################################### # 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 10201 _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 10201 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10201 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 1 1 GLY CA C 13 43.752 0.300 . 1 . . . . 1 GLY CA . 10201 1 2 . 1 1 1 1 GLY HA2 H 1 3.869 0.030 . 2 . . . . 1 GLY HA2 . 10201 1 3 . 1 1 7 7 GLY CA C 13 45.395 0.300 . 1 . . . . 7 GLY CA . 10201 1 4 . 1 1 7 7 GLY HA3 H 1 4.028 0.030 . 1 . . . . 7 GLY HA3 . 10201 1 5 . 1 1 7 7 GLY C C 13 174.345 0.300 . 1 . . . . 7 GLY C . 10201 1 6 . 1 1 7 7 GLY HA2 H 1 4.028 0.030 . 1 . . . . 7 GLY HA2 . 10201 1 7 . 1 1 8 8 THR N N 15 114.076 0.300 . 1 . . . . 8 THR N . 10201 1 8 . 1 1 8 8 THR H H 1 8.041 0.030 . 1 . . . . 8 THR H . 10201 1 9 . 1 1 8 8 THR CA C 13 61.746 0.300 . 1 . . . . 8 THR CA . 10201 1 10 . 1 1 8 8 THR HA H 1 4.321 0.030 . 1 . . . . 8 THR HA . 10201 1 11 . 1 1 8 8 THR CB C 13 69.981 0.300 . 1 . . . . 8 THR CB . 10201 1 12 . 1 1 8 8 THR HB H 1 4.202 0.030 . 1 . . . . 8 THR HB . 10201 1 13 . 1 1 8 8 THR CG2 C 13 21.630 0.300 . 1 . . . . 8 THR CG2 . 10201 1 14 . 1 1 8 8 THR HG21 H 1 1.163 0.030 . 1 . . . . 8 THR HG2 . 10201 1 15 . 1 1 8 8 THR HG22 H 1 1.163 0.030 . 1 . . . . 8 THR HG2 . 10201 1 16 . 1 1 8 8 THR HG23 H 1 1.163 0.030 . 1 . . . . 8 THR HG2 . 10201 1 17 . 1 1 8 8 THR C C 13 174.522 0.300 . 1 . . . . 8 THR C . 10201 1 18 . 1 1 9 9 LYS N N 15 123.558 0.300 . 1 . . . . 9 LYS N . 10201 1 19 . 1 1 9 9 LYS H H 1 8.347 0.030 . 1 . . . . 9 LYS H . 10201 1 20 . 1 1 9 9 LYS CA C 13 56.456 0.300 . 1 . . . . 9 LYS CA . 10201 1 21 . 1 1 9 9 LYS HA H 1 4.243 0.030 . 1 . . . . 9 LYS HA . 10201 1 22 . 1 1 9 9 LYS CB C 13 32.910 0.300 . 1 . . . . 9 LYS CB . 10201 1 23 . 1 1 9 9 LYS HB3 H 1 1.750 0.030 . 2 . . . . 9 LYS HB3 . 10201 1 24 . 1 1 9 9 LYS CG C 13 24.664 0.300 . 1 . . . . 9 LYS CG . 10201 1 25 . 1 1 9 9 LYS HG3 H 1 1.364 0.030 . 1 . . . . 9 LYS HG3 . 10201 1 26 . 1 1 9 9 LYS CD C 13 29.035 0.300 . 1 . . . . 9 LYS CD . 10201 1 27 . 1 1 9 9 LYS HD3 H 1 1.652 0.030 . 1 . . . . 9 LYS HD3 . 10201 1 28 . 1 1 9 9 LYS CE C 13 42.117 0.300 . 1 . . . . 9 LYS CE . 10201 1 29 . 1 1 9 9 LYS C C 13 176.303 0.300 . 1 . . . . 9 LYS C . 10201 1 30 . 1 1 9 9 LYS HB2 H 1 1.699 0.030 . 2 . . . . 9 LYS HB2 . 10201 1 31 . 1 1 9 9 LYS HD2 H 1 1.652 0.030 . 1 . . . . 9 LYS HD2 . 10201 1 32 . 1 1 9 9 LYS HE2 H 1 2.931 0.030 . 2 . . . . 9 LYS HE2 . 10201 1 33 . 1 1 9 9 LYS HG2 H 1 1.364 0.030 . 1 . . . . 9 LYS HG2 . 10201 1 34 . 1 1 10 10 GLU N N 15 121.405 0.300 . 1 . . . . 10 GLU N . 10201 1 35 . 1 1 10 10 GLU H H 1 8.292 0.030 . 1 . . . . 10 GLU H . 10201 1 36 . 1 1 10 10 GLU CA C 13 56.554 0.300 . 1 . . . . 10 GLU CA . 10201 1 37 . 1 1 10 10 GLU HA H 1 4.132 0.030 . 1 . . . . 10 GLU HA . 10201 1 38 . 1 1 10 10 GLU CB C 13 30.305 0.300 . 1 . . . . 10 GLU CB . 10201 1 39 . 1 1 10 10 GLU HB3 H 1 1.890 0.030 . 2 . . . . 10 GLU HB3 . 10201 1 40 . 1 1 10 10 GLU CG C 13 36.239 0.300 . 1 . . . . 10 GLU CG . 10201 1 41 . 1 1 10 10 GLU HG3 H 1 2.196 0.030 . 2 . . . . 10 GLU HG3 . 10201 1 42 . 1 1 10 10 GLU C C 13 176.024 0.300 . 1 . . . . 10 GLU C . 10201 1 43 . 1 1 10 10 GLU HB2 H 1 1.819 0.030 . 2 . . . . 10 GLU HB2 . 10201 1 44 . 1 1 10 10 GLU HG2 H 1 2.129 0.030 . 2 . . . . 10 GLU HG2 . 10201 1 45 . 1 1 11 11 HIS N N 15 121.270 0.300 . 1 . . . . 11 HIS N . 10201 1 46 . 1 1 11 11 HIS H H 1 8.258 0.030 . 1 . . . . 11 HIS H . 10201 1 47 . 1 1 11 11 HIS CA C 13 53.734 0.300 . 1 . . . . 11 HIS CA . 10201 1 48 . 1 1 11 11 HIS HA H 1 4.831 0.030 . 1 . . . . 11 HIS HA . 10201 1 49 . 1 1 11 11 HIS CB C 13 31.178 0.300 . 1 . . . . 11 HIS CB . 10201 1 50 . 1 1 11 11 HIS HB3 H 1 2.974 0.030 . 2 . . . . 11 HIS HB3 . 10201 1 51 . 1 1 11 11 HIS CD2 C 13 119.177 0.300 . 1 . . . . 11 HIS CD2 . 10201 1 52 . 1 1 11 11 HIS HD2 H 1 6.885 0.030 . 1 . . . . 11 HIS HD2 . 10201 1 53 . 1 1 11 11 HIS CE1 C 13 138.338 0.300 . 1 . . . . 11 HIS CE1 . 10201 1 54 . 