################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11150 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11150 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11150 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 $XWINNMR . . 11150 1 2 $NMRPipe . . 11150 1 3 $NMRVIEW . . 11150 1 4 $Kujira . . 11150 1 5 $CYANA . . 11150 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.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 7 7 GLY HA2 H 1 3.970 0.030 . 1 . . . . 7 GLY HA2 . 11150 1 2 . 1 1 7 7 GLY HA3 H 1 3.970 0.030 . 1 . . . . 7 GLY HA3 . 11150 1 3 . 1 1 7 7 GLY C C 13 174.208 0.300 . 1 . . . . 7 GLY C . 11150 1 4 . 1 1 7 7 GLY CA C 13 45.642 0.300 . 1 . . . . 7 GLY CA . 11150 1 5 . 1 1 8 8 TRP H H 1 8.077 0.030 . 1 . . . . 8 TRP H . 11150 1 6 . 1 1 8 8 TRP HA H 1 4.995 0.030 . 1 . . . . 8 TRP HA . 11150 1 7 . 1 1 8 8 TRP HB2 H 1 3.143 0.030 . 2 . . . . 8 TRP HB2 . 11150 1 8 . 1 1 8 8 TRP HB3 H 1 3.581 0.030 . 2 . . . . 8 TRP HB3 . 11150 1 9 . 1 1 8 8 TRP HD1 H 1 7.235 0.030 . 1 . . . . 8 TRP HD1 . 11150 1 10 . 1 1 8 8 TRP HE1 H 1 10.175 0.030 . 1 . . . . 8 TRP HE1 . 11150 1 11 . 1 1 8 8 TRP HE3 H 1 7.650 0.030 . 1 . . . . 8 TRP HE3 . 11150 1 12 . 1 1 8 8 TRP HH2 H 1 7.254 0.030 . 1 . . . . 8 TRP HH2 . 11150 1 13 . 1 1 8 8 TRP HZ2 H 1 7.526 0.030 . 1 . . . . 8 TRP HZ2 . 11150 1 14 . 1 1 8 8 TRP HZ3 H 1 7.115 0.030 . 1 . . . . 8 TRP HZ3 . 11150 1 15 . 1 1 8 8 TRP C C 13 175.052 0.300 . 1 . . . . 8 TRP C . 11150 1 16 . 1 1 8 8 TRP CA C 13 57.629 0.300 . 1 . . . . 8 TRP CA . 11150 1 17 . 1 1 8 8 TRP CB C 13 30.106 0.300 . 1 . . . . 8 TRP CB . 11150 1 18 . 1 1 8 8 TRP CD1 C 13 127.113 0.300 . 1 . . . . 8 TRP CD1 . 11150 1 19 . 1 1 8 8 TRP CE3 C 13 120.554 0.300 . 1 . . . . 8 TRP CE3 . 11150 1 20 . 1 1 8 8 TRP CH2 C 13 124.705 0.300 . 1 . . . . 8 TRP CH2 . 11150 1 21 . 1 1 8 8 TRP CZ2 C 13 115.157 0.300 . 1 . . . . 8 TRP CZ2 . 11150 1 22 . 1 1 8 8 TRP CZ3 C 13 122.378 0.300 . 1 . . . . 8 TRP CZ3 . 11150 1 23 . 1 1 8 8 TRP N N 15 118.332 0.300 . 1 . . . . 8 TRP N . 11150 1 24 . 1 1 8 8 TRP NE1 N 15 129.243 0.300 . 1 . . . . 8 TRP NE1 . 11150 1 25 . 1 1 9 9 THR H H 1 7.495 0.030 . 1 . . . . 9 THR H . 11150 1 26 . 1 1 9 9 THR HA H 1 4.650 0.030 . 1 . . . . 9 THR HA . 11150 1 27 . 1 1 9 9 THR HB H 1 4.146 0.030 . 1 . . . . 9 THR HB . 11150 1 28 . 1 1 9 9 THR HG21 H 1 1.059 0.030 . 1 . . . . 9 THR HG2 . 11150 1 29 . 1 1 9 9 THR HG22 H 1 1.059 0.030 . 1 . . . . 9 THR HG2 . 11150 1 30 . 1 1 9 9 THR HG23 H 1 1.059 0.030 . 1 . . . . 9 THR HG2 . 11150 1 31 . 1 1 9 9 THR C C 13 174.574 0.300 . 1 . . . . 9 THR C . 11150 1 32 . 1 1 9 9 THR CA C 13 59.458 0.300 . 1 . . . . 9 THR CA . 11150 1 33 . 1 1 9 9 THR CB C 13 71.298 0.300 . 1 . . . . 9 THR CB . 11150 1 34 . 1 1 9 9 THR CG2 C 13 21.685 0.300 . 1 . . . . 9 THR CG2 . 11150 1 35 . 1 1 9 9 THR N N 15 108.301 0.300 . 1 . . . . 9 THR N . 11150 1 36 . 1 1 10 10 CYS H H 1 9.791 0.030 . 1 . . . . 10 CYS H . 11150 1 37 . 1 1 10 10 CYS HA H 1 4.760 0.030 . 1 . . . . 10 CYS HA . 11150 1 38 . 1 1 10 10 CYS HB2 H 1 2.391 0.030 . 2 . . . . 10 CYS HB2 . 11150 1 39 . 1 1 10 10 CYS HB3 H 1 2.954 0.030 . 2 . . . . 10 CYS HB3 . 11150 1 40 . 1 1 10 10 CYS C C 13 173.774 0.300 . 1 . . . . 10 CYS C . 11150 1 41 . 1 1 10 10 CYS CA C 13 54.411 0.300 . 1 . . . . 10 CYS CA . 11150 1 42 . 1 1 10 10 CYS CB C 13 40.647 0.300 . 1 . . . . 10 CYS CB . 11150 1 43 . 1 1 10 10 CYS N N 15 118.419 0.300 . 1 . . . . 10 CYS N . 11150 1 44 . 1 1 11 11 ASN H H 1 6.916 0.030 . 1 . . . . 11 ASN H . 11150 1 45 . 1 1 11 11 ASN HA H 1 4.620 0.030 . 1 . . . . 11 ASN HA . 11150 1 46 . 1 1 11 11 ASN HB2 H 1 3.045 0.030 . 1 . . . . 11 ASN HB2 . 11150 1 47 . 1 1 11 11 ASN HB3 H 1 3.045 0.030 . 1 . . . . 11 ASN HB3 . 11150 1 48 . 1 1 11 11 ASN HD21 H 1 7.710 0.030 . 2 . . . . 11 ASN HD21 . 11150 1 49 . 1 1 11 11 ASN HD22 H 1 7.125 0.030 . 2 . . . . 11 ASN HD22 . 11150 1 50 . 1 1 11 11 ASN C C 13 174.679 0.300 . 1 . . . . 11 ASN C . 11150 1 51 . 1 1 11 11 ASN CA C 13 51.760 0.300 . 1 . . . . 11 ASN CA . 11150 1 52 . 1 1 11 11 ASN CB C 13 40.367 0.300 . 1 . . . . 11 ASN CB . 11150 1 53 . 1 1 11 11 ASN N N 15 115.171 0.300 . 1 . . . . 11 ASN N . 11150 1 54 . 1 1 11 11 ASN ND2 N 15 113.689 0.300 . 1 . . . . 11 ASN ND2 . 11150 1 55 . 1 1 12 12 LYS HA H 1 3.988 0.030 . 1 . . . . 12 LYS HA . 11150 1 56 . 1 1 12 12 LYS HB2 H 1 1.703 0.030 . 2 . . . . 12 LYS HB2 . 11150 1 57 . 1 1 12 12 LYS HB3 H 1 1.600 0.030 . 