 . . 2 . . . . . 18 ILE CG1 . 16878 1 146 . 1 1 18 18 ILE CG2 C 13 15.351 . . 1 . . . . . 18 ILE CG2 . 16878 1 147 . 1 1 18 18 ILE N N 15 120.280 . . 1 . . . . . 18 ILE N . 16878 1 148 . 1 1 19 19 CYS HA H 1 4.554 . . 1 . . . . . 19 CYS HA . 16878 1 149 . 1 1 19 19 CYS HB2 H 1 3.320 . . 2 . . . . . 19 CYS HB1 . 16878 1 150 . 1 1 19 19 CYS HB3 H 1 2.880 . . 2 . . . . . 19 CYS HB2 . 16878 1 151 . 1 1 19 19 CYS CA C 13 59.370 . . 1 . . . . . 19 CYS CA . 16878 1 152 . 1 1 19 19 CYS CB C 13 31.800 . . 1 . . . . . 19 CYS CB . 16878 1 153 . 1 1 20 20 CYS H H 1 8.624 . . 1 . . . . . 20 CYS HN . 16878 1 154 . 1 1 20 20 CYS HA H 1 4.794 . . 1 . . . . . 20 CYS HA . 16878 1 155 . 1 1 20 20 CYS HB2 H 1 3.794 . . 2 . . . . . 20 CYS HB1 . 16878 1 156 . 1 1 20 20 CYS HB3 H 1 2.868 . . 2 . . . . . 20 CYS HB2 . 16878 1 157 . 1 1 20 20 CYS CA C 13 61.740 . . 1 . . . . . 20 CYS CA . 16878 1 158 . 1 1 20 20 CYS CB C 13 30.080 . . 1 . . . . . 20 CYS CB . 16878 1 159 . 1 1 20 20 CYS N N 15 126.140 . . 1 . . . . . 20 CYS N . 16878 1 160 . 1 1 21 21 ASP H H 1 8.295 . . 1 . . . . . 21 ASP HN . 16878 1 161 . 1 1 21 21 ASP HA H 1 4.948 . . 1 . . . . . 21 ASP HA . 16878 1 162 . 1 1 21 21 ASP HB2 H 1 2.880 . . 2 . . . . . 21 ASP HB1 . 16878 1 163 . 1 1 21 21 ASP HB3 H 1 2.580 . . 2 . . . . . 21 ASP HB2 . 16878 1 164 . 1 1 21 21 ASP CA C 13 56.560 . . 1 . . . . . 21 ASP CA . 16878 1 165 . 1 1 21 21 ASP CB C 13 41.370 . . 1 . . . . . 21 ASP CB . 16878 1 166 . 1 1 21 21 ASP N N 15 120.443 . . 1 . . . . . 21 ASP N . 16878 1 167 . 1 1 22 22 GLY H H 1 10.512 . . 1 . . . . . 22 GLY HN . 16878 1 168 . 1 1 22 22 GLY HA2 H 1 4.299 . . 2 . . . . . 22 GLY HA1 . 16878 1 169 . 1 1 22 22 GLY HA3 H 1 3.911 . . 2 . . . . . 22 GLY HA2 . 16878 1 170 . 1 1 22 22 GLY N N 15 113.090 . . 1 . . . . . 22 GLY N . 16878 1 171 . 1 1 23 23 CYS H H 1 7.968 . . 1 . . . . . 23 CYS HN . 16878 1 172 . 1 1 23 23 CYS HA H 1 4.974 . . 1 . . . . . 23 CYS HA . 16878 1 173 . 1 1 23 23 CYS HB2 H 1 3.178 . . 2 . . . . . 23 CYS HB1 . 16878 1 174 . 1 1 23 23 CYS HB3 H 1 2.655 . . 2 . . . . . 23 CYS HB2 . 16878 1 175 . 1 1 23 23 CYS CA C 13 57.530 . . 1 . . . . . 23 CYS CA . 16878 1 176 . 1 1 23 23 CYS CB C 13 30.565 . . 1 . . . . . 23 CYS CB . 16878 1 177 . 1 1 23 23 CYS N N 15 124.059 . . 1 . . . . . 23 CYS N . 16878 1 178 . 1 1 24 24 PRO HA H 1 4.785 . . 1 . . . . . 24 PRO HA . 16878 1 179 . 1 1 24 24 PRO HB2 H 1 2.443 . . 2 . . . . . 24 PRO HB1 . 16878 1 180 . 1 1 24 24 PRO HB3 H 1 1.954 . . 2 . . . . . 24 PRO HB2 . 16878 1 181 . 1 1 24 24 PRO HD2 H 1 3.767 . . 2 . . . . . 24 PRO HD1 . 16878 1 182 . 1 1 24 24 PRO HD3 H 1 3.497 . . 2 . . . . . 24 PRO HD2 . 16878 1 183 . 1 1 24 24 PRO HG2 H 1 1.946 . . 2 . . . . . 24 PRO HG1 . 16878 1 184 . 1 1 24 24 PRO HG3 H 1 1.851 . . 2 . . . . . 24 PRO HG2 . 16878 1 185 . 1 1 24 24 PRO CA C 13 63.750 . . 1 . . . . . 24 PRO CA . 16878 1 186 . 1 1 24 24 PRO CB C 13 32.124 . . 1 . . . . . 24 PRO CB . 16878 1 187 . 1 1 24 24 PRO CD C 13 50.869 . . 1 . . . . . 24 PRO CD . 16878 1 188 . 1 1 24 24 PRO CG C 13 27.810 . . 1 . . . . . 24 PRO CG . 16878 1 189 . 1 1 25 25 ARG H H 1 8.732 . . 1 . . . . . 25 ARG HN . 16878 1 190 . 1 1 25 25 ARG HA H 1 4.041 . . 1 . . . . . 25 ARG HA . 16878 1 191 . 1 1 25 25 ARG HB2 H 1 1.907 . . 2 . . . . . 25 ARG HB1 . 16878 1 192 . 1 1 25 25 ARG HB3 H 1 1.456 . . 2 . . . . . 25 ARG HB2 . 16878 1 193 . 1 1 25 25 ARG HD2 H 1 3.485 . . 2 . . . . . 