1 1 11 11 HIS HE1 H 1 7.787 0.030 . 1 . . . . 11 HIS HE1 . 10201 1 55 . 1 1 11 11 HIS C C 13 174.107 0.300 . 1 . . . . 11 HIS C . 10201 1 56 . 1 1 11 11 HIS HB2 H 1 2.860 0.030 . 2 . . . . 11 HIS HB2 . 10201 1 57 . 1 1 12 12 PRO CA C 13 63.651 0.300 . 1 . . . . 12 PRO CA . 10201 1 58 . 1 1 12 12 PRO HA H 1 4.301 0.030 . 1 . . . . 12 PRO HA . 10201 1 59 . 1 1 12 12 PRO CB C 13 32.098 0.300 . 1 . . . . 12 PRO CB . 10201 1 60 . 1 1 12 12 PRO HB3 H 1 2.022 0.030 . 2 . . . . 12 PRO HB3 . 10201 1 61 . 1 1 12 12 PRO CG C 13 26.859 0.300 . 1 . . . . 12 PRO CG . 10201 1 62 . 1 1 12 12 PRO HG3 H 1 1.844 0.030 . 2 . . . . 12 PRO HG3 . 10201 1 63 . 1 1 12 12 PRO CD C 13 50.769 0.300 . 1 . . . . 12 PRO CD . 10201 1 64 . 1 1 12 12 PRO HD3 H 1 3.749 0.030 . 2 . . . . 12 PRO HD3 . 10201 1 65 . 1 1 12 12 PRO C C 13 176.381 0.300 . 1 . . . . 12 PRO C . 10201 1 66 . 1 1 12 12 PRO HB2 H 1 1.160 0.030 . 2 . . . . 12 PRO HB2 . 10201 1 67 . 1 1 12 12 PRO HD2 H 1 3.643 0.030 . 2 . . . . 12 PRO HD2 . 10201 1 68 . 1 1 12 12 PRO HG2 H 1 1.656 0.030 . 2 . . . . 12 PRO HG2 . 10201 1 69 . 1 1 13 13 PHE N N 15 116.995 0.300 . 1 . . . . 13 PHE N . 10201 1 70 . 1 1 13 13 PHE H H 1 7.836 0.030 . 1 . . . . 13 PHE H . 10201 1 71 . 1 1 13 13 PHE CA C 13 57.114 0.300 . 1 . . . . 13 PHE CA . 10201 1 72 . 1 1 13 13 PHE HA H 1 4.804 0.030 . 1 . . . . 13 PHE HA . 10201 1 73 . 1 1 13 13 PHE CB C 13 39.642 0.300 . 1 . . . . 13 PHE CB . 10201 1 74 . 1 1 13 13 PHE HB3 H 1 3.019 0.030 . 1 . . . . 13 PHE HB3 . 10201 1 75 . 1 1 13 13 PHE CD1 C 13 131.695 0.300 . 1 . . . . 13 PHE CD1 . 10201 1 76 . 1 1 13 13 PHE HD1 H 1 7.131 0.030 . 1 . . . . 13 PHE HD1 . 10201 1 77 . 1 1 13 13 PHE CD2 C 13 131.695 0.300 . 1 . . . . 13 PHE CD2 . 10201 1 78 . 1 1 13 13 PHE HD2 H 1 7.131 0.030 . 1 . . . . 13 PHE HD2 . 10201 1 79 . 1 1 13 13 PHE CE1 C 13 131.568 0.300 . 1 . . . . 13 PHE CE1 . 10201 1 80 . 1 1 13 13 PHE HE1 H 1 7.365 0.030 . 1 . . . . 13 PHE HE1 . 10201 1 81 . 1 1 13 13 PHE CE2 C 13 131.568 0.300 . 1 . . . . 13 PHE CE2 . 10201 1 82 . 1 1 13 13 PHE HE2 H 1 7.365 0.030 . 1 . . . . 13 PHE HE2 . 10201 1 83 . 1 1 13 13 PHE CZ C 13 130.228 0.300 . 1 . . . . 13 PHE CZ . 10201 1 84 . 1 1 13 13 PHE HZ H 1 7.357 0.030 . 1 . . . . 13 PHE HZ . 10201 1 85 . 1 1 13 13 PHE C C 13 174.042 0.300 . 1 . . . . 13 PHE C . 10201 1 86 . 1 1 13 13 PHE HB2 H 1 3.019 0.030 . 1 . . . . 13 PHE HB2 . 10201 1 87 . 1 1 14 14 LYS N N 15 124.716 0.300 . 1 . . . . 14 LYS N . 10201 1 88 . 1 1 14 14 LYS H H 1 8.671 0.030 . 1 . . . . 14 LYS H . 10201 1 89 . 1 1 14 14 LYS CA C 13 55.018 0.300 . 1 . . . . 14 LYS CA . 10201 1 90 . 1 1 14 14 LYS HA H 1 4.973 0.030 . 1 . . . . 14 LYS HA . 10201 1 91 . 1 1 14 14 LYS CB C 13 36.127 0.300 . 1 . . . . 14 LYS CB . 10201 1 92 . 1 1 14 14 LYS HB3 H 1 1.748 0.030 . 2 . . . . 14 LYS HB3 . 10201 1 93 . 1 1 14 14 LYS CG C 13 24.362 0.300 . 1 . . . . 14 LYS CG . 10201 1 94 . 1 1 14 14 LYS HG3 H 1 1.114 0.030 . 1 . . . . 14 LYS HG3 . 10201 1 95 . 1 1 14 14 LYS CD C 13 29.623 0.300 . 1 . . . . 14 LYS CD . 10201 1 96 . 1 1 14 14 LYS HD3 H 1 1.584 0.030 . 1 . . . . 14 LYS HD3 . 10201 1 97 . 1 1 14 14 LYS CE C 13 42.047 0.300 . 1 . . . . 14 LYS CE . 10201 1 98 . 1 1 14 14 LYS HE3 H 1 2.930 0.030 . 1 . . . . 14 LYS HE3 . 10201 1 99 . 1 1 14 14 LYS C C 13 174.476 0.300 . 1 . . . . 14 LYS C . 10201 1 100 . 1 1 14 14 LYS HB2 H 1 1.567 0.030 . 2 . . . . 14 LYS HB2 . 10201 1 101 . 1 1 14 14 LYS HD2 H 1 1.584 0.030 . 1 . . . . 14 LYS HD2 . 10201 1 102 . 1 1 14 14 LYS HE2 H 1 2.930 0.030 . 1 . . . . 14 LYS HE2 . 10201 1 103 . 1 1 14 14 LYS HG2 H 1 1.114 0.030 . 1 . . . . 14 LYS HG2 . 10201 1 104 . 1 1 15 15 CYS N N 15 127.379 0.300 . 1 . . . . 15 CYS N . 10201 1 105 . 1 1 15 15 CYS H H 1 9.267 0.030 . 1 . . . . 15 CYS H . 10201 1 106 . 1 1 15 15 CYS CA C 13 59.230 0.300 . 1 . . . . 15 CYS CA . 10201 1 107 . 1 1 15 15 CYS HA H 1 4.592 0.030 . 1 . . . . 15 CYS HA . 10201 1 108 . 1 1 15 15 CYS CB C 13 29.614 0.300 . 1 . . . . 15 CYS CB . 