2 . . . . 12 LYS HB3 . 11150 1 58 . 1 1 12 12 LYS HD2 H 1 1.546 0.030 . 1 . . . . 12 LYS HD2 . 11150 1 59 . 1 1 12 12 LYS HD3 H 1 1.546 0.030 . 1 . . . . 12 LYS HD3 . 11150 1 60 . 1 1 12 12 LYS HE2 H 1 2.867 0.030 . 1 . . . . 12 LYS HE2 . 11150 1 61 . 1 1 12 12 LYS HE3 H 1 2.867 0.030 . 1 . . . . 12 LYS HE3 . 11150 1 62 . 1 1 12 12 LYS HG2 H 1 1.195 0.030 . 2 . . . . 12 LYS HG2 . 11150 1 63 . 1 1 12 12 LYS HG3 H 1 1.058 0.030 . 2 . . . . 12 LYS HG3 . 11150 1 64 . 1 1 12 12 LYS C C 13 177.597 0.300 . 1 . . . . 12 LYS C . 11150 1 65 . 1 1 12 12 LYS CA C 13 59.582 0.300 . 1 . . . . 12 LYS CA . 11150 1 66 . 1 1 12 12 LYS CB C 13 31.909 0.300 . 1 . . . . 12 LYS CB . 11150 1 67 . 1 1 12 12 LYS CD C 13 28.993 0.300 . 1 . . . . 12 LYS CD . 11150 1 68 . 1 1 12 12 LYS CE C 13 42.118 0.300 . 1 . . . . 12 LYS CE . 11150 1 69 . 1 1 12 12 LYS CG C 13 24.125 0.300 . 1 . . . . 12 LYS CG . 11150 1 70 . 1 1 13 13 PHE H H 1 7.901 0.030 . 1 . . . . 13 PHE H . 11150 1 71 . 1 1 13 13 PHE HA H 1 4.420 0.030 . 1 . . . . 13 PHE HA . 11150 1 72 . 1 1 13 13 PHE HB2 H 1 3.264 0.030 . 2 . . . . 13 PHE HB2 . 11150 1 73 . 1 1 13 13 PHE HB3 H 1 3.147 0.030 . 2 . . . . 13 PHE HB3 . 11150 1 74 . 1 1 13 13 PHE HD1 H 1 7.268 0.030 . 1 . . . . 13 PHE HD1 . 11150 1 75 . 1 1 13 13 PHE HD2 H 1 7.268 0.030 . 1 . . . . 13 PHE HD2 . 11150 1 76 . 1 1 13 13 PHE HE1 H 1 7.390 0.030 . 1 . . . . 13 PHE HE1 . 11150 1 77 . 1 1 13 13 PHE HE2 H 1 7.390 0.030 . 1 . . . . 13 PHE HE2 . 11150 1 78 . 1 1 13 13 PHE HZ H 1 7.325 0.030 . 1 . . . . 13 PHE HZ . 11150 1 79 . 1 1 13 13 PHE C C 13 177.225 0.300 . 1 . . . . 13 PHE C . 11150 1 80 . 1 1 13 13 PHE CA C 13 59.646 0.300 . 1 . . . . 13 PHE CA . 11150 1 81 . 1 1 13 13 PHE CB C 13 38.401 0.300 . 1 . . . . 13 PHE CB . 11150 1 82 . 1 1 13 13 PHE CD1 C 13 131.695 0.300 . 1 . . . . 13 PHE CD1 . 11150 1 83 . 1 1 13 13 PHE CD2 C 13 131.695 0.300 . 1 . . . . 13 PHE CD2 . 11150 1 84 . 1 1 13 13 PHE CE1 C 13 131.607 0.300 . 1 . . . . 13 PHE CE1 . 11150 1 85 . 1 1 13 13 PHE CE2 C 13 131.607 0.300 . 1 . . . . 13 PHE CE2 . 11150 1 86 . 1 1 13 13 PHE CZ C 13 130.098 0.300 . 1 . . . . 13 PHE CZ . 11150 1 87 . 1 1 13 13 PHE N N 15 117.375 0.300 . 1 . . . . 13 PHE N . 11150 1 88 . 1 1 14 14 ARG H H 1 7.843 0.030 . 1 . . . . 14 ARG H . 11150 1 89 . 1 1 14 14 ARG HA H 1 4.264 0.030 . 1 . . . . 14 ARG HA . 11150 1 90 . 1 1 14 14 ARG HB2 H 1 1.576 0.030 . 2 . . . . 14 ARG HB2 . 11150 1 91 . 1 1 14 14 ARG HB3 H 1 2.226 0.030 . 2 . . . . 14 ARG HB3 . 11150 1 92 . 1 1 14 14 ARG HD2 H 1 3.515 0.030 . 2 . . . . 14 ARG HD2 . 11150 1 93 . 1 1 14 14 ARG HD3 H 1 3.177 0.030 . 2 . . . . 14 ARG HD3 . 11150 1 94 . 1 1 14 14 ARG HE H 1 8.603 0.030 . 1 . . . . 14 ARG HE . 11150 1 95 . 1 1 14 14 ARG HG2 H 1 1.753 0.030 . 2 . . . . 14 ARG HG2 . 11150 1 96 . 1 1 14 14 ARG HG3 H 1 2.244 0.030 . 2 . . . . 14 ARG HG3 . 11150 1 97 . 1 1 14 14 ARG C C 13 176.660 0.300 . 1 . . . . 14 ARG C . 11150 1 98 . 1 1 14 14 ARG CA C 13 57.771 0.300 . 1 . . . . 14 ARG CA . 11150 1 99 . 1 1 14 14 ARG CB C 13 33.888 0.300 . 1 . . . . 14 ARG CB . 11150 1 100 . 1 1 14 14 ARG CD C 13 43.833 0.300 . 1 . . . . 14 ARG CD . 11150 1 101 . 1 1 14 14 ARG CG C 13 27.198 0.300 . 1 . . . . 14 ARG CG . 11150 1 102 . 1 1 14 14 ARG N N 15 116.277 0.300 . 1 . . . . 14 ARG N . 11150 1 103 . 1 1 14 14 ARG NE N 15 85.045 0.300 . 1 . . . . 14 ARG NE . 11150 1 104 . 1 1 15 15 CYS H H 1 7.473 0.030 . 1 . . . . 15 CYS H . 11150 1 105 . 1 1 15 15 CYS HA H 1 4.739 0.030 . 1 . . . . 15 CYS HA . 11150 1 106 . 1 1 15 15 CYS HB2 H 1 2.790 0.030 . 2 . . . . 15 CYS HB2 . 11150 1 107 . 1 1 15 15 CYS HB3 H 1 3.331 0.030 . 2 . . . . 15 CYS HB3 . 11150 1 108 . 1 1 15 15 CYS C C 13 176.639 0.300 . 1 . . . . 15 CYS C . 11150 1 109 . 1 1 15 15 CYS CA C 13 56.391 0.300 . 1 . . . . 15 CYS CA . 11150 1 110 . 1 1 15 15 CYS CB C 13 36.172 0.300 . 1 . . . . 15 CYS CB . 11150 1 111 . 1 1 15 15 CYS N N 15 117.190 0.300 . 1 . . . . 15 CYS N . 11150 1 112 . 1 1 16 16 GLY H H 1 8.874 0.030 . 1 . . . . 16 GLY H . 11150 1 113 . 1 1 16 16 GLY HA2 H 1 3.941 0.030 . 2 . . . . 16 GLY HA2 . 11150 1 114 . 1 1 16 16 GLY HA3 H 1 4.163 0.030 . 2 . . . . 16 GLY HA3 . 11150 1 115 . 1 1 16 16 GLY C C 13 174.679 0.300 . 1 . . . . 16 GLY C . 11150 1 116 . 1 1 16 16 GLY CA C 13 46.055 0.300 . 1 . . . . 16 GLY CA . 11150 1 117 . 1 1 16 16 GLY N N 15 112.960 0.300 . 1 . . . . 16 GLY N . 11150 1 118 . 1 1 17 17 GLU H H 1 7.886 0.030 . 1 . . . . 