25 ARG HD1 . 16878 1 194 . 1 1 25 25 ARG HD3 H 1 3.126 . . 2 . . . . . 25 ARG HD2 . 16878 1 195 . 1 1 25 25 ARG HG2 H 1 2.080 . . 2 . . . . . 25 ARG HG1 . 16878 1 196 . 1 1 25 25 ARG HG3 H 1 1.645 . . 2 . . . . . 25 ARG HG2 . 16878 1 197 . 1 1 25 25 ARG CA C 13 58.830 . . 1 . . . . . 25 ARG CA . 16878 1 198 . 1 1 25 25 ARG CB C 13 32.700 . . 1 . . . . . 25 ARG CB . 16878 1 199 . 1 1 25 25 ARG CD C 13 44.220 . . 1 . . . . . 25 ARG CD . 16878 1 200 . 1 1 25 25 ARG CG C 13 29.480 . . 1 . . . . . 25 ARG CG . 16878 1 201 . 1 1 25 25 ARG N N 15 120.290 . . 1 . . . . . 25 ARG N . 16878 1 202 . 1 1 26 26 ALA H H 1 8.595 . . 1 . . . . . 26 ALA HN . 16878 1 203 . 1 1 26 26 ALA HA H 1 5.357 . . 1 . . . . . 26 ALA HA . 16878 1 204 . 1 1 26 26 ALA HB1 H 1 1.072 . . 1 . . . . . 26 ALA HB1 . 16878 1 205 . 1 1 26 26 ALA HB2 H 1 1.072 . . 1 . . . . . 26 ALA HB1 . 16878 1 206 . 1 1 26 26 ALA HB3 H 1 1.072 . . 1 . . . . . 26 ALA HB1 . 16878 1 207 . 1 1 26 26 ALA CA C 13 50.490 . . 1 . . . . . 26 ALA CA . 16878 1 208 . 1 1 26 26 ALA CB C 13 23.550 . . 1 . . . . . 26 ALA CB . 16878 1 209 . 1 1 26 26 ALA N N 15 124.400 . . 1 . . . . . 26 ALA N . 16878 1 210 . 1 1 27 27 PHE H H 1 8.846 . . 1 . . . . . 27 PHE HN . 16878 1 211 . 1 1 27 27 PHE HA H 1 5.645 . . 1 . . . . . 27 PHE HA . 16878 1 212 . 1 1 27 27 PHE HB2 H 1 3.042 . . 2 . . . . . 27 PHE HB1 . 16878 1 213 . 1 1 27 27 PHE HB3 H 1 2.389 . . 2 . . . . . 27 PHE HB2 . 16878 1 214 . 1 1 27 27 PHE HD1 H 1 7.243 . . 3 . . . . . 27 PHE HD1 . 16878 1 215 . 1 1 27 27 PHE HE1 H 1 7.330 . . 3 . . . . . 27 PHE HE1 . 16878 1 216 . 1 1 27 27 PHE HZ H 1 7.351 . . 1 . . . . . 27 PHE HZ . 16878 1 217 . 1 1 27 27 PHE CA C 13 57.024 . . 1 . . . . . 27 PHE CA . 16878 1 218 . 1 1 27 27 PHE CB C 13 45.286 . . 1 . . . . . 27 PHE CB . 16878 1 219 . 1 1 27 27 PHE CD1 C 13 132.697 . . 3 . . . . . 27 PHE CD1 . 16878 1 220 . 1 1 27 27 PHE CE1 C 13 131.400 . . 3 . . . . . 27 PHE CE1 . 16878 1 221 . 1 1 27 27 PHE CZ C 13 129.890 . . 1 . . . . . 27 PHE CZ . 16878 1 222 . 1 1 27 27 PHE N N 15 113.607 . . 1 . . . . . 27 PHE N . 16878 1 223 . 1 1 28 28 HIS H H 1 8.652 . . 1 . . . . . 28 HIS HN . 16878 1 224 . 1 1 28 28 HIS HA H 1 4.941 . . 1 . . . . . 28 HIS HA . 16878 1 225 . 1 1 28 28 HIS HB2 H 1 3.663 . . 2 . . . . . 28 HIS HB1 . 16878 1 226 . 1 1 28 28 HIS HB3 H 1 3.539 . . 2 . . . . . 28 HIS HB2 . 16878 1 227 . 1 1 28 28 HIS HD2 H 1 7.410 . . 3 . . . . . 28 HIS HD2 . 16878 1 228 . 1 1 28 28 HIS HE1 H 1 7.309 . . 3 . . . . . 28 HIS HE1 . 16878 1 229 . 1 1 28 28 HIS CA C 13 58.470 . . 1 . . . . . 28 HIS CA . 16878 1 230 . 1 1 28 28 HIS CB C 13 30.750 . . 1 . . . . . 28 HIS CB . 16878 1 231 . 1 1 28 28 HIS CD2 C 13 118.890 . . 1 . . . . . 28 HIS CD2 . 16878 1 232 . 1 1 28 28 HIS CE1 C 13 138.950 . . 1 . . . . . 28 HIS CE1 . 16878 1 233 . 1 1 28 28 HIS N N 15 121.180 . . 1 . . . . . 28 HIS N . 16878 1 234 . 1 1 29 29 LEU H H 1 8.956 . . 1 . . . . . 29 LEU HN . 16878 1 235 . 1 1 29 29 LEU HA H 1 3.816 . . 1 . . . . . 29 LEU HA . 16878 1 236 . 1 1 29 29 LEU HB2 H 1 1.811 . . 2 . . . . . 29 LEU HB1 . 16878 1 237 . 1 1 29 29 LEU HB3 H 1 1.555 . . 2 . . . . . 29 LEU HB2 . 16878 1 238 . 1 1 29 29 LEU HD11 H 1 0.650 . . 2 . . . . . 29 LEU HD11 . 16878 1 239 . 1 1 29 29 LEU HD12 H 1 0.650 . . 2 . . . . . 29 LEU HD11 . 16878 1 240 . 1 1 29 29 LEU HD13 H 1 0.650 . . 2 . . . . . 29 LEU HD11 . 16878 1 241 . 1 1 29 29 LEU HD21 H 1 0.527 . . 2 . . . . . 