################################### # 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 10227 _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 10227 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10227 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 4.007 0.030 . 1 . . . . 7 GLY HA2 . 10227 1 2 . 1 1 7 7 GLY HA3 H 1 4.007 0.030 . 1 . . . . 7 GLY HA3 . 10227 1 3 . 1 1 7 7 GLY C C 13 174.477 0.300 . 1 . . . . 7 GLY C . 10227 1 4 . 1 1 7 7 GLY CA C 13 45.398 0.300 . 1 . . . . 7 GLY CA . 10227 1 5 . 1 1 8 8 THR H H 1 8.136 0.030 . 1 . . . . 8 THR H . 10227 1 6 . 1 1 8 8 THR HA H 1 4.362 0.030 . 1 . . . . 8 THR HA . 10227 1 7 . 1 1 8 8 THR HB H 1 4.281 0.030 . 1 . . . . 8 THR HB . 10227 1 8 . 1 1 8 8 THR HG21 H 1 1.178 0.030 . 1 . . . . 8 THR HG2 . 10227 1 9 . 1 1 8 8 THR HG22 H 1 1.178 0.030 . 1 . . . . 8 THR HG2 . 10227 1 10 . 1 1 8 8 THR HG23 H 1 1.178 0.030 . 1 . . . . 8 THR HG2 . 10227 1 11 . 1 1 8 8 THR C C 13 175.239 0.300 . 1 . . . . 8 THR C . 10227 1 12 . 1 1 8 8 THR CA C 13 61.653 0.300 . 1 . . . . 8 THR CA . 10227 1 13 . 1 1 8 8 THR CB C 13 69.822 0.300 . 1 . . . . 8 THR CB . 10227 1 14 . 1 1 8 8 THR CG2 C 13 21.431 0.300 . 1 . . . . 8 THR CG2 . 10227 1 15 . 1 1 8 8 THR N N 15 112.770 0.300 . 1 . . . . 8 THR N . 10227 1 16 . 1 1 9 9 GLY H H 1 8.425 0.030 . 1 . . . . 9 GLY H . 10227 1 17 . 1 1 9 9 GLY HA2 H 1 3.967 0.030 . 2 . . . . 9 GLY HA2 . 10227 1 18 . 1 1 9 9 GLY HA3 H 1 3.897 0.030 . 2 . . . . 9 GLY HA3 . 10227 1 19 . 1 1 9 9 GLY C C 13 173.998 0.300 . 1 . . . . 9 GLY C . 10227 1 20 . 1 1 9 9 GLY CA C 13 45.295 0.300 . 1 . . . . 9 GLY CA . 10227 1 21 . 1 1 9 9 GLY N N 15 110.930 0.300 . 1 . . . . 9 GLY N . 10227 1 22 . 1 1 10 10 GLU H H 1 8.184 0.030 . 1 . . . . 10 GLU H . 10227 1 23 . 1 1 10 10 GLU HA H 1 4.190 0.030 . 1 . . . . 10 GLU HA . 10227 1 24 . 1 1 10 10 GLU HB2 H 1 1.987 0.030 . 2 . . . . 10 GLU HB2 . 10227 1 25 . 1 1 10 10 GLU HB3 H 1 1.841 0.030 . 2 . . . . 10 GLU HB3 . 10227 1 26 . 1 1 10 10 GLU HG2 H 1 2.184 0.030 . 1 . . . . 10 GLU HG2 . 10227 1 27 . 1 1 10 10 GLU HG3 H 1 2.184 0.030 . 1 . . . . 10 GLU HG3 . 10227 1 28 . 1 1 10 10 GLU C C 13 175.905 0.300 . 1 . . . . 10 GLU C . 10227 1 29 . 1 1 10 10 GLU CA C 13 56.816 0.300 . 1 . . . . 10 GLU CA . 10227 1 30 . 1 1 10 10 GLU CB C 13 30.490 0.300 . 1 . . . . 10 GLU CB . 10227 1 31 . 1 1 10 10 GLU CG C 13 36.019 0.300 . 1 . . . . 10 GLU CG . 10227 1 32 . 1 1 10 10 GLU N N 15 119.839 0.300 . 1 . . . . 10 GLU N . 10227 1 33 . 1 1 11 11 ASN H H 1 8.336 0.030 . 1 . . . . 11 ASN H . 