17 GLU H . 11150 1 119 . 1 1 17 17 GLU HA H 1 4.199 0.030 . 1 . . . . 17 GLU HA . 11150 1 120 . 1 1 17 17 GLU HB2 H 1 2.033 0.030 . 2 . . . . 17 GLU HB2 . 11150 1 121 . 1 1 17 17 GLU HB3 H 1 2.432 0.030 . 2 . . . . 17 GLU HB3 . 11150 1 122 . 1 1 17 17 GLU HG2 H 1 2.141 0.030 . 2 . . . . 17 GLU HG2 . 11150 1 123 . 1 1 17 17 GLU HG3 H 1 1.982 0.030 . 2 . . . . 17 GLU HG3 . 11150 1 124 . 1 1 17 17 GLU C C 13 176.086 0.300 . 1 . . . . 17 GLU C . 11150 1 125 . 1 1 17 17 GLU CA C 13 55.259 0.300 . 1 . . . . 17 GLU CA . 11150 1 126 . 1 1 17 17 GLU CB C 13 28.867 0.300 . 1 . . . . 17 GLU CB . 11150 1 127 . 1 1 17 17 GLU CG C 13 34.465 0.300 . 1 . . . . 17 GLU CG . 11150 1 128 . 1 1 17 17 GLU N N 15 118.746 0.300 . 1 . . . . 17 GLU N . 11150 1 129 . 1 1 18 18 LYS H H 1 8.333 0.030 . 1 . . . . 18 LYS H . 11150 1 130 . 1 1 18 18 LYS HA H 1 4.319 0.030 . 1 . . . . 18 LYS HA . 11150 1 131 . 1 1 18 18 LYS HB2 H 1 1.736 0.030 . 1 . . . . 18 LYS HB2 . 11150 1 132 . 1 1 18 18 LYS HB3 H 1 1.736 0.030 . 1 . . . . 18 LYS HB3 . 11150 1 133 . 1 1 18 18 LYS HD2 H 1 1.690 0.030 . 1 . . . . 18 LYS HD2 . 11150 1 134 . 1 1 18 18 LYS HD3 H 1 1.690 0.030 . 1 . . . . 18 LYS HD3 . 11150 1 135 . 1 1 18 18 LYS HE2 H 1 2.987 0.030 . 1 . . . . 18 LYS HE2 . 11150 1 136 . 1 1 18 18 LYS HE3 H 1 2.987 0.030 . 1 . . . . 18 LYS HE3 . 11150 1 137 . 1 1 18 18 LYS HG2 H 1 1.530 0.030 . 2 . . . . 18 LYS HG2 . 11150 1 138 . 1 1 18 18 LYS HG3 H 1 1.457 0.030 . 2 . . . . 18 LYS HG3 . 11150 1 139 . 1 1 18 18 LYS C C 13 176.787 0.300 . 1 . . . . 18 LYS C . 11150 1 140 . 1 1 18 18 LYS CA C 13 55.613 0.300 . 1 . . . . 18 LYS CA . 11150 1 141 . 1 1 18 18 LYS CB C 13 32.580 0.300 . 1 . . . . 18 LYS CB . 11150 1 142 . 1 1 18 18 LYS CD C 13 29.040 0.300 . 1 . . . . 18 LYS CD . 11150 1 143 . 1 1 18 18 LYS CE C 13 42.213 0.300 . 1 . . . . 18 LYS CE . 11150 1 144 . 1 1 18 18 LYS CG C 13 25.020 0.300 . 1 . . . . 18 LYS CG . 11150 1 145 . 1 1 18 18 LYS N N 15 122.140 0.300 . 1 . . . . 18 LYS N . 11150 1 146 . 1 1 19 19 ARG H H 1 8.546 0.030 . 1 . . . . 19 ARG H . 11150 1 147 . 1 1 19 19 ARG HA H 1 4.200 0.030 . 1 . . . . 19 ARG HA . 11150 1 148 . 1 1 19 19 ARG HB2 H 1 1.779 0.030 . 2 . . . . 19 ARG HB2 . 11150 1 149 . 1 1 19 19 ARG HB3 H 1 1.683 0.030 . 2 . . . . 19 ARG HB3 . 11150 1 150 . 1 1 19 19 ARG HD2 H 1 3.183 0.030 . 2 . . . . 19 ARG HD2 . 11150 1 151 . 1 1 19 19 ARG HD3 H 1 2.952 0.030 . 2 . . . . 19 ARG HD3 . 11150 1 152 . 1 1 19 19 ARG HE H 1 8.457 0.030 . 1 . . . . 19 ARG HE . 11150 1 153 . 1 1 19 19 ARG HG2 H 1 1.522 0.030 . 2 . . . . 19 ARG HG2 . 11150 1 154 . 1 1 19 19 ARG HG3 H 1 1.408 0.030 . 2 . . . . 19 ARG HG3 . 11150 1 155 . 1 1 19 19 ARG C C 13 176.416 0.300 . 1 . . . . 19 ARG C . 11150 1 156 . 1 1 19 19 ARG CA C 13 56.887 0.300 . 1 . . . . 19 ARG CA . 11150 1 157 . 1 1 19 19 ARG CB C 13 30.157 0.300 . 1 . . . . 19 ARG CB . 11150 1 158 . 1 1 19 19 ARG CD C 13 42.540 0.300 . 1 . . . . 19 ARG CD . 11150 1 159 . 1 1 19 19 ARG CG C 13 27.990 0.300 . 1 . . . . 19 ARG CG . 11150 1 160 . 1 1 19 19 ARG N N 15 124.385 0.300 . 1 . . . . 19 ARG N . 11150 1 161 . 1 1 19 19 ARG NE N 15 84.269 0.300 . 1 . . . . 19 ARG NE . 11150 1 162 . 1 1 20 20 LEU H H 1 8.415 0.030 . 1 . . . . 20 LEU H . 11150 1 163 . 1 1 20 20 LEU HA H 1 4.496 0.030 . 1 . . . . 20 LEU HA . 11150 1 164 . 1 1 20 20 LEU HB2 H 1 1.659 0.030 . 2 . . . . 20 LEU HB2 . 11150 1 165 . 1 1 20 20 LEU HB3 H 1 1.590 0.030 . 2 . . . . 20 LEU HB3 . 11150 1 166 . 1 1 20 20 LEU HD11 H 1 0.950 0.030 . 1 . . . . 20 LEU HD1 . 11150 1 167 . 1 1 20 20 LEU HD12 H 1 0.950 0.030 . 1 . . . . 20 LEU HD1 . 11150 1 168 . 1 1 20 20 LEU HD13 H 1 0.950 0.030 . 1 . . . . 20 LEU HD1 . 11150 1 169 . 1 1 20 20 LEU HD21 H 1 0.891 0.030 . 1 . . . . 20 LEU HD2 . 11150 1 170 . 1 1 20 20 LEU HD22 H 1 0.891 0.030 . 1 . . . . 20 LEU HD2 . 11150 1 171 . 1 1 20 20 LEU HD23 H 1 0.891 0.030 . 1 . . . . 20 LEU HD2 . 11150 1 172 . 1 1 20 20 LEU HG H 1 1.658 0.030 . 1 . . . . 20 LEU HG . 11150 1 173 . 1 1 20 20 LEU C C 13 174.436 0.300 . 1 . . . . 20 LEU C . 11150 1 174 . 1 1 20 20 LEU CA C 13 54.552 0.300 . 1 . . . . 20 LEU CA . 11150 1 175 . 1 1 20 20 LEU CB C 13 43.495 0.300 . 1 . . . . 20 LEU CB . 11150 1 176 . 1 1 20 20 LEU CD1 C 13 25.330 0.300 . 2 . . . . 20 LEU CD1 . 11150 1 177 . 1 1 20 20 LEU CD2 C 13 23.233 0.300 . 2 . . . . 20 LEU CD2 . 11150 1 178 . 1 1 20 20 LEU CG C 13 26.916 0.300 . 1 . . . . 20 LEU CG . 11150 1 179 . 1 1 20 20 LEU N N 15 127.169 0.300 . 