29 LEU HD21 . 16878 1 242 . 1 1 29 29 LEU HD22 H 1 0.527 . . 2 . . . . . 29 LEU HD21 . 16878 1 243 . 1 1 29 29 LEU HD23 H 1 0.527 . . 2 . . . . . 29 LEU HD21 . 16878 1 244 . 1 1 29 29 LEU HG H 1 1.648 . . 1 . . . . . 29 LEU HG . 16878 1 245 . 1 1 29 29 LEU CA C 13 59.014 . . 1 . . . . . 29 LEU CA . 16878 1 246 . 1 1 29 29 LEU CB C 13 40.150 . . 1 . . . . . 29 LEU CB . 16878 1 247 . 1 1 29 29 LEU CD1 C 13 24.899 . . 1 . . . . . 29 LEU CD1 . 16878 1 248 . 1 1 29 29 LEU CD2 C 13 23.319 . . 1 . . . . . 29 LEU CD2 . 16878 1 249 . 1 1 29 29 LEU CG C 13 27.570 . . 1 . . . . . 29 LEU CG . 16878 1 250 . 1 1 29 29 LEU N N 15 124.560 . . 1 . . . . . 29 LEU N . 16878 1 251 . 1 1 30 30 ALA H H 1 8.285 . . 1 . . . . . 30 ALA HN . 16878 1 252 . 1 1 30 30 ALA HA H 1 4.314 . . 1 . . . . . 30 ALA HA . 16878 1 253 . 1 1 30 30 ALA HB1 H 1 1.453 . . 1 . . . . . 30 ALA HB1 . 16878 1 254 . 1 1 30 30 ALA HB2 H 1 1.453 . . 1 . . . . . 30 ALA HB1 . 16878 1 255 . 1 1 30 30 ALA HB3 H 1 1.453 . . 1 . . . . . 30 ALA HB1 . 16878 1 256 . 1 1 30 30 ALA CA C 13 53.413 . . 1 . . . . . 30 ALA CA . 16878 1 257 . 1 1 30 30 ALA CB C 13 18.463 . . 1 . . . . . 30 ALA CB . 16878 1 258 . 1 1 30 30 ALA N N 15 114.361 . . 1 . . . . . 30 ALA N . 16878 1 259 . 1 1 31 31 CYS H H 1 7.579 . . 1 . . . . . 31 CYS HN . 16878 1 260 . 1 1 31 31 CYS HA H 1 4.344 . . 1 . . . . . 31 CYS HA . 16878 1 261 . 1 1 31 31 CYS HB2 H 1 3.301 . . 2 . . . . . 31 CYS HB1 . 16878 1 262 . 1 1 31 31 CYS HB3 H 1 3.032 . . 2 . . . . . 31 CYS HB2 . 16878 1 263 . 1 1 31 31 CYS CA C 13 61.300 . . 1 . . . . . 31 CYS CA . 16878 1 264 . 1 1 31 31 CYS CB C 13 30.845 . . 1 . . . . . 31 CYS CB . 16878 1 265 . 1 1 31 31 CYS N N 15 115.617 . . 1 . . . . . 31 CYS N . 16878 1 266 . 1 1 32 32 LEU H H 1 6.744 . . 1 . . . . . 32 LEU HN . 16878 1 267 . 1 1 32 32 LEU HA H 1 4.082 . . 1 . . . . . 32 LEU HA . 16878 1 268 . 1 1 32 32 LEU HB2 H 1 1.847 . . 2 . . . . . 32 LEU HB1 . 16878 1 269 . 1 1 32 32 LEU HB3 H 1 1.389 . . 2 . . . . . 32 LEU HB2 . 16878 1 270 . 1 1 32 32 LEU HD11 H 1 0.752 . . 2 . . . . . 32 LEU HD11 . 16878 1 271 . 1 1 32 32 LEU HD12 H 1 0.752 . . 2 . . . . . 32 LEU HD11 . 16878 1 272 . 1 1 32 32 LEU HD13 H 1 0.752 . . 2 . . . . . 32 LEU HD11 . 16878 1 273 . 1 1 32 32 LEU HD21 H 1 0.456 . . 2 . . . . . 32 LEU HD21 . 16878 1 274 . 1 1 32 32 LEU HD22 H 1 0.456 . . 2 . . . . . 32 LEU HD21 . 16878 1 275 . 1 1 32 32 LEU HD23 H 1 0.456 . . 2 . . . . . 32 LEU HD21 . 16878 1 276 . 1 1 32 32 LEU HG H 1 1.804 . . 1 . . . . . 32 LEU HG . 16878 1 277 . 1 1 32 32 LEU CA C 13 55.203 . . 1 . . . . . 32 LEU CA . 16878 1 278 . 1 1 32 32 LEU CB C 13 43.954 . . 1 . . . . . 32 LEU CB . 16878 1 279 . 1 1 32 32 LEU CD1 C 13 26.850 . . 1 . . . . . 32 LEU CD1 . 16878 1 280 . 1 1 32 32 LEU CD2 C 13 23.518 . . 1 . . . . . 32 LEU CD2 . 16878 1 281 . 1 1 32 32 LEU CG C 13 26.850 . . 1 . . . . . 32 LEU CG . 16878 1 282 . 1 1 32 32 LEU N N 15 120.667 . . 1 . . . . . 32 LEU N . 16878 1 283 . 1 1 33 33 SER H H 1 7.940 . . 1 . . . . . 33 SER HN . 16878 1 284 . 1 1 33 33 SER HA H 1 4.732 . . 1 . . . . . 33 SER HA . 16878 1 285 . 1 1 33 33 SER HB2 H 1 3.740 . . 2 . . . . . 33 SER HB1 . 16878 1 286 . 1 1 33 33 SER HB3 H 1 3.624 . . 2 . . . . . 33 SER HB2 . 16878 1 287 . 1 1 33 33 SER CA C 13 54.150 . . 1 . . . . . 33 SER CA . 16878 1 288 . 1 1 33 33 SER CB C 13 64.610 . . 1 . . . . . 33 SER CB . 16878 1 289 . 1 1 33 33 SER N N 15 113.406 . . 