10227 1 34 . 1 1 11 11 ASN HA H 1 4.872 0.030 . 1 . . . . 11 ASN HA . 10227 1 35 . 1 1 11 11 ASN HB2 H 1 2.490 0.030 . 2 . . . . 11 ASN HB2 . 10227 1 36 . 1 1 11 11 ASN HB3 H 1 2.286 0.030 . 2 . . . . 11 ASN HB3 . 10227 1 37 . 1 1 11 11 ASN HD21 H 1 7.341 0.030 . 2 . . . . 11 ASN HD21 . 10227 1 38 . 1 1 11 11 ASN HD22 H 1 6.721 0.030 . 2 . . . . 11 ASN HD22 . 10227 1 39 . 1 1 11 11 ASN C C 13 172.608 0.300 . 1 . . . . 11 ASN C . 10227 1 40 . 1 1 11 11 ASN CA C 13 51.221 0.300 . 1 . . . . 11 ASN CA . 10227 1 41 . 1 1 11 11 ASN CB C 13 39.327 0.300 . 1 . . . . 11 ASN CB . 10227 1 42 . 1 1 11 11 ASN N N 15 119.052 0.300 . 1 . . . . 11 ASN N . 10227 1 43 . 1 1 11 11 ASN ND2 N 15 113.254 0.300 . 1 . . . . 11 ASN ND2 . 10227 1 44 . 1 1 12 12 PRO HA H 1 4.264 0.030 . 1 . . . . 12 PRO HA . 10227 1 45 . 1 1 12 12 PRO HB2 H 1 1.998 0.030 . 2 . . . . 12 PRO HB2 . 10227 1 46 . 1 1 12 12 PRO HB3 H 1 1.247 0.030 . 2 . . . . 12 PRO HB3 . 10227 1 47 . 1 1 12 12 PRO HD2 H 1 3.638 0.030 . 1 . . . . 12 PRO HD2 . 10227 1 48 . 1 1 12 12 PRO HD3 H 1 3.638 0.030 . 1 . . . . 12 PRO HD3 . 10227 1 49 . 1 1 12 12 PRO HG2 H 1 1.774 0.030 . 2 . . . . 12 PRO HG2 . 10227 1 50 . 1 1 12 12 PRO HG3 H 1 1.508 0.030 . 2 . . . . 12 PRO HG3 . 10227 1 51 . 1 1 12 12 PRO C C 13 176.384 0.300 . 1 . . . . 12 PRO C . 10227 1 52 . 1 1 12 12 PRO CA C 13 63.452 0.300 . 1 . . . . 12 PRO CA . 10227 1 53 . 1 1 12 12 PRO CB C 13 32.238 0.300 . 1 . . . . 12 PRO CB . 10227 1 54 . 1 1 12 12 PRO CD C 13 50.276 0.300 . 1 . . . . 12 PRO CD . 10227 1 55 . 1 1 12 12 PRO CG C 13 26.788 0.300 . 1 . . . . 12 PRO CG . 10227 1 56 . 1 1 13 13 TYR H H 1 7.915 0.030 . 1 . . . . 13 TYR H . 10227 1 57 . 1 1 13 13 TYR HA H 1 4.630 0.030 . 1 . . . . 13 TYR HA . 10227 1 58 . 1 1 13 13 TYR HB2 H 1 2.952 0.030 . 2 . . . . 13 TYR HB2 . 10227 1 59 . 1 1 13 13 TYR HB3 H 1 2.825 0.030 . 2 . . . . 13 TYR HB3 . 10227 1 60 . 1 1 13 13 TYR HD1 H 1 6.994 0.030 . 1 . . . . 13 TYR HD1 . 10227 1 61 . 1 1 13 13 TYR HD2 H 1 6.994 0.030 . 1 . . . . 13 TYR HD2 . 10227 1 62 . 1 1 13 13 TYR HE1 H 1 6.886 0.030 . 1 . . . . 13 TYR HE1 . 10227 1 63 . 1 1 13 13 TYR HE2 H 1 6.886 0.030 . 1 . . . . 13 TYR HE2 . 10227 1 64 . 1 1 13 13 TYR C C 13 174.410 0.300 . 1 . . . . 13 TYR C . 10227 1 65 . 1 1 13 13 TYR CA C 13 57.169 0.300 . 1 . . . . 13 TYR CA . 10227 1 66 . 1 1 13 13 TYR CB C 13 38.062 0.300 . 1 . . . . 13 TYR CB . 10227 1 67 . 1 1 13 13 TYR CD1 C 13 133.061 0.300 . 1 . . . . 13 TYR CD1 . 10227 1 68 . 1 1 13 13 TYR CD2 C 13 133.061 0.300 . 1 . . . . 13 TYR CD2 . 