1 . . . . 20 LEU N . 11150 1 180 . 1 1 21 21 THR H H 1 8.155 0.030 . 1 . . . . 21 THR H . 11150 1 181 . 1 1 21 21 THR HA H 1 4.178 0.030 . 1 . . . . 21 THR HA . 11150 1 182 . 1 1 21 21 THR HB H 1 4.142 0.030 . 1 . . . . 21 THR HB . 11150 1 183 . 1 1 21 21 THR HG21 H 1 1.204 0.030 . 1 . . . . 21 THR HG2 . 11150 1 184 . 1 1 21 21 THR HG22 H 1 1.204 0.030 . 1 . . . . 21 THR HG2 . 11150 1 185 . 1 1 21 21 THR HG23 H 1 1.204 0.030 . 1 . . . . 21 THR HG2 . 11150 1 186 . 1 1 21 21 THR CA C 13 62.877 0.300 . 1 . . . . 21 THR CA . 11150 1 187 . 1 1 21 21 THR CB C 13 69.565 0.300 . 1 . . . . 21 THR CB . 11150 1 188 . 1 1 21 21 THR CG2 C 13 21.722 0.300 . 1 . . . . 21 THR CG2 . 11150 1 189 . 1 1 21 21 THR N N 15 120.568 0.300 . 1 . . . . 21 THR N . 11150 1 190 . 1 1 22 22 ARG HA H 1 4.350 0.030 . 1 . . . . 22 ARG HA . 11150 1 191 . 1 1 22 22 ARG HB2 H 1 1.853 0.030 . 2 . . . . 22 ARG HB2 . 11150 1 192 . 1 1 22 22 ARG HB3 H 1 1.734 0.030 . 2 . . . . 22 ARG HB3 . 11150 1 193 . 1 1 22 22 ARG HD2 H 1 3.165 0.030 . 1 . . . . 22 ARG HD2 . 11150 1 194 . 1 1 22 22 ARG HD3 H 1 3.165 0.030 . 1 . . . . 22 ARG HD3 . 11150 1 195 . 1 1 22 22 ARG HG2 H 1 1.596 0.030 . 2 . . . . 22 ARG HG2 . 11150 1 196 . 1 1 22 22 ARG HG3 H 1 1.549 0.030 . 2 . . . . 22 ARG HG3 . 11150 1 197 . 1 1 22 22 ARG C C 13 175.505 0.300 . 1 . . . . 22 ARG C . 11150 1 198 . 1 1 22 22 ARG CA C 13 56.135 0.300 . 1 . . . . 22 ARG CA . 11150 1 199 . 1 1 22 22 ARG CB C 13 30.096 0.300 . 1 . . . . 22 ARG CB . 11150 1 200 . 1 1 22 22 ARG CD C 13 43.318 0.300 . 1 . . . . 22 ARG CD . 11150 1 201 . 1 1 22 22 ARG CG C 13 27.214 0.300 . 1 . . . . 22 ARG CG . 11150 1 202 . 1 1 23 23 SER H H 1 8.025 0.030 . 1 . . . . 23 SER H . 11150 1 203 . 1 1 23 23 SER HA H 1 4.422 0.030 . 1 . . . . 23 SER HA . 11150 1 204 . 1 1 23 23 SER HB2 H 1 3.878 0.030 . 1 . . . . 23 SER HB2 . 11150 1 205 . 1 1 23 23 SER HB3 H 1 3.878 0.030 . 1 . . . . 23 SER HB3 . 11150 1 206 . 1 1 23 23 SER C C 13 174.073 0.300 . 1 . . . . 23 SER C . 11150 1 207 . 1 1 23 23 SER CA C 13 57.792 0.300 . 1 . . . . 23 SER CA . 11150 1 208 . 1 1 23 23 SER CB C 13 64.392 0.300 . 1 . . . . 23 SER CB . 11150 1 209 . 1 1 23 23 SER N N 15 117.226 0.300 . 1 . . . . 23 SER N . 11150 1 210 . 1 1 24 24 LEU H H 1 8.357 0.030 . 1 . . . . 24 LEU H . 11150 1 211 . 1 1 24 24 LEU HA H 1 3.911 0.030 . 1 . . . . 24 LEU HA . 11150 1 212 . 1 1 24 24 LEU HB2 H 1 0.397 0.030 . 2 . . . . 24 LEU HB2 . 11150 1 213 . 1 1 24 24 LEU HB3 H 1 1.058 0.030 . 2 . . . . 24 LEU HB3 . 11150 1 214 . 1 1 24 24 LEU HD11 H 1 0.324 0.030 . 1 . . . . 24 LEU HD1 . 11150 1 215 . 1 1 24 24 LEU HD12 H 1 0.324 0.030 . 1 . . . . 24 LEU HD1 . 11150 1 216 . 1 1 24 24 LEU HD13 H 1 0.324 0.030 . 1 . . . . 24 LEU HD1 . 11150 1 217 . 1 1 24 24 LEU HD21 H 1 0.611 0.030 . 1 . . . . 24 LEU HD2 . 11150 1 218 . 1 1 24 24 LEU HD22 H 1 0.611 0.030 . 1 . . . . 24 LEU HD2 . 11150 1 219 . 1 1 24 24 LEU HD23 H 1 0.611 0.030 . 1 . . . . 24 LEU HD2 . 11150 1 220 . 1 1 24 24 LEU HG H 1 1.363 0.030 . 1 . . . . 24 LEU HG . 11150 1 221 . 1 1 24 24 LEU C C 13 176.913 0.300 . 1 . . . . 24 LEU C . 11150 1 222 . 1 1 24 24 LEU CA C 13 56.786 0.300 . 1 . . . . 24 LEU CA . 11150 1 223 . 1 1 24 24 LEU CB C 13 40.785 0.300 . 1 . . . . 24 LEU CB . 11150 1 224 . 1 1 24 24 LEU CD1 C 13 24.247 0.300 . 2 . . . . 24 LEU CD1 . 11150 1 225 . 1 1 24 24 LEU CD2 C 13 22.348 0.300 . 2 . . . . 24 LEU CD2 . 11150 1 226 . 1 1 24 24 LEU CG C 13 26.580 0.300 . 1 . . . . 24 LEU CG . 11150 1 227 . 1 1 24 24 LEU N N 15 123.169 0.300 . 1 . . . . 24 LEU N . 11150 1 228 . 1 1 25 25 CYS H H 1 7.603 0.030 . 1 . . . . 25 CYS H . 11150 1 229 . 1 1 25 25 CYS HA H 1 4.727 0.030 . 1 . . . . 25 CYS HA . 11150 1 230 . 1 1 25 25 CYS HB2 H 1 3.226 0.030 . 2 . . . . 25 CYS HB2 . 11150 1 231 . 1 1 25 25 CYS HB3 H 1 3.434 0.030 . 2 . . . . 25 CYS HB3 . 11150 1 232 . 1 1 25 25 CYS C C 13 171.317 0.300 . 1 . . . . 25 CYS C . 11150 1 233 . 1 1 25 25 CYS CA C 13 54.764 0.300 . 1 . . . . 25 CYS CA . 11150 1 234 . 1 1 25 25 CYS CB C 13 42.622 0.300 . 1 . . . . 25 CYS CB . 11150 1 235 . 1 1 25 25 CYS N N 15 110.770 0.300 . 1 . . . . 25 CYS N . 11150 1 236 . 1 1 26 26 ALA H H 1 8.994 0.030 . 1 . . . . 26 ALA H . 11150 1 237 . 1 1 26 26 ALA HA H 1 4.630 0.030 . 1 . . . . 26 ALA HA . 11150 1 238 . 1 1 26 26 ALA HB1 H 1 1.410 0.030 . 1 . . . . 26 ALA HB . 11150 1 239 . 1 1 26 26 ALA HB2 H 1 1.410 0.030 . 1 . . . . 26 ALA HB . 11150 1 240 . 