1 . . . . . 33 SER N . 16878 1 290 . 1 1 34 34 PRO HA H 1 5.069 . . 1 . . . . . 34 PRO HA . 16878 1 291 . 1 1 34 34 PRO HB2 H 1 2.418 . . 2 . . . . . 34 PRO HB1 . 16878 1 292 . 1 1 34 34 PRO HB3 H 1 2.045 . . 2 . . . . . 34 PRO HB2 . 16878 1 293 . 1 1 34 34 PRO HD2 H 1 3.629 . . 2 . . . . . 34 PRO HD1 . 16878 1 294 . 1 1 34 34 PRO HD3 H 1 3.470 . . 2 . . . . . 34 PRO HD2 . 16878 1 295 . 1 1 34 34 PRO HG2 H 1 1.925 . . 2 . . . . . 34 PRO HG1 . 16878 1 296 . 1 1 34 34 PRO HG3 H 1 1.834 . . 2 . . . . . 34 PRO HG2 . 16878 1 297 . 1 1 34 34 PRO CA C 13 62.310 . . 1 . . . . . 34 PRO CA . 16878 1 298 . 1 1 34 34 PRO CB C 13 32.840 . . 1 . . . . . 34 PRO CB . 16878 1 299 . 1 1 34 34 PRO CD C 13 50.335 . . 1 . . . . . 34 PRO CD . 16878 1 300 . 1 1 34 34 PRO CG C 13 24.930 . . 1 . . . . . 34 PRO CG . 16878 1 301 . 1 1 35 35 PRO HA H 1 4.292 . . 1 . . . . . 35 PRO HA . 16878 1 302 . 1 1 35 35 PRO HB2 H 1 2.256 . . 2 . . . . . 35 PRO HB1 . 16878 1 303 . 1 1 35 35 PRO HB3 H 1 1.725 . . 2 . . . . . 35 PRO HB2 . 16878 1 304 . 1 1 35 35 PRO HD2 H 1 3.793 . . 2 . . . . . 35 PRO HD1 . 16878 1 305 . 1 1 35 35 PRO HD3 H 1 3.618 . . 2 . . . . . 35 PRO HD2 . 16878 1 306 . 1 1 35 35 PRO HG2 H 1 2.090 . . 2 . . . . . 35 PRO HG1 . 16878 1 307 . 1 1 35 35 PRO HG3 H 1 2.000 . . 2 . . . . . 35 PRO HG2 . 16878 1 308 . 1 1 35 35 PRO CA C 13 63.425 . . 1 . . . . . 35 PRO CA . 16878 1 309 . 1 1 35 35 PRO CB C 13 32.486 . . 1 . . . . . 35 PRO CB . 16878 1 310 . 1 1 35 35 PRO CD C 13 50.090 . . 1 . . . . . 35 PRO CD . 16878 1 311 . 1 1 35 35 PRO CG C 13 27.470 . . 1 . . . . . 35 PRO CG . 16878 1 312 . 1 1 36 36 LEU H H 1 7.337 . . 1 . . . . . 36 LEU HN . 16878 1 313 . 1 1 36 36 LEU HA H 1 4.560 . . 1 . . . . . 36 LEU HA . 16878 1 314 . 1 1 36 36 LEU HB2 H 1 1.475 . . 2 . . . . . 36 LEU HB1 . 16878 1 315 . 1 1 36 36 LEU HD11 H 1 0.654 . . 2 . . . . . 36 LEU HD11 . 16878 1 316 . 1 1 36 36 LEU HD12 H 1 0.654 . . 2 . . . . . 36 LEU HD11 . 16878 1 317 . 1 1 36 36 LEU HD13 H 1 0.654 . . 2 . . . . . 36 LEU HD11 . 16878 1 318 . 1 1 36 36 LEU HD21 H 1 0.817 . . 2 . . . . . 36 LEU HD21 . 16878 1 319 . 1 1 36 36 LEU HD22 H 1 0.817 . . 2 . . . . . 36 LEU HD21 . 16878 1 320 . 1 1 36 36 LEU HD23 H 1 0.817 . . 2 . . . . . 36 LEU HD21 . 16878 1 321 . 1 1 36 36 LEU HG H 1 1.695 . . 1 . . . . . 36 LEU HG . 16878 1 322 . 1 1 36 36 LEU CA C 13 53.705 . . 1 . . . . . 36 LEU CA . 16878 1 323 . 1 1 36 36 LEU CB C 13 44.671 . . 1 . . . . . 36 LEU CB . 16878 1 324 . 1 1 36 36 LEU CD1 C 13 24.695 . . 1 . . . . . 36 LEU CD1 . 16878 1 325 . 1 1 36 36 LEU CD2 C 13 22.864 . . 1 . . . . . 36 LEU CD2 . 16878 1 326 . 1 1 36 36 LEU CG C 13 27.330 . . 1 . . . . . 36 LEU CG . 16878 1 327 . 1 1 36 36 LEU N N 15 120.941 . . 1 . . . . . 36 LEU N . 16878 1 328 . 1 1 37 37 ARG H H 1 8.662 . . 1 . . . . . 37 ARG HN . 16878 1 329 . 1 1 37 37 ARG HA H 1 4.233 . . 1 . . . . . 37 ARG HA . 16878 1 330 . 1 1 37 37 ARG HB2 H 1 1.870 . . 2 . . . . . 37 ARG HB1 . 16878 1 331 . 1 1 37 37 ARG HB3 H 1 1.690 . . 2 . . . . . 37 ARG HB2 . 16878 1 332 . 1 1 37 37 ARG HD2 H 1 3.145 . . 2 . . . . . 37 ARG HD1 . 16878 1 333 . 1 1 37 37 ARG HG2 H 1 1.610 . . 2 . . . . . 37 ARG HG1 . 16878 1 334 . 1 1 37 37 ARG HG3 H 1 1.550 . . 2 . . . . . 37 ARG HG2 . 16878 1 335 . 1 1 37 37 ARG CA C 13 56.633 . . 1 . . . . . 37 ARG CA . 16878 1 336 . 1 1 37 37 ARG CB C 13 31.412 . . 1 . . . . . 37 ARG CB . 16878 1 337 . 1 1 37 37 ARG CD C 13 43.130 . . 