10227 1 69 . 1 1 13 13 TYR CE1 C 13 118.443 0.300 . 1 . . . . 13 TYR CE1 . 10227 1 70 . 1 1 13 13 TYR CE2 C 13 118.443 0.300 . 1 . . . . 13 TYR CE2 . 10227 1 71 . 1 1 13 13 TYR N N 15 118.491 0.300 . 1 . . . . 13 TYR N . 10227 1 72 . 1 1 14 14 GLU H H 1 8.391 0.030 . 1 . . . . 14 GLU H . 10227 1 73 . 1 1 14 14 GLU HA H 1 4.767 0.030 . 1 . . . . 14 GLU HA . 10227 1 74 . 1 1 14 14 GLU HB2 H 1 1.794 0.030 . 1 . . . . 14 GLU HB2 . 10227 1 75 . 1 1 14 14 GLU HB3 H 1 1.794 0.030 . 1 . . . . 14 GLU HB3 . 10227 1 76 . 1 1 14 14 GLU HG2 H 1 1.983 0.030 . 2 . . . . 14 GLU HG2 . 10227 1 77 . 1 1 14 14 GLU HG3 H 1 1.867 0.030 . 2 . . . . 14 GLU HG3 . 10227 1 78 . 1 1 14 14 GLU C C 13 174.879 0.300 . 1 . . . . 14 GLU C . 10227 1 79 . 1 1 14 14 GLU CA C 13 55.103 0.300 . 1 . . . . 14 GLU CA . 10227 1 80 . 1 1 14 14 GLU CB C 13 32.827 0.300 . 1 . . . . 14 GLU CB . 10227 1 81 . 1 1 14 14 GLU CG C 13 36.431 0.300 . 1 . . . . 14 GLU CG . 10227 1 82 . 1 1 14 14 GLU N N 15 124.387 0.300 . 1 . . . . 14 GLU N . 10227 1 83 . 1 1 15 15 CYS H H 1 9.266 0.030 . 1 . . . . 15 CYS H . 10227 1 84 . 1 1 15 15 CYS HA H 1 4.543 0.030 . 1 . . . . 15 CYS HA . 10227 1 85 . 1 1 15 15 CYS HB2 H 1 3.418 0.030 . 2 . . . . 15 CYS HB2 . 10227 1 86 . 1 1 15 15 CYS HB3 H 1 2.816 0.030 . 2 . . . . 15 CYS HB3 . 10227 1 87 . 1 1 15 15 CYS C C 13 177.019 0.300 . 1 . . . . 15 CYS C . 10227 1 88 . 1 1 15 15 CYS CA C 13 59.235 0.300 . 1 . . . . 15 CYS CA . 10227 1 89 . 1 1 15 15 CYS CB C 13 29.540 0.300 . 1 . . . . 15 CYS CB . 10227 1 90 . 1 1 15 15 CYS N N 15 126.125 0.300 . 1 . . . . 15 CYS N . 10227 1 91 . 1 1 16 16 HIS HA H 1 4.581 0.030 . 1 . . . . 16 HIS HA . 10227 1 92 . 1 1 16 16 HIS HB2 H 1 3.261 0.030 . 1 . . . . 16 HIS HB2 . 10227 1 93 . 1 1 16 16 HIS HB3 H 1 3.261 0.030 . 1 . . . . 16 HIS HB3 . 10227 1 94 . 1 1 16 16 HIS HD2 H 1 7.153 0.030 . 1 . . . . 16 HIS HD2 . 10227 1 95 . 1 1 16 16 HIS HE1 H 1 8.077 0.030 . 1 . . . . 16 HIS HE1 . 10227 1 96 . 1 1 16 16 HIS C C 13 175.444 0.300 . 1 . . . . 16 HIS C . 10227 1 97 . 1 1 16 16 HIS CA C 13 58.116 0.300 . 1 . . . . 16 HIS CA . 10227 1 98 . 1 1 16 16 HIS CB C 13 29.448 0.300 . 1 . . . . 16 HIS CB . 10227 1 99 . 1 1 16 16 HIS CD2 C 13 119.670 0.300 . 1 . . . . 16 HIS CD2 . 10227 1 100 . 1 1 16 16 HIS CE1 C 13 138.071 0.300 . 1 . . . . 16 HIS CE1 . 10227 1 101 . 1 1 16 16 HIS N N 15 120.818 0.300 . 1 . . . . 16 HIS N . 10227 1 102 . 1 1 17 17 GLU H H 1 8.532 0.030 . 1 . . . . 17 GLU H . 10227 1 103 . 1 1 17 17 GLU HA H 1 4.154 0.030 . 1 . . . . 17 GLU HA . 