10201 1 109 . 1 1 15 15 CYS HB3 H 1 3.420 0.030 . 2 . . . . 15 CYS HB3 . 10201 1 110 . 1 1 15 15 CYS C C 13 176.798 0.300 . 1 . . . . 15 CYS C . 10201 1 111 . 1 1 15 15 CYS HB2 H 1 2.859 0.030 . 2 . . . . 15 CYS HB2 . 10201 1 112 . 1 1 16 16 ASN N N 15 130.287 0.300 . 1 . . . . 16 ASN N . 10201 1 113 . 1 1 16 16 ASN H H 1 9.447 0.030 . 1 . . . . 16 ASN H . 10201 1 114 . 1 1 16 16 ASN CA C 13 55.588 0.300 . 1 . . . . 16 ASN CA . 10201 1 115 . 1 1 16 16 ASN HA H 1 4.548 0.030 . 1 . . . . 16 ASN HA . 10201 1 116 . 1 1 16 16 ASN CB C 13 38.414 0.300 . 1 . . . . 16 ASN CB . 10201 1 117 . 1 1 16 16 ASN HB3 H 1 2.893 0.030 . 1 . . . . 16 ASN HB3 . 10201 1 118 . 1 1 16 16 ASN ND2 N 15 113.396 0.300 . 1 . . . . 16 ASN ND2 . 10201 1 119 . 1 1 16 16 ASN HD21 H 1 7.705 0.030 . 2 . . . . 16 ASN HD21 . 10201 1 120 . 1 1 16 16 ASN HD22 H 1 6.989 0.030 . 2 . . . . 16 ASN HD22 . 10201 1 121 . 1 1 16 16 ASN C C 13 175.463 0.300 . 1 . . . . 16 ASN C . 10201 1 122 . 1 1 16 16 ASN HB2 H 1 2.893 0.030 . 1 . . . . 16 ASN HB2 . 10201 1 123 . 1 1 17 17 GLU N N 15 120.826 0.300 . 1 . . . . 17 GLU N . 10201 1 124 . 1 1 17 17 GLU H H 1 8.704 0.030 . 1 . . . . 17 GLU H . 10201 1 125 . 1 1 17 17 GLU CA C 13 58.511 0.300 . 1 . . . . 17 GLU CA . 10201 1 126 . 1 1 17 17 GLU HA H 1 4.227 0.030 . 1 . . . . 17 GLU HA . 10201 1 127 . 1 1 17 17 GLU CB C 13 29.478 0.300 . 1 . . . . 17 GLU CB . 10201 1 128 . 1 1 17 17 GLU HB3 H 1 1.380 0.030 . 1 . . . . 17 GLU HB3 . 10201 1 129 . 1 1 17 17 GLU CG C 13 35.763 0.300 . 1 . . . . 17 GLU CG . 10201 1 130 . 1 1 17 17 GLU HG3 H 1 1.915 0.030 . 2 . . . . 17 GLU HG3 . 10201 1 131 . 1 1 17 17 GLU C C 13 177.096 0.300 . 1 . . . . 17 GLU C . 10201 1 132 . 1 1 17 17 GLU HB2 H 1 1.380 0.030 . 1 . . . . 17 GLU HB2 . 10201 1 133 . 1 1 17 17 GLU HG2 H 1 1.808 0.030 . 2 . . . . 17 GLU HG2 . 10201 1 134 . 1 1 18 18 CYS N N 15 114.551 0.300 . 1 . . . . 18 CYS N . 10201 1 135 . 1 1 18 18 CYS H H 1 7.945 0.030 . 1 . . . . 18 CYS H . 10201 1 136 . 1 1 18 18 CYS CA C 13 58.357 0.300 . 1 . . . . 18 CYS CA . 10201 1 137 . 1 1 18 18 CYS HA H 1 5.196 0.030 . 1 . . . . 18 CYS HA . 10201 1 138 . 1 1 18 18 CYS CB C 13 32.462 0.300 . 1 . . . . 18 CYS CB . 10201 1 139 . 1 1 18 18 CYS HB3 H 1 3.458 0.030 . 2 . . . . 18 CYS HB3 . 10201 1 140 . 1 1 18 18 CYS C C 13 176.232 0.300 . 1 . . . . 18 CYS C . 10201 1 141 . 1 1 18 18 CYS HB2 H 1 2.898 0.030 . 2 . . . . 18 CYS HB2 . 10201 1 142 . 1 1 19 19 GLY N N 15 113.587 0.300 . 1 . . . . 19 GLY N . 10201 1 143 . 1 1 19 19 GLY H H 1 8.233 0.030 . 1 . . . . 19 GLY H . 10201 1 144 . 1 1 19 19 GLY CA C 13 46.310 0.300 . 1 . . . . 19 GLY CA . 10201 1 145 . 1 1 19 19 GLY HA3 H 1 4.284 0.030 . 2 . . . . 19 GLY HA3 . 10201 1 146 . 1 1 19 19 GLY C C 13 173.663 0.300 . 1 . . . . 19 GLY C . 10201 1 147 . 1 1 19 19 GLY HA2 H 1 3.758 0.030 . 2 . . . . 19 GLY HA2 . 10201 1 148 . 1 1 20 20 LYS N N 15 122.684 0.300 . 1 . . . . 20 LYS N . 10201 1 149 . 1 1 20 20 LYS H H 1 7.972 0.030 . 1 . . . . 20 LYS H . 10201 1 150 . 1 1 20 20 LYS CA C 13 58.156 0.300 . 1 . . . . 20 LYS CA . 10201 1 151 . 1 1 20 20 LYS HA H 1 4.078 0.030 . 1 . . . . 20 LYS HA . 10201 1 152 . 1 1 20 20 LYS CB C 13 33.727 0.300 . 1 . . . . 20 LYS CB . 10201 1 153 . 1 1 20 20 LYS HB3 H 1 1.428 0.030 . 2 . . . . 20 LYS HB3 . 10201 1 154 . 1 1 20 20 LYS CG C 13 26.457 0.300 . 1 . . . . 20 LYS CG . 10201 1 155 . 1 1 20 20 LYS HG3 H 1 1.527 0.030 . 2 . . . . 20 LYS HG3 . 10201 1 156 . 1 1 20 20 LYS CD C 13 29.258 0.300 . 1 . . . . 20 LYS CD . 10201 1 157 . 1 1 20 20 LYS HD3 H 1 1.569 0.030 . 2 . . . . 20 LYS HD3 . 10201 1 158 . 1 1 20 20 LYS CE C 13 42.243 0.300 . 1 . . . . 20 LYS CE . 10201 1 159 . 1 1 20 20 LYS HE3 H 1 3.029 0.030 . 2 . . . . 20 LYS HE3 . 10201 1 160 . 1 1 20 20 LYS C C 13 174.656 0.300 . 1 . . . . 20 LYS C . 10201 1 161 . 1 1 20 20 LYS HB2 H 1 1.297 0.030 . 2 . . . . 20 LYS HB2 . 10201 1 162 . 1 1 20 20 LYS HD2 H 1 1.509 0.030 . 2 . . . . 20 LYS HD2 . 10201 1 163 . 1 1 20 20 LYS HE2 H 1 2.959 0.030 . 