1 . . . . . 37 ARG CD . 16878 1 338 . 1 1 37 37 ARG CG C 13 27.330 . . 1 . . . . . 37 ARG CG . 16878 1 339 . 1 1 37 37 ARG N N 15 118.789 . . 1 . . . . . 37 ARG N . 16878 1 340 . 1 1 38 38 GLU H H 1 7.336 . . 1 . . . . . 38 GLU HN . 16878 1 341 . 1 1 38 38 GLU HA H 1 4.454 . . 1 . . . . . 38 GLU HA . 16878 1 342 . 1 1 38 38 GLU HB2 H 1 1.920 . . 2 . . . . . 38 GLU HB1 . 16878 1 343 . 1 1 38 38 GLU HB3 H 1 1.760 . . 2 . . . . . 38 GLU HB2 . 16878 1 344 . 1 1 38 38 GLU HG2 H 1 2.020 . . 2 . . . . . 38 GLU HG1 . 16878 1 345 . 1 1 38 38 GLU CA C 13 54.096 . . 1 . . . . . 38 GLU CA . 16878 1 346 . 1 1 38 38 GLU CB C 13 32.736 . . 1 . . . . . 38 GLU CB . 16878 1 347 . 1 1 38 38 GLU CG C 13 35.470 . . 1 . . . . . 38 GLU CG . 16878 1 348 . 1 1 38 38 GLU N N 15 115.407 . . 1 . . . . . 38 GLU N . 16878 1 349 . 1 1 39 39 ILE H H 1 8.614 . . 1 . . . . . 39 ILE HN . 16878 1 350 . 1 1 39 39 ILE HA H 1 3.855 . . 1 . . . . . 39 ILE HA . 16878 1 351 . 1 1 39 39 ILE HB H 1 1.708 . . 1 . . . . . 39 ILE HB . 16878 1 352 . 1 1 39 39 ILE HD11 H 1 0.749 . . 1 . . . . . 39 ILE HD11 . 16878 1 353 . 1 1 39 39 ILE HD12 H 1 0.749 . . 1 . . . . . 39 ILE HD11 . 16878 1 354 . 1 1 39 39 ILE HD13 H 1 0.749 . . 1 . . . . . 39 ILE HD11 . 16878 1 355 . 1 1 39 39 ILE HG12 H 1 1.550 . . 1 . . . . . 39 ILE HG11 . 16878 1 356 . 1 1 39 39 ILE HG13 H 1 0.911 . . 1 . . . . . 39 ILE HG12 . 16878 1 357 . 1 1 39 39 ILE HG21 H 1 0.774 . . 2 . . . . . 39 ILE HG21 . 16878 1 358 . 1 1 39 39 ILE HG22 H 1 0.774 . . 2 . . . . . 39 ILE HG21 . 16878 1 359 . 1 1 39 39 ILE HG23 H 1 0.774 . . 2 . . . . . 39 ILE HG21 . 16878 1 360 . 1 1 39 39 ILE CA C 13 59.650 . . 1 . . . . . 39 ILE CA . 16878 1 361 . 1 1 39 39 ILE CB C 13 38.500 . . 1 . . . . . 39 ILE CB . 16878 1 362 . 1 1 39 39 ILE CD1 C 13 12.810 . . 1 . . . . . 39 ILE CD1 . 16878 1 363 . 1 1 39 39 ILE CG1 C 13 28.290 . . 2 . . . . . 39 ILE CG1 . 16878 1 364 . 1 1 39 39 ILE CG2 C 13 17.510 . . 1 . . . . . 39 ILE CG2 . 16878 1 365 . 1 1 39 39 ILE N N 15 124.029 . . 1 . . . . . 39 ILE N . 16878 1 366 . 1 1 40 40 PRO HA H 1 4.467 . . 1 . . . . . 40 PRO HA . 16878 1 367 . 1 1 40 40 PRO HB2 H 1 2.359 . . 2 . . . . . 40 PRO HB1 . 16878 1 368 . 1 1 40 40 PRO HB3 H 1 1.937 . . 2 . . . . . 40 PRO HB2 . 16878 1 369 . 1 1 40 40 PRO HD2 H 1 3.820 . . 2 . . . . . 40 PRO HD1 . 16878 1 370 . 1 1 40 40 PRO HD3 H 1 3.089 . . 2 . . . . . 40 PRO HD2 . 16878 1 371 . 1 1 40 40 PRO HG2 H 1 1.836 . . 2 . . . . . 40 PRO HG1 . 16878 1 372 . 1 1 40 40 PRO HG3 H 1 1.746 . . 2 . . . . . 40 PRO HG2 . 16878 1 373 . 1 1 40 40 PRO CA C 13 62.950 . . 1 . . . . . 40 PRO CA . 16878 1 374 . 1 1 40 40 PRO CB C 13 32.530 . . 1 . . . . . 40 PRO CB . 16878 1 375 . 1 1 40 40 PRO CD C 13 50.903 . . 1 . . . . . 40 PRO CD . 16878 1 376 . 1 1 40 40 PRO CG C 13 27.090 . . 1 . . . . . 40 PRO CG . 16878 1 377 . 1 1 41 41 SER H H 1 8.509 . . 1 . . . . . 41 SER HN . 16878 1 378 . 1 1 41 41 SER HA H 1 4.347 . . 1 . . . . . 41 SER HA . 16878 1 379 . 1 1 41 41 SER HB2 H 1 3.881 . . 2 . . . . . 41 SER HB1 . 16878 1 380 . 1 1 41 41 SER CA C 13 58.960 . . 1 . . . . . 41 SER CA . 16878 1 381 . 1 1 41 41 SER CB C 13 64.050 . . 1 . . . . . 41 SER CB . 16878 1 382 . 1 1 41 41 SER N N 15 116.580 . . 1 . . . . . 41 SER N . 16878 1 383 . 1 1 42 42 GLY H H 1 8.351 . . 1 . . . . . 42 GLY HN . 16878 1 384 . 1 1 42 42 GLY HA2 H 1 4.340 . . 2 . . . . . 42 GLY HA1 . 16878 1 385 . 