10227 1 104 . 1 1 17 17 GLU HB2 H 1 1.394 0.030 . 1 . . . . 17 GLU HB2 . 10227 1 105 . 1 1 17 17 GLU HB3 H 1 1.394 0.030 . 1 . . . . 17 GLU HB3 . 10227 1 106 . 1 1 17 17 GLU HG2 H 1 1.830 0.030 . 2 . . . . 17 GLU HG2 . 10227 1 107 . 1 1 17 17 GLU HG3 H 1 1.686 0.030 . 2 . . . . 17 GLU HG3 . 10227 1 108 . 1 1 17 17 GLU C C 13 177.167 0.300 . 1 . . . . 17 GLU C . 10227 1 109 . 1 1 17 17 GLU CA C 13 58.373 0.300 . 1 . . . . 17 GLU CA . 10227 1 110 . 1 1 17 17 GLU CB C 13 29.496 0.300 . 1 . . . . 17 GLU CB . 10227 1 111 . 1 1 17 17 GLU CG C 13 35.606 0.300 . 1 . . . . 17 GLU CG . 10227 1 112 . 1 1 17 17 GLU N N 15 120.802 0.300 . 1 . . . . 17 GLU N . 10227 1 113 . 1 1 18 18 CYS H H 1 7.828 0.030 . 1 . . . . 18 CYS H . 10227 1 114 . 1 1 18 18 CYS HA H 1 5.133 0.030 . 1 . . . . 18 CYS HA . 10227 1 115 . 1 1 18 18 CYS HB2 H 1 3.389 0.030 . 2 . . . . 18 CYS HB2 . 10227 1 116 . 1 1 18 18 CYS HB3 H 1 2.837 0.030 . 2 . . . . 18 CYS HB3 . 10227 1 117 . 1 1 18 18 CYS C C 13 176.064 0.300 . 1 . . . . 18 CYS C . 10227 1 118 . 1 1 18 18 CYS CA C 13 58.259 0.300 . 1 . . . . 18 CYS CA . 10227 1 119 . 1 1 18 18 CYS CB C 13 32.515 0.300 . 1 . . . . 18 CYS CB . 10227 1 120 . 1 1 18 18 CYS N N 15 114.288 0.300 . 1 . . . . 18 CYS N . 10227 1 121 . 1 1 19 19 GLY H H 1 8.215 0.030 . 1 . . . . 19 GLY H . 10227 1 122 . 1 1 19 19 GLY HA2 H 1 3.863 0.030 . 2 . . . . 19 GLY HA2 . 10227 1 123 . 1 1 19 19 GLY HA3 H 1 4.207 0.030 . 2 . . . . 19 GLY HA3 . 10227 1 124 . 1 1 19 19 GLY C C 13 173.989 0.300 . 1 . . . . 19 GLY C . 10227 1 125 . 1 1 19 19 GLY CA C 13 46.144 0.300 . 1 . . . . 19 GLY CA . 10227 1 126 . 1 1 19 19 GLY N N 15 113.636 0.300 . 1 . . . . 19 GLY N . 10227 1 127 . 1 1 20 20 LYS H H 1 7.895 0.030 . 1 . . . . 20 LYS H . 10227 1 128 . 1 1 20 20 LYS HA H 1 3.938 0.030 . 1 . . . . 20 LYS HA . 10227 1 129 . 1 1 20 20 LYS HB2 H 1 1.294 0.030 . 2 . . . . 20 LYS HB2 . 10227 1 130 . 1 1 20 20 LYS HB3 H 1 1.161 0.030 . 2 . . . . 20 LYS HB3 . 10227 1 131 . 1 1 20 20 LYS HD2 H 1 1.459 0.030 . 1 . . . . 20 LYS HD2 . 10227 1 132 . 1 1 20 20 LYS HD3 H 1 1.459 0.030 . 1 . . . . 20 LYS HD3 . 10227 1 133 . 1 1 20 20 LYS HE2 H 1 2.960 0.030 . 2 . . . . 20 LYS HE2 . 10227 1 134 . 1 1 20 20 LYS HE3 H 1 2.905 0.030 . 2 . . . . 20 LYS HE3 . 10227 1 135 . 1 1 20 20 LYS HG2 H 1 1.386 0.030 . 2 . . . . 20 LYS HG2 . 10227 1 136 . 1 1 20 20 LYS HG3 H 1 1.098 0.030 . 2 . . . . 20 LYS HG3 . 10227 1 137 . 1 1 20 20 LYS C C 13 173.489 0.300 . 1 . . . . 20 LYS C . 10227 1 138 . 1 1 20 20 LYS CA C 13 57.884 0.300 . 1 . . . . 