1 1 26 26 ALA HB3 H 1 1.410 0.030 . 1 . . . . 26 ALA HB . 11150 1 241 . 1 1 26 26 ALA C C 13 176.849 0.300 . 1 . . . . 26 ALA C . 11150 1 242 . 1 1 26 26 ALA CA C 13 51.730 0.300 . 1 . . . . 26 ALA CA . 11150 1 243 . 1 1 26 26 ALA CB C 13 23.691 0.300 . 1 . . . . 26 ALA CB . 11150 1 244 . 1 1 26 26 ALA N N 15 123.657 0.300 . 1 . . . . 26 ALA N . 11150 1 245 . 1 1 27 27 CYS H H 1 8.747 0.030 . 1 . . . . 27 CYS H . 11150 1 246 . 1 1 27 27 CYS HA H 1 5.142 0.030 . 1 . . . . 27 CYS HA . 11150 1 247 . 1 1 27 27 CYS HB2 H 1 2.821 0.030 . 2 . . . . 27 CYS HB2 . 11150 1 248 . 1 1 27 27 CYS HB3 H 1 3.529 0.030 . 2 . . . . 27 CYS HB3 . 11150 1 249 . 1 1 27 27 CYS C C 13 173.397 0.300 . 1 . . . . 27 CYS C . 11150 1 250 . 1 1 27 27 CYS CA C 13 54.941 0.300 . 1 . . . . 27 CYS CA . 11150 1 251 . 1 1 27 27 CYS CB C 13 44.321 0.300 . 1 . . . . 27 CYS CB . 11150 1 252 . 1 1 27 27 CYS N N 15 116.189 0.300 . 1 . . . . 27 CYS N . 11150 1 253 . 1 1 28 28 SER H H 1 7.089 0.030 . 1 . . . . 28 SER H . 11150 1 254 . 1 1 28 28 SER HA H 1 4.479 0.030 . 1 . . . . 28 SER HA . 11150 1 255 . 1 1 28 28 SER HB2 H 1 4.015 0.030 . 1 . . . . 28 SER HB2 . 11150 1 256 . 1 1 28 28 SER HB3 H 1 4.015 0.030 . 1 . . . . 28 SER HB3 . 11150 1 257 . 1 1 28 28 SER C C 13 174.721 0.300 . 1 . . . . 28 SER C . 11150 1 258 . 1 1 28 28 SER CA C 13 56.938 0.300 . 1 . . . . 28 SER CA . 11150 1 259 . 1 1 28 28 SER CB C 13 64.990 0.300 . 1 . . . . 28 SER CB . 11150 1 260 . 1 1 28 28 SER N N 15 114.101 0.300 . 1 . . . . 28 SER N . 11150 1 261 . 1 1 29 29 ASP H H 1 9.005 0.030 . 1 . . . . 29 ASP H . 11150 1 262 . 1 1 29 29 ASP HA H 1 4.478 0.030 . 1 . . . . 29 ASP HA . 11150 1 263 . 1 1 29 29 ASP HB2 H 1 2.635 0.030 . 2 . . . . 29 ASP HB2 . 11150 1 264 . 1 1 29 29 ASP HB3 H 1 2.862 0.030 . 2 . . . . 29 ASP HB3 . 11150 1 265 . 1 1 29 29 ASP C C 13 177.050 0.300 . 1 . . . . 29 ASP C . 11150 1 266 . 1 1 29 29 ASP CA C 13 56.922 0.300 . 1 . . . . 29 ASP CA . 11150 1 267 . 1 1 29 29 ASP CB C 13 40.214 0.300 . 1 . . . . 29 ASP CB . 11150 1 268 . 1 1 29 29 ASP N N 15 120.000 0.300 . 1 . . . . 29 ASP N . 11150 1 269 . 1 1 30 30 ASP H H 1 7.903 0.030 . 1 . . . . 30 ASP H . 11150 1 270 . 1 1 30 30 ASP HA H 1 4.724 0.030 . 1 . . . . 30 ASP HA . 11150 1 271 . 1 1 30 30 ASP HB2 H 1 3.237 0.030 . 2 . . . . 30 ASP HB2 . 11150 1 272 . 1 1 30 30 ASP HB3 H 1 2.618 0.030 . 2 . . . . 30 ASP HB3 . 11150 1 273 . 1 1 30 30 ASP C C 13 178.814 0.300 . 1 . . . . 30 ASP C . 11150 1 274 . 1 1 30 30 ASP CA C 13 53.314 0.300 . 1 . . . . 30 ASP CA . 11150 1 275 . 1 1 30 30 ASP CB C 13 40.442 0.300 . 1 . . . . 30 ASP CB . 11150 1 276 . 1 1 30 30 ASP N N 15 117.519 0.300 . 1 . . . . 30 ASP N . 11150 1 277 . 1 1 31 31 CYS H H 1 7.904 0.030 . 1 . . . . 31 CYS H . 11150 1 278 . 1 1 31 31 CYS HA H 1 3.982 0.030 . 1 . . . . 31 CYS HA . 11150 1 279 . 1 1 31 31 CYS HB2 H 1 2.540 0.030 . 2 . . . . 31 CYS HB2 . 11150 1 280 . 1 1 31 31 CYS HB3 H 1 3.125 0.030 . 2 . . . . 31 CYS HB3 . 11150 1 281 . 1 1 31 31 CYS C C 13 176.205 0.300 . 1 . . . . 31 CYS C . 11150 1 282 . 1 1 31 31 CYS CA C 13 59.230 0.300 . 1 . . . . 31 CYS CA . 11150 1 283 . 1 1 31 31 CYS CB C 13 40.026 0.300 . 1 . . . . 31 CYS CB . 11150 1 284 . 1 1 31 31 CYS N N 15 120.010 0.300 . 1 . . . . 31 CYS N . 11150 1 285 . 1 1 32 32 LYS H H 1 8.116 0.030 . 1 . . . . 32 LYS H . 11150 1 286 . 1 1 32 32 LYS HA H 1 4.014 0.030 . 1 . . . . 32 LYS HA . 11150 1 287 . 1 1 32 32 LYS HB2 H 1 1.945 0.030 . 2 . . . . 32 LYS HB2 . 11150 1 288 . 1 1 32 32 LYS HB3 H 1 1.839 0.030 . 2 . . . . 32 LYS HB3 . 11150 1 289 . 1 1 32 32 LYS HD2 H 1 1.777 0.030 . 1 . . . . 32 LYS HD2 . 11150 1 290 . 1 1 32 32 LYS HD3 H 1 1.777 0.030 . 1 . . . . 32 LYS HD3 . 11150 1 291 . 1 1 32 32 LYS HE2 H 1 3.061 0.030 . 1 . . . . 32 LYS HE2 . 11150 1 292 . 1 1 32 32 LYS HE3 H 1 3.061 0.030 . 1 . . . . 32 LYS HE3 . 11150 1 293 . 1 1 32 32 LYS HG2 H 1 1.568 0.030 . 2 . . . . 32 LYS HG2 . 11150 1 294 . 1 1 32 32 LYS HG3 H 1 1.455 0.030 . 2 . . . . 32 LYS HG3 . 11150 1 295 . 1 1 32 32 LYS C C 13 179.407 0.300 . 1 . . . . 32 LYS C . 11150 1 296 . 1 1 32 32 LYS CA C 13 59.750 0.300 . 1 . . . . 32 LYS CA . 11150 1 297 . 1 1 32 32 LYS CB C 13 31.419 0.300 . 1 . . . . 32 LYS CB . 11150 1 298 . 1 1 32 32 LYS CD C 13 29.191 0.300 . 1 . . . . 32 LYS CD . 11150 1 299 . 1 1 32 32 LYS CE C 13 42.147 0.300 . 1 . . . . 32 LYS CE . 11150 1 300 . 1 1 32 32 LYS CG C 13 24.948 0.300 . 1 . . . . 32 LYS CG . 11150 1 301 . 