2 . . . . 20 LYS HE2 . 10201 1 164 . 1 1 20 20 LYS HG2 H 1 1.182 0.030 . 2 . . . . 20 LYS HG2 . 10201 1 165 . 1 1 21 21 THR N N 15 110.579 0.300 . 1 . . . . 21 THR N . 10201 1 166 . 1 1 21 21 THR H H 1 7.609 0.030 . 1 . . . . 21 THR H . 10201 1 167 . 1 1 21 21 THR CA C 13 59.691 0.300 . 1 . . . . 21 THR CA . 10201 1 168 . 1 1 21 21 THR HA H 1 5.205 0.030 . 1 . . . . 21 THR HA . 10201 1 169 . 1 1 21 21 THR CB C 13 71.137 0.300 . 1 . . . . 21 THR CB . 10201 1 170 . 1 1 21 21 THR HB H 1 4.152 0.030 . 1 . . . . 21 THR HB . 10201 1 171 . 1 1 21 21 THR CG2 C 13 21.584 0.300 . 1 . . . . 21 THR CG2 . 10201 1 172 . 1 1 21 21 THR HG21 H 1 1.086 0.030 . 1 . . . . 21 THR HG2 . 10201 1 173 . 1 1 21 21 THR HG22 H 1 1.086 0.030 . 1 . . . . 21 THR HG2 . 10201 1 174 . 1 1 21 21 THR HG23 H 1 1.086 0.030 . 1 . . . . 21 THR HG2 . 10201 1 175 . 1 1 21 21 THR C C 13 173.496 0.300 . 1 . . . . 21 THR C . 10201 1 176 . 1 1 22 22 PHE N N 15 116.127 0.300 . 1 . . . . 22 PHE N . 10201 1 177 . 1 1 22 22 PHE H H 1 8.683 0.030 . 1 . . . . 22 PHE H . 10201 1 178 . 1 1 22 22 PHE CA C 13 56.997 0.300 . 1 . . . . 22 PHE CA . 10201 1 179 . 1 1 22 22 PHE HA H 1 4.759 0.030 . 1 . . . . 22 PHE HA . 10201 1 180 . 1 1 22 22 PHE CB C 13 44.522 0.300 . 1 . . . . 22 PHE CB . 10201 1 181 . 1 1 22 22 PHE HB3 H 1 3.489 0.030 . 2 . . . . 22 PHE HB3 . 10201 1 182 . 1 1 22 22 PHE CD1 C 13 132.336 0.300 . 1 . . . . 22 PHE CD1 . 10201 1 183 . 1 1 22 22 PHE HD1 H 1 7.179 0.030 . 1 . . . . 22 PHE HD1 . 10201 1 184 . 1 1 22 22 PHE CD2 C 13 132.336 0.300 . 1 . . . . 22 PHE CD2 . 10201 1 185 . 1 1 22 22 PHE HD2 H 1 7.179 0.030 . 1 . . . . 22 PHE HD2 . 10201 1 186 . 1 1 22 22 PHE CE1 C 13 130.799 0.300 . 1 . . . . 22 PHE CE1 . 10201 1 187 . 1 1 22 22 PHE HE1 H 1 6.855 0.030 . 1 . . . . 22 PHE HE1 . 10201 1 188 . 1 1 22 22 PHE CE2 C 13 130.799 0.300 . 1 . . . . 22 PHE CE2 . 10201 1 189 . 1 1 22 22 PHE HE2 H 1 6.855 0.030 . 1 . . . . 22 PHE HE2 . 10201 1 190 . 1 1 22 22 PHE CZ C 13 128.761 0.300 . 1 . . . . 22 PHE CZ . 10201 1 191 . 1 1 22 22 PHE HZ H 1 6.062 0.030 . 1 . . . . 22 PHE HZ . 10201 1 192 . 1 1 22 22 PHE C C 13 175.274 0.300 . 1 . . . . 22 PHE C . 10201 1 193 . 1 1 22 22 PHE HB2 H 1 2.617 0.030 . 2 . . . . 22 PHE HB2 . 10201 1 194 . 1 1 23 23 SER N N 15 115.350 0.300 . 1 . . . . 23 SER N . 10201 1 195 . 1 1 23 23 SER H H 1 9.509 0.030 . 1 . . . . 23 SER H . 10201 1 196 . 1 1 23 23 SER CA C 13 60.097 0.300 . 1 . . . . 23 SER CA . 10201 1 197 . 1 1 23 23 SER HA H 1 4.455 0.030 . 1 . . . . 23 SER HA . 10201 1 198 . 1 1 23 23 SER CB C 13 64.104 0.300 . 1 . . . . 23 SER CB . 10201 1 199 . 1 1 23 23 SER HB3 H 1 3.751 0.030 . 2 . . . . 23 SER HB3 . 10201 1 200 . 1 1 23 23 SER HB2 H 1 4.066 0.030 . 2 . . . . 23 SER HB2 . 10201 1 201 . 1 1 24 24 HIS N N 15 117.610 0.300 . 1 . . . . 24 HIS N . 10201 1 202 . 1 1 24 24 HIS H H 1 7.093 0.030 . 1 . . . . 24 HIS H . 10201 1 203 . 1 1 24 24 HIS CA C 13 55.771 0.300 . 1 . . . . 24 HIS CA . 10201 1 204 . 1 1 24 24 HIS HA H 1 4.570 0.030 . 1 . . . . 24 HIS HA . 10201 1 205 . 1 1 24 24 HIS CB C 13 33.304 0.300 . 1 . . . . 24 HIS CB . 10201 1 206 . 1 1 24 24 HIS HB3 H 1 2.116 0.030 . 2 . . . . 24 HIS HB3 . 10201 1 207 . 1 1 24 24 HIS CD2 C 13 118.667 0.300 . 1 . . . . 24 HIS CD2 . 10201 1 208 . 1 1 24 24 HIS HD2 H 1 6.983 0.030 . 1 . . . . 24 HIS HD2 . 10201 1 209 . 1 1 24 24 HIS CE1 C 13 139.517 0.300 . 1 . . . . 24 HIS CE1 . 10201 1 210 . 1 1 24 24 HIS HE1 H 1 7.726 0.030 . 1 . . . . 24 HIS HE1 . 10201 1 211 . 1 1 24 24 HIS HB2 H 1 2.587 0.030 . 2 . . . . 24 HIS HB2 . 10201 1 212 . 1 1 25 25 SER H H 1 7.251 0.030 . 1 . . . . 25 SER H . 10201 1 213 . 1 1 25 25 SER CA C 13 61.178 0.300 . 1 . . . . 25 SER CA . 10201 1 214 . 1 1 25 25 SER HA H 1 2.986 0.030 . 1 . . . . 25 SER HA . 10201 1 215 . 1 1 25 25 SER CB C 13 61.917 0.300 . 1 . . . . 25 SER CB . 10201 1 216 . 1 1 25 25 SER HB3 H 1 3.511 0.030 . 2 . . . . 25 SER HB3 . 10201 1 217 . 1 1 25 25 SER HB2 H 1 3.300 0.030 . 2 . . . . 