20 LYS CA . 10227 1 139 . 1 1 20 20 LYS CB C 13 33.788 0.300 . 1 . . . . 20 LYS CB . 10227 1 140 . 1 1 20 20 LYS CD C 13 29.169 0.300 . 1 . . . . 20 LYS CD . 10227 1 141 . 1 1 20 20 LYS CE C 13 42.117 0.300 . 1 . . . . 20 LYS CE . 10227 1 142 . 1 1 20 20 LYS CG C 13 26.294 0.300 . 1 . . . . 20 LYS CG . 10227 1 143 . 1 1 20 20 LYS N N 15 122.674 0.300 . 1 . . . . 20 LYS N . 10227 1 144 . 1 1 21 21 ALA H H 1 7.745 0.030 . 1 . . . . 21 ALA H . 10227 1 145 . 1 1 21 21 ALA HA H 1 5.041 0.030 . 1 . . . . 21 ALA HA . 10227 1 146 . 1 1 21 21 ALA HB1 H 1 1.179 0.030 . 1 . . . . 21 ALA HB . 10227 1 147 . 1 1 21 21 ALA HB2 H 1 1.179 0.030 . 1 . . . . 21 ALA HB . 10227 1 148 . 1 1 21 21 ALA HB3 H 1 1.179 0.030 . 1 . . . . 21 ALA HB . 10227 1 149 . 1 1 21 21 ALA C C 13 176.127 0.300 . 1 . . . . 21 ALA C . 10227 1 150 . 1 1 21 21 ALA CA C 13 50.368 0.300 . 1 . . . . 21 ALA CA . 10227 1 151 . 1 1 21 21 ALA CB C 13 22.257 0.300 . 1 . . . . 21 ALA CB . 10227 1 152 . 1 1 21 21 ALA N N 15 123.181 0.300 . 1 . . . . 21 ALA N . 10227 1 153 . 1 1 22 22 PHE H H 1 8.499 0.030 . 1 . . . . 22 PHE H . 10227 1 154 . 1 1 22 22 PHE HA H 1 4.707 0.030 . 1 . . . . 22 PHE HA . 10227 1 155 . 1 1 22 22 PHE HB2 H 1 3.460 0.030 . 2 . . . . 22 PHE HB2 . 10227 1 156 . 1 1 22 22 PHE HB3 H 1 2.567 0.030 . 2 . . . . 22 PHE HB3 . 10227 1 157 . 1 1 22 22 PHE HD1 H 1 7.125 0.030 . 1 . . . . 22 PHE HD1 . 10227 1 158 . 1 1 22 22 PHE HD2 H 1 7.125 0.030 . 1 . . . . 22 PHE HD2 . 10227 1 159 . 1 1 22 22 PHE HE1 H 1 6.796 0.030 . 1 . . . . 22 PHE HE1 . 10227 1 160 . 1 1 22 22 PHE HE2 H 1 6.796 0.030 . 1 . . . . 22 PHE HE2 . 10227 1 161 . 1 1 22 22 PHE HZ H 1 6.176 0.030 . 1 . . . . 22 PHE HZ . 10227 1 162 . 1 1 22 22 PHE C C 13 175.514 0.300 . 1 . . . . 22 PHE C . 10227 1 163 . 1 1 22 22 PHE CA C 13 57.024 0.300 . 1 . . . . 22 PHE CA . 10227 1 164 . 1 1 22 22 PHE CB C 13 43.573 0.300 . 1 . . . . 22 PHE CB . 10227 1 165 . 1 1 22 22 PHE CD1 C 13 132.305 0.300 . 1 . . . . 22 PHE CD1 . 10227 1 166 . 1 1 22 22 PHE CD2 C 13 132.305 0.300 . 1 . . . . 22 PHE CD2 . 10227 1 167 . 1 1 22 22 PHE CE1 C 13 130.536 0.300 . 1 . . . . 22 PHE CE1 . 10227 1 168 . 1 1 22 22 PHE CE2 C 13 130.536 0.300 . 1 . . . . 22 PHE CE2 . 10227 1 169 . 1 1 22 22 PHE CZ C 13 128.664 0.300 . 1 . . . . 22 PHE CZ . 10227 1 170 . 1 1 22 22 PHE N N 15 117.063 0.300 . 1 . . . . 22 PHE N . 10227 1 171 . 1 1 23 23 SER H H 1 8.920 0.030 . 1 . . . . 23 SER H . 10227 1 172 . 1 1 23 23 SER HA H 1 4.679 0.030 . 1 . . . . 23 SER HA . 10227 1 173 . 1 1 23 23 SER HB2 H 1 4.124 0.030 . 