1 1 32 32 LYS N N 15 124.710 0.300 . 1 . . . . 32 LYS N . 11150 1 302 . 1 1 33 33 ASP H H 1 7.723 0.030 . 1 . . . . 33 ASP H . 11150 1 303 . 1 1 33 33 ASP HA H 1 4.394 0.030 . 1 . . . . 33 ASP HA . 11150 1 304 . 1 1 33 33 ASP HB2 H 1 2.684 0.030 . 1 . . . . 33 ASP HB2 . 11150 1 305 . 1 1 33 33 ASP HB3 H 1 2.684 0.030 . 1 . . . . 33 ASP HB3 . 11150 1 306 . 1 1 33 33 ASP C C 13 177.839 0.300 . 1 . . . . 33 ASP C . 11150 1 307 . 1 1 33 33 ASP CA C 13 56.701 0.300 . 1 . . . . 33 ASP CA . 11150 1 308 . 1 1 33 33 ASP CB C 13 40.900 0.300 . 1 . . . . 33 ASP CB . 11150 1 309 . 1 1 33 33 ASP N N 15 119.843 0.300 . 1 . . . . 33 ASP N . 11150 1 310 . 1 1 34 34 GLN H H 1 7.613 0.030 . 1 . . . . 34 GLN H . 11150 1 311 . 1 1 34 34 GLN HA H 1 4.155 0.030 . 1 . . . . 34 GLN HA . 11150 1 312 . 1 1 34 34 GLN HB2 H 1 1.787 0.030 . 2 . . . . 34 GLN HB2 . 11150 1 313 . 1 1 34 34 GLN HB3 H 1 2.087 0.030 . 2 . . . . 34 GLN HB3 . 11150 1 314 . 1 1 34 34 GLN HE21 H 1 6.673 0.030 . 2 . . . . 34 GLN HE21 . 11150 1 315 . 1 1 34 34 GLN HE22 H 1 7.313 0.030 . 2 . . . . 34 GLN HE22 . 11150 1 316 . 1 1 34 34 GLN HG2 H 1 2.212 0.030 . 2 . . . . 34 GLN HG2 . 11150 1 317 . 1 1 34 34 GLN HG3 H 1 2.153 0.030 . 2 . . . . 34 GLN HG3 . 11150 1 318 . 1 1 34 34 GLN C C 13 176.648 0.300 . 1 . . . . 34 GLN C . 11150 1 319 . 1 1 34 34 GLN CA C 13 56.356 0.300 . 1 . . . . 34 GLN CA . 11150 1 320 . 1 1 34 34 GLN CB C 13 28.877 0.300 . 1 . . . . 34 GLN CB . 11150 1 321 . 1 1 34 34 GLN CG C 13 33.420 0.300 . 1 . . . . 34 GLN CG . 11150 1 322 . 1 1 34 34 GLN N N 15 115.833 0.300 . 1 . . . . 34 GLN N . 11150 1 323 . 1 1 34 34 GLN NE2 N 15 111.972 0.300 . 1 . . . . 34 GLN NE2 . 11150 1 324 . 1 1 35 35 GLY H H 1 8.124 0.030 . 1 . . . . 35 GLY H . 11150 1 325 . 1 1 35 35 GLY HA2 H 1 4.109 0.030 . 2 . . . . 35 GLY HA2 . 11150 1 326 . 1 1 35 35 GLY HA3 H 1 3.966 0.030 . 2 . . . . 35 GLY HA3 . 11150 1 327 . 1 1 35 35 GLY C C 13 175.054 0.300 . 1 . . . . 35 GLY C . 11150 1 328 . 1 1 35 35 GLY CA C 13 45.957 0.300 . 1 . . . . 35 GLY CA . 11150 1 329 . 1 1 35 35 GLY N N 15 108.025 0.300 . 1 . . . . 35 GLY N . 11150 1 330 . 1 1 36 36 ASP H H 1 8.406 0.030 . 1 . . . . 36 ASP H . 11150 1 331 . 1 1 36 36 ASP HA H 1 4.890 0.030 . 1 . . . . 36 ASP HA . 11150 1 332 . 1 1 36 36 ASP HB2 H 1 2.244 0.030 . 2 . . . . 36 ASP HB2 . 11150 1 333 . 1 1 36 36 ASP HB3 H 1 3.104 0.030 . 2 . . . . 36 ASP HB3 . 11150 1 334 . 1 1 36 36 ASP C C 13 176.239 0.300 . 1 . . . . 36 ASP C . 11150 1 335 . 1 1 36 36 ASP CA C 13 51.970 0.300 . 1 . . . . 36 ASP CA . 11150 1 336 . 1 1 36 36 ASP CB C 13 40.925 0.300 . 1 . . . . 36 ASP CB . 11150 1 337 . 1 1 36 36 ASP N N 15 118.575 0.300 . 1 . . . . 36 ASP N . 11150 1 338 . 1 1 37 37 CYS H H 1 8.102 0.030 . 1 . . . . 37 CYS H . 11150 1 339 . 1 1 37 37 CYS HA H 1 5.087 0.030 . 1 . . . . 37 CYS HA . 11150 1 340 . 1 1 37 37 CYS HB2 H 1 2.721 0.030 . 2 . . . . 37 CYS HB2 . 11150 1 341 . 1 1 37 37 CYS HB3 H 1 3.166 0.030 . 2 . . . . 37 CYS HB3 . 11150 1 342 . 1 1 37 37 CYS C C 13 178.399 0.300 . 1 . . . . 37 CYS C . 11150 1 343 . 1 1 37 37 CYS CA C 13 54.941 0.300 . 1 . . . . 37 CYS CA . 11150 1 344 . 1 1 37 37 CYS CB C 13 40.264 0.300 . 1 . . . . 37 CYS CB . 11150 1 345 . 1 1 37 37 CYS N N 15 118.507 0.300 . 1 . . . . 37 CYS N . 11150 1 346 . 1 1 38 38 CYS H H 1 8.558 0.030 . 1 . . . . 38 CYS H . 11150 1 347 . 1 1 38 38 CYS HA H 1 4.848 0.030 . 1 . . . . 38 CYS HA . 11150 1 348 . 1 1 38 38 CYS HB2 H 1 3.345 0.030 . 2 . . . . 38 CYS HB2 . 11150 1 349 . 1 1 38 38 CYS HB3 H 1 3.611 0.030 . 2 . . . . 38 CYS HB3 . 11150 1 350 . 1 1 38 38 CYS C C 13 176.963 0.300 . 1 . . . . 38 CYS C . 11150 1 351 . 1 1 38 38 CYS CA C 13 55.083 0.300 . 1 . . . . 38 CYS CA . 11150 1 352 . 1 1 38 38 CYS CB C 13 41.106 0.300 . 1 . . . . 38 CYS CB . 11150 1 353 . 1 1 38 38 CYS N N 15 120.758 0.300 . 1 . . . . 38 CYS N . 11150 1 354 . 1 1 39 39 ILE H H 1 9.172 0.030 . 1 . . . . 39 ILE H . 11150 1 355 . 1 1 39 39 ILE HA H 1 4.124 0.030 . 1 . . . . 39 ILE HA . 11150 1 356 . 1 1 39 39 ILE HB H 1 2.108 0.030 . 1 . . . . 39 ILE HB . 11150 1 357 . 1 1 39 39 ILE HD11 H 1 0.956 0.030 . 1 . . . . 39 ILE HD1 . 11150 1 358 . 1 1 39 39 ILE HD12 H 1 0.956 0.030 . 1 . . . . 39 ILE HD1 . 11150 1 359 . 1 1 39 39 ILE HD13 H 1 0.956 0.030 . 1 . . . . 39 ILE HD1 . 11150 1 360 . 1 1 39 39 ILE HG12 H 1 1.402 0.030 . 2 . . . . 39 ILE HG12 . 11150 1 361 . 1 1 39 39 ILE HG13 H 1 1.576 0.030 . 2 . . . . 39 ILE HG13 . 11150 1 362 . 