1 1 42 42 GLY HA3 H 1 4.008 . . 2 . . . . . 42 GLY HA2 . 16878 1 386 . 1 1 42 42 GLY CA C 13 45.250 . . 1 . . . . . 42 GLY CA . 16878 1 387 . 1 1 42 42 GLY N N 15 111.340 . . 1 . . . . . 42 GLY N . 16878 1 388 . 1 1 43 43 THR HA H 1 4.348 . . 1 . . . . . 43 THR HA . 16878 1 389 . 1 1 43 43 THR HB H 1 4.117 . . 1 . . . . . 43 THR HB . 16878 1 390 . 1 1 43 43 THR HG21 H 1 1.211 . . 1 . . . . . 43 THR HG21 . 16878 1 391 . 1 1 43 43 THR HG22 H 1 1.211 . . 1 . . . . . 43 THR HG21 . 16878 1 392 . 1 1 43 43 THR HG23 H 1 1.211 . . 1 . . . . . 43 THR HG21 . 16878 1 393 . 1 1 43 43 THR CA C 13 62.600 . . 1 . . . . . 43 THR CA . 16878 1 394 . 1 1 43 43 THR CB C 13 69.700 . . 1 . . . . . 43 THR CB . 16878 1 395 . 1 1 43 43 THR CG2 C 13 21.101 . . 1 . . . . . 43 THR CG2 . 16878 1 396 . 1 1 44 44 TRP H H 1 8.966 . . 1 . . . . . 44 TRP HN . 16878 1 397 . 1 1 44 44 TRP HA H 1 4.331 . . 1 . . . . . 44 TRP HA . 16878 1 398 . 1 1 44 44 TRP HB2 H 1 3.215 . . 2 . . . . . 44 TRP HB1 . 16878 1 399 . 1 1 44 44 TRP HB3 H 1 2.980 . . 2 . . . . . 44 TRP HB2 . 16878 1 400 . 1 1 44 44 TRP HD1 H 1 7.211 . . 1 . . . . . 44 TRP HD1 . 16878 1 401 . 1 1 44 44 TRP HE1 H 1 9.767 . . 3 . . . . . 44 TRP HE1 . 16878 1 402 . 1 1 44 44 TRP HE3 H 1 7.350 . . 3 . . . . . 44 TRP HE3 . 16878 1 403 . 1 1 44 44 TRP HH2 H 1 6.308 . . 1 . . . . . 44 TRP HH2 . 16878 1 404 . 1 1 44 44 TRP HZ2 H 1 7.084 . . 3 . . . . . 44 TRP HZ2 . 16878 1 405 . 1 1 44 44 TRP HZ3 H 1 6.700 . . 3 . . . . . 44 TRP HZ3 . 16878 1 406 . 1 1 44 44 TRP CA C 13 59.882 . . 1 . . . . . 44 TRP CA . 16878 1 407 . 1 1 44 44 TRP CB C 13 32.227 . . 1 . . . . . 44 TRP CB . 16878 1 408 . 1 1 44 44 TRP CD1 C 13 126.010 . . 3 . . . . . 44 TRP CD1 . 16878 1 409 . 1 1 44 44 TRP CE3 C 13 121.260 . . 3 . . . . . 44 TRP CE3 . 16878 1 410 . 1 1 44 44 TRP CH2 C 13 123.850 . . 1 . . . . . 44 TRP CH2 . 16878 1 411 . 1 1 44 44 TRP CZ2 C 13 114.367 . . 3 . . . . . 44 TRP CZ2 . 16878 1 412 . 1 1 44 44 TRP CZ3 C 13 119.970 . . 3 . . . . . 44 TRP CZ3 . 16878 1 413 . 1 1 44 44 TRP N N 15 128.820 . . 1 . . . . . 44 TRP N . 16878 1 414 . 1 1 44 44 TRP NE1 N 15 128.240 . . 1 . . . . . 44 TRP NE1 . 16878 1 415 . 1 1 45 45 ARG H H 1 6.771 . . 1 . . . . . 45 ARG HN . 16878 1 416 . 1 1 45 45 ARG HA H 1 5.156 . . 1 . . . . . 45 ARG HA . 16878 1 417 . 1 1 45 45 ARG HB2 H 1 1.274 . . 2 . . . . . 45 ARG HB1 . 16878 1 418 . 1 1 45 45 ARG HB3 H 1 1.158 . . 2 . . . . . 45 ARG HB2 . 16878 1 419 . 1 1 45 45 ARG HD2 H 1 2.936 . . 2 . . . . . 45 ARG HD1 . 16878 1 420 . 1 1 45 45 ARG HD3 H 1 2.886 . . 2 . . . . . 45 ARG HD2 . 16878 1 421 . 1 1 45 45 ARG HG2 H 1 1.476 . . 2 . . . . . 45 ARG HG1 . 16878 1 422 . 1 1 45 45 ARG HG3 H 1 1.263 . . 2 . . . . . 45 ARG HG2 . 16878 1 423 . 1 1 45 45 ARG CA C 13 53.157 . . 1 . . . . . 45 ARG CA . 16878 1 424 . 1 1 45 45 ARG CB C 13 34.825 . . 1 . . . . . 45 ARG CB . 16878 1 425 . 1 1 45 45 ARG CD C 13 43.380 . . 1 . . . . . 45 ARG CD . 16878 1 426 . 1 1 45 45 ARG CG C 13 28.530 . . 1 . . . . . 45 ARG CG . 16878 1 427 . 1 1 45 45 ARG N N 15 124.265 . . 1 . . . . . 45 ARG N . 16878 1 428 . 1 1 46 46 CYS H H 1 9.197 . . 1 . . . . . 46 CYS HN . 16878 1 429 . 1 1 46 46 CYS HA H 1 3.681 . . 1 . . . . . 46 CYS HA . 16878 1 430 . 1 1 46 46 CYS HB2 H 1 3.209 . . 2 . . . . . 46 CYS HB1 . 16878 1 431 . 1 1 46 46 CYS HB3 H 1 2.667 . . 2 . . . . . 46 CYS HB2 . 16878 1 432 . 1 1 46 46 CYS CA C 13 57.513 . . 1 . . . . . 46 CYS CA . 16878 1 433 . 