1 . . . . 23 SER HB2 . 10227 1 174 . 1 1 23 23 SER HB3 H 1 4.124 0.030 . 1 . . . . 23 SER HB3 . 10227 1 175 . 1 1 23 23 SER C C 13 174.739 0.300 . 1 . . . . 23 SER C . 10227 1 176 . 1 1 23 23 SER CA C 13 60.211 0.300 . 1 . . . . 23 SER CA . 10227 1 177 . 1 1 23 23 SER CB C 13 64.285 0.300 . 1 . . . . 23 SER CB . 10227 1 178 . 1 1 23 23 SER N N 15 115.806 0.300 . 1 . . . . 23 SER N . 10227 1 179 . 1 1 24 24 ARG H H 1 7.566 0.030 . 1 . . . . 24 ARG H . 10227 1 180 . 1 1 24 24 ARG HA H 1 4.797 0.030 . 1 . . . . 24 ARG HA . 10227 1 181 . 1 1 24 24 ARG HB2 H 1 1.712 0.030 . 2 . . . . 24 ARG HB2 . 10227 1 182 . 1 1 24 24 ARG HB3 H 1 1.117 0.030 . 2 . . . . 24 ARG HB3 . 10227 1 183 . 1 1 24 24 ARG HD2 H 1 3.399 0.030 . 2 . . . . 24 ARG HD2 . 10227 1 184 . 1 1 24 24 ARG HD3 H 1 3.226 0.030 . 2 . . . . 24 ARG HD3 . 10227 1 185 . 1 1 24 24 ARG HG2 H 1 1.711 0.030 . 2 . . . . 24 ARG HG2 . 10227 1 186 . 1 1 24 24 ARG HG3 H 1 1.661 0.030 . 2 . . . . 24 ARG HG3 . 10227 1 187 . 1 1 24 24 ARG C C 13 176.488 0.300 . 1 . . . . 24 ARG C . 10227 1 188 . 1 1 24 24 ARG CA C 13 53.323 0.300 . 1 . . . . 24 ARG CA . 10227 1 189 . 1 1 24 24 ARG CB C 13 33.751 0.300 . 1 . . . . 24 ARG CB . 10227 1 190 . 1 1 24 24 ARG CD C 13 43.148 0.300 . 1 . . . . 24 ARG CD . 10227 1 191 . 1 1 24 24 ARG CG C 13 26.542 0.300 . 1 . . . . 24 ARG CG . 10227 1 192 . 1 1 24 24 ARG N N 15 117.138 0.300 . 1 . . . . 24 ARG N . 10227 1 193 . 1 1 25 25 LYS H H 1 8.511 0.030 . 1 . . . . 25 LYS H . 10227 1 194 . 1 1 25 25 LYS HA H 1 2.879 0.030 . 1 . . . . 25 LYS HA . 10227 1 195 . 1 1 25 25 LYS HB2 H 1 1.132 0.030 . 2 . . . . 25 LYS HB2 . 10227 1 196 . 1 1 25 25 LYS HB3 H 1 1.626 0.030 . 2 . . . . 25 LYS HB3 . 10227 1 197 . 1 1 25 25 LYS HD2 H 1 1.607 0.030 . 2 . . . . 25 LYS HD2 . 10227 1 198 . 1 1 25 25 LYS HD3 H 1 1.450 0.030 . 2 . . . . 25 LYS HD3 . 10227 1 199 . 1 1 25 25 LYS HE2 H 1 2.959 0.030 . 2 . . . . 25 LYS HE2 . 10227 1 200 . 1 1 25 25 LYS HE3 H 1 2.901 0.030 . 2 . . . . 25 LYS HE3 . 10227 1 201 . 1 1 25 25 LYS HG2 H 1 1.200 0.030 . 2 . . . . 25 LYS HG2 . 10227 1 202 . 1 1 25 25 LYS HG3 H 1 1.026 0.030 . 2 . . . . 25 LYS HG3 . 10227 1 203 . 1 1 25 25 LYS C C 13 178.784 0.300 . 1 . . . . 25 LYS C . 10227 1 204 . 1 1 25 25 LYS CA C 13 59.821 0.300 . 1 . . . . 25 LYS CA . 10227 1 205 . 1 1 25 25 LYS CB C 13 31.540 0.300 . 1 . . . . 25 LYS CB . 10227 1 206 . 1 1 25 25 LYS CD C 13 29.096 0.300 . 1 . . . . 25 LYS CD . 10227 1 207 . 1 1 25 25 LYS CE C 13 42.117 0.300 . 1 . . . . 25 LYS CE . 10227 1 208 . 