1 1 39 39 ILE HG21 H 1 1.055 0.030 . 1 . . . . 39 ILE HG2 . 11150 1 363 . 1 1 39 39 ILE HG22 H 1 1.055 0.030 . 1 . . . . 39 ILE HG2 . 11150 1 364 . 1 1 39 39 ILE HG23 H 1 1.055 0.030 . 1 . . . . 39 ILE HG2 . 11150 1 365 . 1 1 39 39 ILE C C 13 175.658 0.300 . 1 . . . . 39 ILE C . 11150 1 366 . 1 1 39 39 ILE CA C 13 64.032 0.300 . 1 . . . . 39 ILE CA . 11150 1 367 . 1 1 39 39 ILE CB C 13 38.330 0.300 . 1 . . . . 39 ILE CB . 11150 1 368 . 1 1 39 39 ILE CD1 C 13 13.546 0.300 . 1 . . . . 39 ILE CD1 . 11150 1 369 . 1 1 39 39 ILE CG1 C 13 28.213 0.300 . 1 . . . . 39 ILE CG1 . 11150 1 370 . 1 1 39 39 ILE CG2 C 13 17.185 0.300 . 1 . . . . 39 ILE CG2 . 11150 1 371 . 1 1 39 39 ILE N N 15 122.045 0.300 . 1 . . . . 39 ILE N . 11150 1 372 . 1 1 40 40 ASN H H 1 7.925 0.030 . 1 . . . . 40 ASN H . 11150 1 373 . 1 1 40 40 ASN HA H 1 5.026 0.030 . 1 . . . . 40 ASN HA . 11150 1 374 . 1 1 40 40 ASN HB2 H 1 2.784 0.030 . 2 . . . . 40 ASN HB2 . 11150 1 375 . 1 1 40 40 ASN HB3 H 1 3.244 0.030 . 2 . . . . 40 ASN HB3 . 11150 1 376 . 1 1 40 40 ASN HD21 H 1 7.187 0.030 . 2 . . . . 40 ASN HD21 . 11150 1 377 . 1 1 40 40 ASN HD22 H 1 7.964 0.030 . 2 . . . . 40 ASN HD22 . 11150 1 378 . 1 1 40 40 ASN C C 13 175.797 0.300 . 1 . . . . 40 ASN C . 11150 1 379 . 1 1 40 40 ASN CA C 13 51.899 0.300 . 1 . . . . 40 ASN CA . 11150 1 380 . 1 1 40 40 ASN CB C 13 37.879 0.300 . 1 . . . . 40 ASN CB . 11150 1 381 . 1 1 40 40 ASN N N 15 117.515 0.300 . 1 . . . . 40 ASN N . 11150 1 382 . 1 1 40 40 ASN ND2 N 15 112.176 0.300 . 1 . . . . 40 ASN ND2 . 11150 1 383 . 1 1 41 41 TYR H H 1 7.900 0.030 . 1 . . . . 41 TYR H . 11150 1 384 . 1 1 41 41 TYR HA H 1 3.706 0.030 . 1 . . . . 41 TYR HA . 11150 1 385 . 1 1 41 41 TYR HB2 H 1 3.050 0.030 . 2 . . . . 41 TYR HB2 . 11150 1 386 . 1 1 41 41 TYR HB3 H 1 3.441 0.030 . 2 . . . . 41 TYR HB3 . 11150 1 387 . 1 1 41 41 TYR HD1 H 1 7.168 0.030 . 1 . . . . 41 TYR HD1 . 11150 1 388 . 1 1 41 41 TYR HD2 H 1 7.168 0.030 . 1 . . . . 41 TYR HD2 . 11150 1 389 . 1 1 41 41 TYR HE1 H 1 6.738 0.030 . 1 . . . . 41 TYR HE1 . 11150 1 390 . 1 1 41 41 TYR HE2 H 1 6.738 0.030 . 1 . . . . 41 TYR HE2 . 11150 1 391 . 1 1 41 41 TYR C C 13 177.097 0.300 . 1 . . . . 41 TYR C . 11150 1 392 . 1 1 41 41 TYR CA C 13 63.222 0.300 . 1 . . . . 41 TYR CA . 11150 1 393 . 1 1 41 41 TYR CB C 13 39.740 0.300 . 1 . . . . 41 TYR CB . 11150 1 394 . 1 1 41 41 TYR CD1 C 13 133.317 0.300 . 1 . . . . 41 TYR CD1 . 11150 1 395 . 1 1 41 41 TYR CD2 C 13 133.317 0.300 . 1 . . . . 41 TYR CD2 . 11150 1 396 . 1 1 41 41 TYR CE1 C 13 118.480 0.300 . 1 . . . . 41 TYR CE1 . 11150 1 397 . 1 1 41 41 TYR CE2 C 13 118.480 0.300 . 1 . . . . 41 TYR CE2 . 11150 1 398 . 1 1 41 41 TYR N N 15 121.018 0.300 . 1 . . . . 41 TYR N . 11150 1 399 . 1 1 42 42 SER H H 1 8.958 0.030 . 1 . . . . 42 SER H . 11150 1 400 . 1 1 42 42 SER HA H 1 3.921 0.030 . 1 . . . . 42 SER HA . 11150 1 401 . 1 1 42 42 SER HB2 H 1 3.810 0.030 . 1 . . . . 42 SER HB2 . 11150 1 402 . 1 1 42 42 SER HB3 H 1 3.810 0.030 . 1 . . . . 42 SER HB3 . 11150 1 403 . 1 1 42 42 SER C C 13 175.723 0.300 . 1 . . . . 42 SER C . 11150 1 404 . 1 1 42 42 SER CA C 13 62.505 0.300 . 1 . . . . 42 SER CA . 11150 1 405 . 1 1 42 42 SER CB C 13 61.864 0.300 . 1 . . . . 42 SER CB . 11150 1 406 . 1 1 42 42 SER N N 15 114.014 0.300 . 1 . . . . 42 SER N . 11150 1 407 . 1 1 43 43 SER H H 1 7.616 0.030 . 1 . . . . 43 SER H . 11150 1 408 . 1 1 43 43 SER HA H 1 4.307 0.030 . 1 . . . . 43 SER HA . 11150 1 409 . 1 1 43 43 SER HB2 H 1 3.868 0.030 . 2 . . . . 43 SER HB2 . 11150 1 410 . 1 1 43 43 SER HB3 H 1 3.831 0.030 . 2 . . . . 43 SER HB3 . 11150 1 411 . 1 1 43 43 SER C C 13 175.695 0.300 . 1 . . . . 43 SER C . 11150 1 412 . 1 1 43 43 SER CA C 13 60.091 0.300 . 1 . . . . 43 SER CA . 11150 1 413 . 1 1 43 43 SER CB C 13 63.300 0.300 . 1 . . . . 43 SER CB . 11150 1 414 . 1 1 43 43 SER N N 15 114.556 0.300 . 1 . . . . 43 SER N . 11150 1 415 . 1 1 44 44 VAL H H 1 7.611 0.030 . 1 . . . . 44 VAL H . 11150 1 416 . 1 1 44 44 VAL HA H 1 3.991 0.030 . 1 . . . . 44 VAL HA . 11150 1 417 . 1 1 44 44 VAL HB H 1 1.709 0.030 . 1 . . . . 44 VAL HB . 11150 1 418 . 1 1 44 44 VAL HG11 H 1 0.618 0.030 . 1 . . . . 44 VAL HG1 . 11150 1 419 . 1 1 44 44 VAL HG12 H 1 0.618 0.030 . 1 . . . . 44 VAL HG1 . 11150 1 420 . 1 1 44 44 VAL HG13 H 1 0.618 0.030 . 1 . . . . 44 VAL HG1 . 11150 1 421 . 1 1 44 44 VAL HG21 H 1 0.860 0.030 . 1 . . . . 44 VAL HG2 . 11150 1 422 . 1 1 44 44 VAL HG22 H 1 0.860 0.030 . 