25 SER HB2 . 10201 1 218 . 1 1 26 26 ALA CA C 13 54.851 0.300 . 1 . . . . 26 ALA CA . 10201 1 219 . 1 1 26 26 ALA HA H 1 4.129 0.030 . 1 . . . . 26 ALA HA . 10201 1 220 . 1 1 26 26 ALA CB C 13 18.182 0.300 . 1 . . . . 26 ALA CB . 10201 1 221 . 1 1 26 26 ALA HB1 H 1 1.349 0.030 . 1 . . . . 26 ALA HB . 10201 1 222 . 1 1 26 26 ALA HB2 H 1 1.349 0.030 . 1 . . . . 26 ALA HB . 10201 1 223 . 1 1 26 26 ALA HB3 H 1 1.349 0.030 . 1 . . . . 26 ALA HB . 10201 1 224 . 1 1 26 26 ALA C C 13 180.317 0.300 . 1 . . . . 26 ALA C . 10201 1 225 . 1 1 27 27 HIS N N 15 116.106 0.300 . 1 . . . . 27 HIS N . 10201 1 226 . 1 1 27 27 HIS H H 1 6.999 0.030 . 1 . . . . 27 HIS H . 10201 1 227 . 1 1 27 27 HIS CA C 13 56.588 0.300 . 1 . . . . 27 HIS CA . 10201 1 228 . 1 1 27 27 HIS HA H 1 4.470 0.030 . 1 . . . . 27 HIS HA . 10201 1 229 . 1 1 27 27 HIS CB C 13 31.665 0.300 . 1 . . . . 27 HIS CB . 10201 1 230 . 1 1 27 27 HIS HB3 H 1 3.359 0.030 . 2 . . . . 27 HIS HB3 . 10201 1 231 . 1 1 27 27 HIS CD2 C 13 116.686 0.300 . 1 . . . . 27 HIS CD2 . 10201 1 232 . 1 1 27 27 HIS HD2 H 1 6.906 0.030 . 1 . . . . 27 HIS HD2 . 10201 1 233 . 1 1 27 27 HIS CE1 C 13 138.830 0.300 . 1 . . . . 27 HIS CE1 . 10201 1 234 . 1 1 27 27 HIS HE1 H 1 7.674 0.030 . 1 . . . . 27 HIS HE1 . 10201 1 235 . 1 1 27 27 HIS C C 13 178.498 0.300 . 1 . . . . 27 HIS C . 10201 1 236 . 1 1 27 27 HIS HB2 H 1 3.325 0.030 . 2 . . . . 27 HIS HB2 . 10201 1 237 . 1 1 28 28 LEU N N 15 121.252 0.300 . 1 . . . . 28 LEU N . 10201 1 238 . 1 1 28 28 LEU H H 1 6.954 0.030 . 1 . . . . 28 LEU H . 10201 1 239 . 1 1 28 28 LEU CA C 13 57.761 0.300 . 1 . . . . 28 LEU CA . 10201 1 240 . 1 1 28 28 LEU HA H 1 3.160 0.030 . 1 . . . . 28 LEU HA . 10201 1 241 . 1 1 28 28 LEU CB C 13 40.366 0.300 . 1 . . . . 28 LEU CB . 10201 1 242 . 1 1 28 28 LEU HB3 H 1 1.938 0.030 . 2 . . . . 28 LEU HB3 . 10201 1 243 . 1 1 28 28 LEU CG C 13 27.492 0.300 . 1 . . . . 28 LEU CG . 10201 1 244 . 1 1 28 28 LEU HG H 1 1.514 0.030 . 1 . . . . 28 LEU HG . 10201 1 245 . 1 1 28 28 LEU CD1 C 13 26.541 0.300 . 2 . . . . 28 LEU CD1 . 10201 1 246 . 1 1 28 28 LEU HD11 H 1 1.058 0.030 . 1 . . . . 28 LEU HD1 . 10201 1 247 . 1 1 28 28 LEU HD12 H 1 1.058 0.030 . 1 . . . . 28 LEU HD1 . 10201 1 248 . 1 1 28 28 LEU HD13 H 1 1.058 0.030 . 1 . . . . 28 LEU HD1 . 10201 1 249 . 1 1 28 28 LEU CD2 C 13 23.078 0.300 . 2 . . . . 28 LEU CD2 . 10201 1 250 . 1 1 28 28 LEU HD21 H 1 0.988 0.030 . 1 . . . . 28 LEU HD2 . 10201 1 251 . 1 1 28 28 LEU HD22 H 1 0.988 0.030 . 1 . . . . 28 LEU HD2 . 10201 1 252 . 1 1 28 28 LEU HD23 H 1 0.988 0.030 . 1 . . . . 28 LEU HD2 . 10201 1 253 . 1 1 28 28 LEU C C 13 177.469 0.300 . 1 . . . . 28 LEU C . 10201 1 254 . 1 1 28 28 LEU HB2 H 1 1.138 0.030 . 2 . . . . 28 LEU HB2 . 10201 1 255 . 1 1 29 29 SER N N 15 114.613 0.300 . 1 . . . . 29 SER N . 10201 1 256 . 1 1 29 29 SER H H 1 8.258 0.030 . 1 . . . . 29 SER H . 10201 1 257 . 1 1 29 29 SER CA C 13 62.389 0.300 . 1 . . . . 29 SER CA . 10201 1 258 . 1 1 29 29 SER HA H 1 3.861 0.030 . 1 . . . . 29 SER HA . 10201 1 259 . 1 1 29 29 SER CB C 13 62.209 0.300 . 1 . . . . 29 SER CB . 10201 1 260 . 1 1 29 29 SER HB3 H 1 4.230 0.030 . 1 . . . . 29 SER HB3 . 10201 1 261 . 1 1 29 29 SER C C 13 176.889 0.300 . 1 . . . . 29 SER C . 10201 1 262 . 1 1 29 29 SER HB2 H 1 4.230 0.030 . 1 . . . . 29 SER HB2 . 10201 1 263 . 1 1 30 30 LYS N N 15 120.296 0.300 . 1 . . . . 30 LYS N . 10201 1 264 . 1 1 30 30 LYS H H 1 7.420 0.030 . 1 . . . . 30 LYS H . 10201 1 265 . 1 1 30 30 LYS CA C 13 58.898 0.300 . 1 . . . . 30 LYS CA . 10201 1 266 . 1 1 30 30 LYS HA H 1 4.064 0.030 . 1 . . . . 30 LYS HA . 10201 1 267 . 1 1 30 30 LYS CB C 13 32.454 0.300 . 1 . . . . 30 LYS CB . 10201 1 268 . 1 1 30 30 LYS HB3 H 1 1.874 0.030 . 2 . . . . 30 LYS HB3 . 10201 1 269 . 1 1 30 30 LYS CG C 13 24.942 0.300 . 1 . . . . 30 LYS CG . 10201 1 270 . 1 1 30 30 LYS HG3 H 1 1.502 0.030 . 2 . . . . 30 LYS HG3 . 10201 1 271 . 1 1 30 30 LYS CD C 13 29.090 0.300 . 1 . . . . 30 LYS CD . 10201 1 272 . 