1 1 25 25 LYS CG C 13 24.892 0.300 . 1 . . . . 25 LYS CG . 10227 1 209 . 1 1 25 25 LYS N N 15 116.581 0.300 . 1 . . . . 25 LYS N . 10227 1 210 . 1 1 26 26 TYR H H 1 8.189 0.030 . 1 . . . . 26 TYR H . 10227 1 211 . 1 1 26 26 TYR HA H 1 4.155 0.030 . 1 . . . . 26 TYR HA . 10227 1 212 . 1 1 26 26 TYR HB2 H 1 3.148 0.030 . 2 . . . . 26 TYR HB2 . 10227 1 213 . 1 1 26 26 TYR HB3 H 1 2.943 0.030 . 2 . . . . 26 TYR HB3 . 10227 1 214 . 1 1 26 26 TYR HD1 H 1 7.094 0.030 . 1 . . . . 26 TYR HD1 . 10227 1 215 . 1 1 26 26 TYR HD2 H 1 7.094 0.030 . 1 . . . . 26 TYR HD2 . 10227 1 216 . 1 1 26 26 TYR HE1 H 1 6.814 0.030 . 1 . . . . 26 TYR HE1 . 10227 1 217 . 1 1 26 26 TYR HE2 H 1 6.814 0.030 . 1 . . . . 26 TYR HE2 . 10227 1 218 . 1 1 26 26 TYR C C 13 177.714 0.300 . 1 . . . . 26 TYR C . 10227 1 219 . 1 1 26 26 TYR CA C 13 60.191 0.300 . 1 . . . . 26 TYR CA . 10227 1 220 . 1 1 26 26 TYR CB C 13 36.264 0.300 . 1 . . . . 26 TYR CB . 10227 1 221 . 1 1 26 26 TYR CD1 C 13 133.697 0.300 . 1 . . . . 26 TYR CD1 . 10227 1 222 . 1 1 26 26 TYR CD2 C 13 133.697 0.300 . 1 . . . . 26 TYR CD2 . 10227 1 223 . 1 1 26 26 TYR CE1 C 13 118.456 0.300 . 1 . . . . 26 TYR CE1 . 10227 1 224 . 1 1 26 26 TYR CE2 C 13 118.456 0.300 . 1 . . . . 26 TYR CE2 . 10227 1 225 . 1 1 26 26 TYR N N 15 114.321 0.300 . 1 . . . . 26 TYR N . 10227 1 226 . 1 1 27 27 GLN H H 1 6.421 0.030 . 1 . . . . 27 GLN H . 10227 1 227 . 1 1 27 27 GLN HA H 1 3.781 0.030 . 1 . . . . 27 GLN HA . 10227 1 228 . 1 1 27 27 GLN HB2 H 1 2.267 0.030 . 2 . . . . 27 GLN HB2 . 10227 1 229 . 1 1 27 27 GLN HB3 H 1 1.790 0.030 . 2 . . . . 27 GLN HB3 . 10227 1 230 . 1 1 27 27 GLN HE21 H 1 7.277 0.030 . 2 . . . . 27 GLN HE21 . 10227 1 231 . 1 1 27 27 GLN HE22 H 1 6.976 0.030 . 2 . . . . 27 GLN HE22 . 10227 1 232 . 1 1 27 27 GLN HG2 H 1 2.248 0.030 . 2 . . . . 27 GLN HG2 . 10227 1 233 . 1 1 27 27 GLN HG3 H 1 1.470 0.030 . 2 . . . . 27 GLN HG3 . 10227 1 234 . 1 1 27 27 GLN C C 13 178.492 0.300 . 1 . . . . 27 GLN C . 10227 1 235 . 1 1 27 27 GLN CA C 13 57.318 0.300 . 1 . . . . 27 GLN CA . 10227 1 236 . 1 1 27 27 GLN CB C 13 28.324 0.300 . 1 . . . . 27 GLN CB . 10227 1 237 . 1 1 27 27 GLN CG C 13 33.958 0.300 . 1 . . . . 27 GLN CG . 10227 1 238 . 1 1 27 27 GLN N N 15 119.701 0.300 . 1 . . . . 27 GLN N . 10227 1 239 . 1 1 27 27 GLN NE2 N 15 110.176 0.300 . 1 . . . . 27 GLN NE2 . 10227 1 240 . 1 1 28 28 LEU H H 1 6.727 0.030 . 1 . . . . 28 LEU H . 10227 1 241 . 1 1 28 28 LEU HA H 1 3.340 0.030 . 1 . . . . 28 LEU HA . 10227 1 242 . 1 1 28 28 LEU HB2 H 1 1.999 0.030 . 