1 . . . . 44 VAL HG2 . 11150 1 423 . 1 1 44 44 VAL HG23 H 1 0.860 0.030 . 1 . . . . 44 VAL HG2 . 11150 1 424 . 1 1 44 44 VAL C C 13 176.768 0.300 . 1 . . . . 44 VAL C . 11150 1 425 . 1 1 44 44 VAL CA C 13 64.319 0.300 . 1 . . . . 44 VAL CA . 11150 1 426 . 1 1 44 44 VAL CB C 13 33.273 0.300 . 1 . . . . 44 VAL CB . 11150 1 427 . 1 1 44 44 VAL CG1 C 13 21.194 0.300 . 2 . . . . 44 VAL CG1 . 11150 1 428 . 1 1 44 44 VAL CG2 C 13 22.666 0.300 . 2 . . . . 44 VAL CG2 . 11150 1 429 . 1 1 44 44 VAL N N 15 117.833 0.300 . 1 . . . . 44 VAL N . 11150 1 430 . 1 1 45 45 CYS H H 1 8.209 0.030 . 1 . . . . 45 CYS H . 11150 1 431 . 1 1 45 45 CYS HA H 1 4.890 0.030 . 1 . . . . 45 CYS HA . 11150 1 432 . 1 1 45 45 CYS HB2 H 1 1.839 0.030 . 2 . . . . 45 CYS HB2 . 11150 1 433 . 1 1 45 45 CYS HB3 H 1 3.076 0.030 . 2 . . . . 45 CYS HB3 . 11150 1 434 . 1 1 45 45 CYS C C 13 175.809 0.300 . 1 . . . . 45 CYS C . 11150 1 435 . 1 1 45 45 CYS CA C 13 52.500 0.300 . 1 . . . . 45 CYS CA . 11150 1 436 . 1 1 45 45 CYS CB C 13 36.298 0.300 . 1 . . . . 45 CYS CB . 11150 1 437 . 1 1 45 45 CYS N N 15 114.986 0.300 . 1 . . . . 45 CYS N . 11150 1 438 . 1 1 46 46 GLN H H 1 7.276 0.030 . 1 . . . . 46 GLN H . 11150 1 439 . 1 1 46 46 GLN HA H 1 4.474 0.030 . 1 . . . . 46 GLN HA . 11150 1 440 . 1 1 46 46 GLN HB2 H 1 2.182 0.030 . 2 . . . . 46 GLN HB2 . 11150 1 441 . 1 1 46 46 GLN HB3 H 1 2.094 0.030 . 2 . . . . 46 GLN HB3 . 11150 1 442 . 1 1 46 46 GLN HE21 H 1 7.460 0.030 . 2 . . . . 46 GLN HE21 . 11150 1 443 . 1 1 46 46 GLN HE22 H 1 6.894 0.030 . 2 . . . . 46 GLN HE22 . 11150 1 444 . 1 1 46 46 GLN HG2 H 1 2.102 0.030 . 1 . . . . 46 GLN HG2 . 11150 1 445 . 1 1 46 46 GLN HG3 H 1 2.102 0.030 . 1 . . . . 46 GLN HG3 . 11150 1 446 . 1 1 46 46 GLN C C 13 176.178 0.300 . 1 . . . . 46 GLN C . 11150 1 447 . 1 1 46 46 GLN CA C 13 55.628 0.300 . 1 . . . . 46 GLN CA . 11150 1 448 . 1 1 46 46 GLN CB C 13 29.605 0.300 . 1 . . . . 46 GLN CB . 11150 1 449 . 1 1 46 46 GLN CG C 13 33.965 0.300 . 1 . . . . 46 GLN CG . 11150 1 450 . 1 1 46 46 GLN N N 15 118.265 0.300 . 1 . . . . 46 GLN N . 11150 1 451 . 1 1 46 46 GLN NE2 N 15 112.412 0.300 . 1 . . . . 46 GLN NE2 . 11150 1 452 . 1 1 47 47 GLY H H 1 7.977 0.030 . 1 . . . . 47 GLY H . 11150 1 453 . 1 1 47 47 GLY HA2 H 1 3.926 0.030 . 1 . . . . 47 GLY HA2 . 11150 1 454 . 1 1 47 47 GLY HA3 H 1 3.926 0.030 . 1 . . . . 47 GLY HA3 . 11150 1 455 . 1 1 47 47 GLY C C 13 174.307 0.300 . 1 . . . . 47 GLY C . 11150 1 456 . 1 1 47 47 GLY CA C 13 45.664 0.300 . 1 . . . . 47 GLY CA . 11150 1 457 . 1 1 47 47 GLY N N 15 108.870 0.300 . 1 . . . . 47 GLY N . 11150 1 458 . 1 1 48 48 GLU H H 1 8.259 0.030 . 1 . . . . 48 GLU H . 11150 1 459 . 1 1 48 48 GLU HA H 1 4.250 0.030 . 1 . . . . 48 GLU HA . 11150 1 460 . 1 1 48 48 GLU HB2 H 1 1.988 0.030 . 2 . . . . 48 GLU HB2 . 11150 1 461 . 1 1 48 48 GLU HB3 H 1 1.866 0.030 . 2 . . . . 48 GLU HB3 . 11150 1 462 . 1 1 48 48 GLU HG2 H 1 2.210 0.030 . 1 . . . . 48 GLU HG2 . 11150 1 463 . 1 1 48 48 GLU HG3 H 1 2.210 0.030 . 1 . . . . 48 GLU HG3 . 11150 1 464 . 1 1 48 48 GLU C C 13 176.685 0.300 . 1 . . . . 48 GLU C . 11150 1 465 . 1 1 48 48 GLU CA C 13 56.628 0.300 . 1 . . . . 48 GLU CA . 11150 1 466 . 1 1 48 48 GLU CB C 13 30.291 0.300 . 1 . . . . 48 GLU CB . 11150 1 467 . 1 1 48 48 GLU CG C 13 36.213 0.300 . 1 . . . . 48 GLU CG . 11150 1 468 . 1 1 48 48 GLU N N 15 120.798 0.300 . 1 . . . . 48 GLU N . 11150 1 469 . 1 1 49 49 LYS H H 1 8.433 0.030 . 1 . . . . 49 LYS H . 11150 1 470 . 1 1 49 49 LYS C C 13 176.865 0.300 . 1 . . . . 49 LYS C . 11150 1 471 . 1 1 49 49 LYS N N 15 122.848 0.300 . 1 . . . . 49 LYS N . 11150 1 472 . 1 1 53 53 PRO HA H 1 4.479 0.030 . 1 . . . . 53 PRO HA . 11150 1 473 . 1 1 53 53 PRO HB2 H 1 2.299 0.030 . 2 . . . . 53 PRO HB2 . 11150 1 474 . 1 1 53 53 PRO HB3 H 1 1.984 0.030 . 2 . . . . 53 PRO HB3 . 11150 1 475 . 1 1 53 53 PRO HD2 H 1 3.629 0.030 . 1 . . . . 53 PRO HD2 . 11150 1 476 . 1 1 53 53 PRO HD3 H 1 3.629 0.030 . 1 . . . . 53 PRO HD3 . 11150 1 477 . 1 1 53 53 PRO HG2 H 1 2.021 0.030 . 1 . . . . 53 PRO HG2 . 11150 1 478 . 1 1 53 53 PRO HG3 H 1 2.021 0.030 . 1 . . . . 53 PRO HG3 . 11150 1 479 . 1 1 53 53 PRO CA C 13 63.363 0.300 . 1 . . . . 53 PRO CA . 11150 1 480 . 1 1 53 53 PRO CB C 13 32.117 0.300 . 1 . . . . 53 PRO CB . 11150 1 481 . 1 1 53 53 PRO CD C 13 49.838 0.300 . 1 . . . . 53 PRO CD . 11150 1 482 . 1 1 53 53 PRO CG C 13 27.127 0.300 . 1 . . . . 53 PRO CG . 11150 1 stop_ save_