1 1 30 30 LYS HD3 H 1 1.679 0.030 . 1 . . . . 30 LYS HD3 . 10201 1 273 . 1 1 30 30 LYS CE C 13 42.238 0.300 . 1 . . . . 30 LYS CE . 10201 1 274 . 1 1 30 30 LYS HE3 H 1 2.960 0.030 . 1 . . . . 30 LYS HE3 . 10201 1 275 . 1 1 30 30 LYS C C 13 178.850 0.300 . 1 . . . . 30 LYS C . 10201 1 276 . 1 1 30 30 LYS HB2 H 1 1.834 0.030 . 2 . . . . 30 LYS HB2 . 10201 1 277 . 1 1 30 30 LYS HD2 H 1 1.679 0.030 . 1 . . . . 30 LYS HD2 . 10201 1 278 . 1 1 30 30 LYS HE2 H 1 2.960 0.030 . 1 . . . . 30 LYS HE2 . 10201 1 279 . 1 1 30 30 LYS HG2 H 1 1.441 0.030 . 2 . . . . 30 LYS HG2 . 10201 1 280 . 1 1 31 31 HIS N N 15 119.097 0.300 . 1 . . . . 31 HIS N . 10201 1 281 . 1 1 31 31 HIS H H 1 7.585 0.030 . 1 . . . . 31 HIS H . 10201 1 282 . 1 1 31 31 HIS CA C 13 59.221 0.300 . 1 . . . . 31 HIS CA . 10201 1 283 . 1 1 31 31 HIS HA H 1 4.186 0.030 . 1 . . . . 31 HIS HA . 10201 1 284 . 1 1 31 31 HIS CB C 13 28.480 0.300 . 1 . . . . 31 HIS CB . 10201 1 285 . 1 1 31 31 HIS HB3 H 1 3.109 0.030 . 2 . . . . 31 HIS HB3 . 10201 1 286 . 1 1 31 31 HIS CD2 C 13 127.152 0.300 . 1 . . . . 31 HIS CD2 . 10201 1 287 . 1 1 31 31 HIS HD2 H 1 6.924 0.030 . 1 . . . . 31 HIS HD2 . 10201 1 288 . 1 1 31 31 HIS CE1 C 13 139.573 0.300 . 1 . . . . 31 HIS CE1 . 10201 1 289 . 1 1 31 31 HIS HE1 H 1 8.058 0.030 . 1 . . . . 31 HIS HE1 . 10201 1 290 . 1 1 31 31 HIS C C 13 176.309 0.300 . 1 . . . . 31 HIS C . 10201 1 291 . 1 1 31 31 HIS HB2 H 1 2.878 0.030 . 2 . . . . 31 HIS HB2 . 10201 1 292 . 1 1 32 32 GLN N N 15 115.041 0.300 . 1 . . . . 32 GLN N . 10201 1 293 . 1 1 32 32 GLN H H 1 8.315 0.030 . 1 . . . . 32 GLN H . 10201 1 294 . 1 1 32 32 GLN CA C 13 59.416 0.300 . 1 . . . . 32 GLN CA . 10201 1 295 . 1 1 32 32 GLN HA H 1 3.715 0.030 . 1 . . . . 32 GLN HA . 10201 1 296 . 1 1 32 32 GLN CB C 13 28.247 0.300 . 1 . . . . 32 GLN CB . 10201 1 297 . 1 1 32 32 GLN HB3 H 1 2.311 0.030 . 2 . . . . 32 GLN HB3 . 10201 1 298 . 1 1 32 32 GLN CG C 13 35.452 0.300 . 1 . . . . 32 GLN CG . 10201 1 299 . 1 1 32 32 GLN HG3 H 1 2.807 0.030 . 1 . . . . 32 GLN HG3 . 10201 1 300 . 1 1 32 32 GLN NE2 N 15 112.498 0.300 . 1 . . . . 32 GLN NE2 . 10201 1 301 . 1 1 32 32 GLN HE21 H 1 7.049 0.030 . 2 . . . . 32 GLN HE21 . 10201 1 302 . 1 1 32 32 GLN HE22 H 1 7.623 0.030 . 2 . . . . 32 GLN HE22 . 10201 1 303 . 1 1 32 32 GLN C C 13 177.758 0.300 . 1 . . . . 32 GLN C . 10201 1 304 . 1 1 32 32 GLN HB2 H 1 2.210 0.030 . 2 . . . . 32 GLN HB2 . 10201 1 305 . 1 1 32 32 GLN HG2 H 1 2.807 0.030 . 1 . . . . 32 GLN HG2 . 10201 1 306 . 1 1 33 33 LEU N N 15 118.894 0.300 . 1 . . . . 33 LEU N . 10201 1 307 . 1 1 33 33 LEU H H 1 7.181 0.030 . 1 . . . . 33 LEU H . 10201 1 308 . 1 1 33 33 LEU CA C 13 57.476 0.300 . 1 . . . . 33 LEU CA . 10201 1 309 . 1 1 33 33 LEU HA H 1 4.056 0.030 . 1 . . . . 33 LEU HA . 10201 1 310 . 1 1 33 33 LEU CB C 13 41.570 0.300 . 1 . . . . 33 LEU CB . 10201 1 311 . 1 1 33 33 LEU HB3 H 1 1.806 0.030 . 2 . . . . 33 LEU HB3 . 10201 1 312 . 1 1 33 33 LEU CG C 13 26.648 0.300 . 1 . . . . 33 LEU CG . 10201 1 313 . 1 1 33 33 LEU HG H 1 1.888 0.030 . 1 . . . . 33 LEU HG . 10201 1 314 . 1 1 33 33 LEU CD1 C 13 25.288 0.300 . 2 . . . . 33 LEU CD1 . 10201 1 315 . 1 1 33 33 LEU HD11 H 1 0.966 0.030 . 1 . . . . 33 LEU HD1 . 10201 1 316 . 1 1 33 33 LEU HD12 H 1 0.966 0.030 . 1 . . . . 33 LEU HD1 . 10201 1 317 . 1 1 33 33 LEU HD13 H 1 0.966 0.030 . 1 . . . . 33 LEU HD1 . 10201 1 318 . 1 1 33 33 LEU CD2 C 13 22.494 0.300 . 2 . . . . 33 LEU CD2 . 10201 1 319 . 1 1 33 33 LEU HD21 H 1 0.866 0.030 . 1 . . . . 33 LEU HD2 . 10201 1 320 . 1 1 33 33 LEU HD22 H 1 0.866 0.030 . 1 . . . . 33 LEU HD2 . 10201 1 321 . 1 1 33 33 LEU HD23 H 1 0.866 0.030 . 1 . . . . 33 LEU HD2 . 10201 1 322 . 1 1 33 33 LEU C C 13 179.710 0.300 . 1 . . . . 33 LEU C . 10201 1 323 . 1 1 33 33 LEU HB2 H 1 1.506 0.030 . 2 . . . . 33 LEU HB2 . 10201 1 324 . 1 1 34 34 ILE N N 15 116.556 0.300 . 1 . . . . 34 ILE N . 10201 1 325 . 1 1 34 34 ILE H H 1 7.824 0.030 . 1 . . . . 34 ILE H . 10201 1 326 . 1 1 34 34 ILE CA C 13 63.328 0.300 . 