1 1 46 46 CYS CB C 13 32.998 . . 1 . . . . . 46 CYS CB . 16878 1 434 . 1 1 46 46 CYS N N 15 124.586 . . 1 . . . . . 46 CYS N . 16878 1 435 . 1 1 47 47 SER H H 1 8.213 . . 1 . . . . . 47 SER HN . 16878 1 436 . 1 1 47 47 SER HA H 1 3.924 . . 1 . . . . . 47 SER HA . 16878 1 437 . 1 1 47 47 SER HB2 H 1 3.900 . . 2 . . . . . 47 SER HB1 . 16878 1 438 . 1 1 47 47 SER CA C 13 61.653 . . 1 . . . . . 47 SER CA . 16878 1 439 . 1 1 47 47 SER CB C 13 62.970 . . 1 . . . . . 47 SER CB . 16878 1 440 . 1 1 47 47 SER N N 15 111.881 . . 1 . . . . . 47 SER N . 16878 1 441 . 1 1 48 48 SER H H 1 8.232 . . 1 . . . . . 48 SER HN . 16878 1 442 . 1 1 48 48 SER HA H 1 4.317 . . 1 . . . . . 48 SER HA . 16878 1 443 . 1 1 48 48 SER HB2 H 1 3.980 . . 2 . . . . . 48 SER HB1 . 16878 1 444 . 1 1 48 48 SER HB3 H 1 3.921 . . 2 . . . . . 48 SER HB2 . 16878 1 445 . 1 1 48 48 SER CA C 13 61.961 . . 1 . . . . . 48 SER CA . 16878 1 446 . 1 1 48 48 SER CB C 13 62.948 . . 1 . . . . . 48 SER CB . 16878 1 447 . 1 1 48 48 SER N N 15 119.204 . . 1 . . . . . 48 SER N . 16878 1 448 . 1 1 49 49 CYS H H 1 8.350 . . 1 . . . . . 49 CYS HN . 16878 1 449 . 1 1 49 49 CYS HA H 1 3.896 . . 1 . . . . . 49 CYS HA . 16878 1 450 . 1 1 49 49 CYS HB2 H 1 2.803 . . 2 . . . . . 49 CYS HB1 . 16878 1 451 . 1 1 49 49 CYS HB3 H 1 2.706 . . 2 . . . . . 49 CYS HB2 . 16878 1 452 . 1 1 49 49 CYS CA C 13 65.055 . . 1 . . . . . 49 CYS CA . 16878 1 453 . 1 1 49 49 CYS CB C 13 28.780 . . 1 . . . . . 49 CYS CB . 16878 1 454 . 1 1 49 49 CYS N N 15 125.925 . . 1 . . . . . 49 CYS N . 16878 1 455 . 1 1 50 50 LEU H H 1 8.038 . . 1 . . . . . 50 LEU HN . 16878 1 456 . 1 1 50 50 LEU HA H 1 3.959 . . 1 . . . . . 50 LEU HA . 16878 1 457 . 1 1 50 50 LEU HB2 H 1 1.514 . . 2 . . . . . 50 LEU HB1 . 16878 1 458 . 1 1 50 50 LEU HB3 H 1 1.398 . . 2 . . . . . 50 LEU HB2 . 16878 1 459 . 1 1 50 50 LEU HD11 H 1 0.665 . . 2 . . . . . 50 LEU HD11 . 16878 1 460 . 1 1 50 50 LEU HD12 H 1 0.665 . . 2 . . . . . 50 LEU HD11 . 16878 1 461 . 1 1 50 50 LEU HD13 H 1 0.665 . . 2 . . . . . 50 LEU HD11 . 16878 1 462 . 1 1 50 50 LEU HD21 H 1 0.659 . . 2 . . . . . 50 LEU HD21 . 16878 1 463 . 1 1 50 50 LEU HD22 H 1 0.659 . . 2 . . . . . 50 LEU HD21 . 16878 1 464 . 1 1 50 50 LEU HD23 H 1 0.659 . . 2 . . . . . 50 LEU HD21 . 16878 1 465 . 1 1 50 50 LEU HG H 1 1.408 . . 1 . . . . . 50 LEU HG . 16878 1 466 . 1 1 50 50 LEU CA C 13 56.670 . . 1 . . . . . 50 LEU CA . 16878 1 467 . 1 1 50 50 LEU CB C 13 42.220 . . 1 . . . . . 50 LEU CB . 16878 1 468 . 1 1 50 50 LEU CD1 C 13 25.414 . . 1 . . . . . 50 LEU CD1 . 16878 1 469 . 1 1 50 50 LEU CD2 C 13 23.100 . . 1 . . . . . 50 LEU CD2 . 16878 1 470 . 1 1 50 50 LEU CG C 13 26.378 . . 1 . . . . . 50 LEU CG . 16878 1 471 . 1 1 50 50 LEU N N 15 119.740 . . 1 . . . . . 50 LEU N . 16878 1 472 . 1 1 51 51 GLN H H 1 7.650 . . 1 . . . . . 51 GLN HN . 16878 1 473 . 1 1 51 51 GLN HA H 1 4.145 . . 1 . . . . . 51 GLN HA . 16878 1 474 . 1 1 51 51 GLN HB2 H 1 2.121 . . 2 . . . . . 51 GLN HB1 . 16878 1 475 . 1 1 51 51 GLN HB3 H 1 2.054 . . 2 . . . . . 51 GLN HB2 . 16878 1 476 . 1 1 51 51 GLN HG2 H 1 2.432 . . 2 . . . . . 51 GLN HG1 . 16878 1 477 . 1 1 51 51 GLN HG3 H 1 2.378 . . 2 . . . . . 51 GLN HG2 . 16878 1 478 . 1 1 51 51 GLN CA C 13 56.890 . . 1 . . . . . 51 GLN CA . 16878 1 479 . 1 1 51 51 GLN CB C 13 29.050 . . 1 . . . . . 51 GLN CB . 16878 1 480 . 1 1 51 51 GLN CG C 13 33.800 . . 1 . . . . . 51 GLN CG . 16878 1 481 . 