1 . . . . 34 ILE CA . 10201 1 327 . 1 1 34 34 ILE HA H 1 3.939 0.030 . 1 . . . . 34 ILE HA . 10201 1 328 . 1 1 34 34 ILE CB C 13 37.595 0.300 . 1 . . . . 34 ILE CB . 10201 1 329 . 1 1 34 34 ILE HB H 1 1.678 0.030 . 1 . . . . 34 ILE HB . 10201 1 330 . 1 1 34 34 ILE CG1 C 13 26.844 0.300 . 1 . . . . 34 ILE CG1 . 10201 1 331 . 1 1 34 34 ILE HG13 H 1 0.952 0.030 . 2 . . . . 34 ILE HG13 . 10201 1 332 . 1 1 34 34 ILE CG2 C 13 16.482 0.300 . 1 . . . . 34 ILE CG2 . 10201 1 333 . 1 1 34 34 ILE HG21 H 1 0.599 0.030 . 1 . . . . 34 ILE HG2 . 10201 1 334 . 1 1 34 34 ILE HG22 H 1 0.599 0.030 . 1 . . . . 34 ILE HG2 . 10201 1 335 . 1 1 34 34 ILE HG23 H 1 0.599 0.030 . 1 . . . . 34 ILE HG2 . 10201 1 336 . 1 1 34 34 ILE CD1 C 13 14.270 0.300 . 1 . . . . 34 ILE CD1 . 10201 1 337 . 1 1 34 34 ILE HD11 H 1 0.714 0.030 . 1 . . . . 34 ILE HD1 . 10201 1 338 . 1 1 34 34 ILE HD12 H 1 0.714 0.030 . 1 . . . . 34 ILE HD1 . 10201 1 339 . 1 1 34 34 ILE HD13 H 1 0.714 0.030 . 1 . . . . 34 ILE HD1 . 10201 1 340 . 1 1 34 34 ILE C C 13 177.765 0.300 . 1 . . . . 34 ILE C . 10201 1 341 . 1 1 34 34 ILE HG12 H 1 0.839 0.030 . 2 . . . . 34 ILE HG12 . 10201 1 342 . 1 1 35 35 HIS N N 15 117.319 0.300 . 1 . . . . 35 HIS N . 10201 1 343 . 1 1 35 35 HIS H H 1 7.053 0.030 . 1 . . . . 35 HIS H . 10201 1 344 . 1 1 35 35 HIS CA C 13 55.162 0.300 . 1 . . . . 35 HIS CA . 10201 1 345 . 1 1 35 35 HIS HA H 1 4.793 0.030 . 1 . . . . 35 HIS HA . 10201 1 346 . 1 1 35 35 HIS CB C 13 28.486 0.300 . 1 . . . . 35 HIS CB . 10201 1 347 . 1 1 35 35 HIS HB3 H 1 3.385 0.030 . 2 . . . . 35 HIS HB3 . 10201 1 348 . 1 1 35 35 HIS CD2 C 13 127.616 0.300 . 1 . . . . 35 HIS CD2 . 10201 1 349 . 1 1 35 35 HIS HD2 H 1 6.755 0.030 . 1 . . . . 35 HIS HD2 . 10201 1 350 . 1 1 35 35 HIS CE1 C 13 140.032 0.300 . 1 . . . . 35 HIS CE1 . 10201 1 351 . 1 1 35 35 HIS HE1 H 1 8.066 0.030 . 1 . . . . 35 HIS HE1 . 10201 1 352 . 1 1 35 35 HIS C C 13 175.328 0.300 . 1 . . . . 35 HIS C . 10201 1 353 . 1 1 35 35 HIS HB2 H 1 3.133 0.030 . 2 . . . . 35 HIS HB2 . 10201 1 354 . 1 1 36 36 ALA N N 15 122.453 0.300 . 1 . . . . 36 ALA N . 10201 1 355 . 1 1 36 36 ALA H H 1 7.546 0.030 . 1 . . . . 36 ALA H . 10201 1 356 . 1 1 36 36 ALA CA C 13 53.295 0.300 . 1 . . . . 36 ALA CA . 10201 1 357 . 1 1 36 36 ALA HA H 1 4.340 0.030 . 1 . . . . 36 ALA HA . 10201 1 358 . 1 1 36 36 ALA CB C 13 19.226 0.300 . 1 . . . . 36 ALA CB . 10201 1 359 . 1 1 36 36 ALA HB1 H 1 1.476 0.030 . 1 . . . . 36 ALA HB . 10201 1 360 . 1 1 36 36 ALA HB2 H 1 1.476 0.030 . 1 . . . . 36 ALA HB . 10201 1 361 . 1 1 36 36 ALA HB3 H 1 1.476 0.030 . 1 . . . . 36 ALA HB . 10201 1 362 . 1 1 36 36 ALA C C 13 178.109 0.300 . 1 . . . . 36 ALA C . 10201 1 363 . 1 1 37 37 GLY N N 15 107.129 0.300 . 1 . . . . 37 GLY N . 10201 1 364 . 1 1 37 37 GLY H H 1 8.129 0.030 . 1 . . . . 37 GLY H . 10201 1 365 . 1 1 37 37 GLY CA C 13 45.268 0.300 . 1 . . . . 37 GLY CA . 10201 1 366 . 1 1 37 37 GLY HA3 H 1 3.998 0.030 . 2 . . . . 37 GLY HA3 . 10201 1 367 . 1 1 37 37 GLY C C 13 174.043 0.300 . 1 . . . . 37 GLY C . 10201 1 368 . 1 1 37 37 GLY HA2 H 1 3.954 0.030 . 2 . . . . 37 GLY HA2 . 10201 1 369 . 1 1 38 38 GLU N N 15 119.932 0.300 . 1 . . . . 38 GLU N . 10201 1 370 . 1 1 38 38 GLU H H 1 8.057 0.030 . 1 . . . . 38 GLU H . 10201 1 371 . 1 1 38 38 GLU CA C 13 56.397 0.300 . 1 . . . . 38 GLU CA . 10201 1 372 . 1 1 38 38 GLU HA H 1 4.284 0.030 . 1 . . . . 38 GLU HA . 10201 1 373 . 1 1 38 38 GLU CB C 13 30.566 0.300 . 1 . . . . 38 GLU CB . 10201 1 374 . 1 1 38 38 GLU HB3 H 1 2.035 0.030 . 2 . . . . 38 GLU HB3 . 10201 1 375 . 1 1 38 38 GLU CG C 13 36.277 0.300 . 1 . . . . 38 GLU CG . 10201 1 376 . 1 1 38 38 GLU HG3 H 1 2.298 0.030 . 2 . . . . 38 GLU HG3 . 10201 1 377 . 1 1 38 38 GLU C C 13 176.062 0.300 . 1 . . . . 38 GLU C . 10201 1 378 . 1 1 38 38 GLU HB2 H 1 1.955 0.030 . 2 . . . . 38 GLU HB2 . 10201 1 379 . 1 1 38 38 GLU HG2 H 1 2.230 0.030 . 2 . . . . 38 GLU HG2 . 10201 1 380 . 1 1 39 39 ASN N N 15 120.263 0.300 . 1 . . . . 