1 1 51 51 GLN N N 15 118.400 . . 1 . . . . . 51 GLN N . 16878 1 482 . 1 1 52 52 ALA H H 1 7.720 . . 1 . . . . . 52 ALA HN . 16878 1 483 . 1 1 52 52 ALA HA H 1 4.301 . . 1 . . . . . 52 ALA HA . 16878 1 484 . 1 1 52 52 ALA HB1 H 1 1.394 . . 1 . . . . . 52 ALA HB1 . 16878 1 485 . 1 1 52 52 ALA HB2 H 1 1.394 . . 1 . . . . . 52 ALA HB1 . 16878 1 486 . 1 1 52 52 ALA HB3 H 1 1.394 . . 1 . . . . . 52 ALA HB1 . 16878 1 487 . 1 1 52 52 ALA CA C 13 53.080 . . 1 . . . . . 52 ALA CA . 16878 1 488 . 1 1 52 52 ALA CB C 13 19.400 . . 1 . . . . . 52 ALA CB . 16878 1 489 . 1 1 52 52 ALA N N 15 122.740 . . 1 . . . . . 52 ALA N . 16878 1 490 . 1 1 53 53 THR H H 1 7.913 . . 1 . . . . . 53 THR HN . 16878 1 491 . 1 1 53 53 THR HA H 1 4.281 . . 1 . . . . . 53 THR HA . 16878 1 492 . 1 1 53 53 THR HB H 1 4.154 . . 1 . . . . . 53 THR HB . 16878 1 493 . 1 1 53 53 THR HG21 H 1 1.180 . . 1 . . . . . 53 THR HG21 . 16878 1 494 . 1 1 53 53 THR HG22 H 1 1.180 . . 1 . . . . . 53 THR HG21 . 16878 1 495 . 1 1 53 53 THR HG23 H 1 1.180 . . 1 . . . . . 53 THR HG21 . 16878 1 496 . 1 1 53 53 THR CA C 13 62.346 . . 1 . . . . . 53 THR CA . 16878 1 497 . 1 1 53 53 THR CB C 13 70.080 . . 1 . . . . . 53 THR CB . 16878 1 498 . 1 1 53 53 THR CG2 C 13 21.580 . . 1 . . . . . 53 THR CG2 . 16878 1 499 . 1 1 53 53 THR N N 15 112.960 . . 1 . . . . . 53 THR N . 16878 1 500 . 1 1 54 54 VAL H H 1 8.054 . . 1 . . . . . 54 VAL HN . 16878 1 501 . 1 1 54 54 VAL HA H 1 4.083 . . 1 . . . . . 54 VAL HA . 16878 1 502 . 1 1 54 54 VAL HB H 1 2.044 . . 1 . . . . . 54 VAL HB . 16878 1 503 . 1 1 54 54 VAL HG11 H 1 0.901 . . 2 . . . . . 54 VAL HG11 . 16878 1 504 . 1 1 54 54 VAL HG12 H 1 0.901 . . 2 . . . . . 54 VAL HG11 . 16878 1 505 . 1 1 54 54 VAL HG13 H 1 0.901 . . 2 . . . . . 54 VAL HG11 . 16878 1 506 . 1 1 54 54 VAL HG21 H 1 0.901 . . 2 . . . . . 54 VAL HG21 . 16878 1 507 . 1 1 54 54 VAL HG22 H 1 0.901 . . 2 . . . . . 54 VAL HG21 . 16878 1 508 . 1 1 54 54 VAL HG23 H 1 0.901 . . 2 . . . . . 54 VAL HG21 . 16878 1 509 . 1 1 54 54 VAL CA C 13 62.503 . . 1 . . . . . 54 VAL CA . 16878 1 510 . 1 1 54 54 VAL CB C 13 32.973 . . 1 . . . . . 54 VAL CB . 16878 1 511 . 1 1 54 54 VAL CG1 C 13 21.100 . . 1 . . . . . 54 VAL CG1 . 16878 1 512 . 1 1 54 54 VAL CG2 C 13 20.620 . . 1 . . . . . 54 VAL CG2 . 16878 1 513 . 1 1 54 54 VAL N N 15 123.078 . . 1 . . . . . 54 VAL N . 16878 1 514 . 1 1 55 55 GLN H H 1 8.429 . . 1 . . . . . 55 GLN HN . 16878 1 515 . 1 1 55 55 GLN HA H 1 4.342 . . 1 . . . . . 55 GLN HA . 16878 1 516 . 1 1 55 55 GLN HB2 H 1 2.080 . . 2 . . . . . 55 GLN HB1 . 16878 1 517 . 1 1 55 55 GLN HB3 H 1 1.935 . . 2 . . . . . 55 GLN HB2 . 16878 1 518 . 1 1 55 55 GLN HG2 H 1 2.320 . . 2 . . . . . 55 GLN HG1 . 16878 1 519 . 1 1 55 55 GLN CA C 13 55.820 . . 1 . . . . . 55 GLN CA . 16878 1 520 . 1 1 55 55 GLN CB C 13 29.944 . . 1 . . . . . 55 GLN CB . 16878 1 521 . 1 1 55 55 GLN N N 15 125.400 . . 1 . . . . . 55 GLN N . 16878 1 522 . 1 1 56 56 GLU H H 1 8.097 . . 1 . . . . . 56 GLU HN . 16878 1 523 . 1 1 56 56 GLU HA H 1 4.085 . . 1 . . . . . 56 GLU HA . 16878 1 524 . 1 1 56 56 GLU HB2 H 1 2.132 . . 2 . . . . . 56 GLU HB1 . 16878 1 525 . 1 1 56 56 GLU HB3 H 1 1.880 . . 2 . . . . . 56 GLU HB2 . 16878 1 526 . 1 1 56 56 GLU CA C 13 58.290 . . 1 . . . . . 56 GLU CA . 16878 1 527 . 1 1 56 56 GLU CB C 13 31.330 . . 1 . . . . . 56 GLU CB . 16878 1 528 . 1 1 56 56 GLU N N 15 128.690 . . 1 . . . . . 56 GLU N . 16878 1 stop_ save_