39 ASN N . 10201 1 381 . 1 1 39 39 ASN H H 1 8.524 0.030 . 1 . . . . 39 ASN H . 10201 1 382 . 1 1 39 39 ASN CA C 13 51.432 0.300 . 1 . . . . 39 ASN CA . 10201 1 383 . 1 1 39 39 ASN HA H 1 4.986 0.030 . 1 . . . . 39 ASN HA . 10201 1 384 . 1 1 39 39 ASN CB C 13 39.023 0.300 . 1 . . . . 39 ASN CB . 10201 1 385 . 1 1 39 39 ASN HB3 H 1 2.834 0.030 . 2 . . . . 39 ASN HB3 . 10201 1 386 . 1 1 39 39 ASN ND2 N 15 113.405 0.300 . 1 . . . . 39 ASN ND2 . 10201 1 387 . 1 1 39 39 ASN HD21 H 1 7.641 0.030 . 2 . . . . 39 ASN HD21 . 10201 1 388 . 1 1 39 39 ASN HD22 H 1 6.950 0.030 . 2 . . . . 39 ASN HD22 . 10201 1 389 . 1 1 39 39 ASN C C 13 173.352 0.300 . 1 . . . . 39 ASN C . 10201 1 390 . 1 1 39 39 ASN HB2 H 1 2.693 0.030 . 2 . . . . 39 ASN HB2 . 10201 1 391 . 1 1 40 40 PRO CA C 13 63.132 0.300 . 1 . . . . 40 PRO CA . 10201 1 392 . 1 1 40 40 PRO HA H 1 4.437 0.030 . 1 . . . . 40 PRO HA . 10201 1 393 . 1 1 40 40 PRO CB C 13 32.192 0.300 . 1 . . . . 40 PRO CB . 10201 1 394 . 1 1 40 40 PRO HB3 H 1 1.993 0.030 . 2 . . . . 40 PRO HB3 . 10201 1 395 . 1 1 40 40 PRO CG C 13 27.253 0.300 . 1 . . . . 40 PRO CG . 10201 1 396 . 1 1 40 40 PRO HG3 H 1 2.028 0.030 . 1 . . . . 40 PRO HG3 . 10201 1 397 . 1 1 40 40 PRO CD C 13 50.769 0.300 . 1 . . . . 40 PRO CD . 10201 1 398 . 1 1 40 40 PRO HD3 H 1 3.788 0.030 . 2 . . . . 40 PRO HD3 . 10201 1 399 . 1 1 40 40 PRO HB2 H 1 2.305 0.030 . 2 . . . . 40 PRO HB2 . 10201 1 400 . 1 1 40 40 PRO HD2 H 1 3.748 0.030 . 2 . . . . 40 PRO HD2 . 10201 1 401 . 1 1 40 40 PRO HG2 H 1 2.028 0.030 . 1 . . . . 40 PRO HG2 . 10201 1 402 . 1 1 41 41 SER N N 15 116.490 0.300 . 1 . . . . 41 SER N . 10201 1 403 . 1 1 41 41 SER H H 1 8.541 0.030 . 1 . . . . 41 SER H . 10201 1 404 . 1 1 41 41 SER CA C 13 58.569 0.300 . 1 . . . . 41 SER CA . 10201 1 405 . 1 1 41 41 SER CB C 13 64.089 0.300 . 1 . . . . 41 SER CB . 10201 1 406 . 1 1 42 42 GLY HA2 H 1 4.122 0.030 . 2 . . . . 42 GLY HA2 . 10201 1 407 . 1 1 43 43 PRO CA C 13 63.258 0.300 . 1 . . . . 43 PRO CA . 10201 1 408 . 1 1 43 43 PRO HA H 1 4.490 0.030 . 1 . . . . 43 PRO HA . 10201 1 409 . 1 1 43 43 PRO CB C 13 32.196 0.300 . 1 . . . . 43 PRO CB . 10201 1 410 . 1 1 43 43 PRO HB3 H 1 1.990 0.030 . 2 . . . . 43 PRO HB3 . 10201 1 411 . 1 1 43 43 PRO CG C 13 27.239 0.300 . 1 . . . . 43 PRO CG . 10201 1 412 . 1 1 43 43 PRO HG3 H 1 2.026 0.030 . 1 . . . . 43 PRO HG3 . 10201 1 413 . 1 1 43 43 PRO CD C 13 49.839 0.300 . 1 . . . . 43 PRO CD . 10201 1 414 . 1 1 43 43 PRO HD3 H 1 3.636 0.030 . 1 . . . . 43 PRO HD3 . 10201 1 415 . 1 1 43 43 PRO HB2 H 1 2.306 0.030 . 2 . . . . 43 PRO HB2 . 10201 1 416 . 1 1 43 43 PRO HD2 H 1 3.636 0.030 . 1 . . . . 43 PRO HD2 . 10201 1 417 . 1 1 43 43 PRO HG2 H 1 2.026 0.030 . 1 . . . . 43 PRO HG2 . 10201 1 418 . 1 1 44 44 SER N N 15 115.698 0.300 . 1 . . . . 44 SER N . 10201 1 419 . 1 1 44 44 SER H H 1 8.413 0.030 . 1 . . . . 44 SER H . 10201 1 420 . 1 1 44 44 SER CA C 13 58.408 0.300 . 1 . . . . 44 SER CA . 10201 1 421 . 1 1 44 44 SER HA H 1 4.489 0.030 . 1 . . . . 44 SER HA . 10201 1 422 . 1 1 44 44 SER CB C 13 63.941 0.300 . 1 . . . . 44 SER CB . 10201 1 423 . 1 1 44 44 SER HB2 H 1 3.900 0.030 . 2 . . . . 44 SER HB2 . 10201 1 424 . 1 1 45 45 SER CA C 13 58.456 0.300 . 1 . . . . 45 SER CA . 10201 1 425 . 1 1 45 45 SER HA H 1 4.490 0.030 . 1 . . . . 45 SER HA . 10201 1 426 . 1 1 45 45 SER CB C 13 64.115 0.300 . 1 . . . . 45 SER CB . 10201 1 427 . 1 1 45 45 SER HB3 H 1 3.856 0.030 . 1 . . . . 45 SER HB3 . 10201 1 428 . 1 1 45 45 SER C C 13 173.910 0.300 . 1 . . . . 45 SER C . 10201 1 429 . 1 1 45 45 SER HB2 H 1 3.856 0.030 . 1 . . . . 45 SER HB2 . 10201 1 430 . 1 1 46 46 GLY N N 15 116.881 0.300 . 1 . . . . 46 GLY N . 10201 1 431 . 1 1 46 46 GLY H H 1 8.057 0.030 . 1 . . . . 46 GLY H . 10201 1 432 . 1 1 46 46 GLY CA C 13 46.222 0.300 . 1 . . . . 46 GLY CA . 10201 1 433 . 1 1 46 46 GLY C C 13 178.969 0.300 . 1 . . . . 46 GLY C . 10201 1 434 . 1 1 46 46 GLY HA2 H 1 3.785 0.030 . 2 . . . . 46 GLY HA2 . 10201 1 stop_ save_