2 . . . . 28 LEU HB2 . 10227 1 243 . 1 1 28 28 LEU HB3 H 1 1.291 0.030 . 2 . . . . 28 LEU HB3 . 10227 1 244 . 1 1 28 28 LEU HD11 H 1 0.991 0.030 . 1 . . . . 28 LEU HD1 . 10227 1 245 . 1 1 28 28 LEU HD12 H 1 0.991 0.030 . 1 . . . . 28 LEU HD1 . 10227 1 246 . 1 1 28 28 LEU HD13 H 1 0.991 0.030 . 1 . . . . 28 LEU HD1 . 10227 1 247 . 1 1 28 28 LEU HD21 H 1 1.009 0.030 . 1 . . . . 28 LEU HD2 . 10227 1 248 . 1 1 28 28 LEU HD22 H 1 1.009 0.030 . 1 . . . . 28 LEU HD2 . 10227 1 249 . 1 1 28 28 LEU HD23 H 1 1.009 0.030 . 1 . . . . 28 LEU HD2 . 10227 1 250 . 1 1 28 28 LEU HG H 1 1.492 0.030 . 1 . . . . 28 LEU HG . 10227 1 251 . 1 1 28 28 LEU C C 13 177.564 0.300 . 1 . . . . 28 LEU C . 10227 1 252 . 1 1 28 28 LEU CA C 13 57.865 0.300 . 1 . . . . 28 LEU CA . 10227 1 253 . 1 1 28 28 LEU CB C 13 40.440 0.300 . 1 . . . . 28 LEU CB . 10227 1 254 . 1 1 28 28 LEU CD1 C 13 26.294 0.300 . 2 . . . . 28 LEU CD1 . 10227 1 255 . 1 1 28 28 LEU CD2 C 13 22.585 0.300 . 2 . . . . 28 LEU CD2 . 10227 1 256 . 1 1 28 28 LEU CG C 13 27.497 0.300 . 1 . . . . 28 LEU CG . 10227 1 257 . 1 1 28 28 LEU N N 15 121.434 0.300 . 1 . . . . 28 LEU N . 10227 1 258 . 1 1 29 29 ILE H H 1 7.970 0.030 . 1 . . . . 29 ILE H . 10227 1 259 . 1 1 29 29 ILE HA H 1 3.741 0.030 . 1 . . . . 29 ILE HA . 10227 1 260 . 1 1 29 29 ILE HB H 1 1.742 0.030 . 1 . . . . 29 ILE HB . 10227 1 261 . 1 1 29 29 ILE HD11 H 1 0.773 0.030 . 1 . . . . 29 ILE HD1 . 10227 1 262 . 1 1 29 29 ILE HD12 H 1 0.773 0.030 . 1 . . . . 29 ILE HD1 . 10227 1 263 . 1 1 29 29 ILE HD13 H 1 0.773 0.030 . 1 . . . . 29 ILE HD1 . 10227 1 264 . 1 1 29 29 ILE HG12 H 1 1.508 0.030 . 2 . . . . 29 ILE HG12 . 10227 1 265 . 1 1 29 29 ILE HG13 H 1 1.229 0.030 . 2 . . . . 29 ILE HG13 . 10227 1 266 . 1 1 29 29 ILE HG21 H 1 0.877 0.030 . 1 . . . . 29 ILE HG2 . 10227 1 267 . 1 1 29 29 ILE HG22 H 1 0.877 0.030 . 1 . . . . 29 ILE HG2 . 10227 1 268 . 1 1 29 29 ILE HG23 H 1 0.877 0.030 . 1 . . . . 29 ILE HG2 . 10227 1 269 . 1 1 29 29 ILE C C 13 179.163 0.300 . 1 . . . . 29 ILE C . 10227 1 270 . 1 1 29 29 ILE CA C 13 64.518 0.300 . 1 . . . . 29 ILE CA . 10227 1 271 . 1 1 29 29 ILE CB C 13 37.255 0.300 . 1 . . . . 29 ILE CB . 10227 1 272 . 1 1 29 29 ILE CD1 C 13 12.247 0.300 . 1 . . . . 29 ILE CD1 . 10227 1 273 . 1 1 29 29 ILE CG1 C 13 28.519 0.300 . 1 . . . . 29 ILE CG1 . 10227 1 274 . 1 1 29 29 ILE CG2 C 13 17.048 0.300 . 1 . . . . 29 ILE CG2 . 10227 1 275 . 1 1 29 29 ILE N N 15 119.312 0.300 . 1 . . . . 29 ILE N . 10227 1 276 . 1 1 30 30 SER H H 1 7.665 0.030 . 1 . . . . 30 SER H . 10227 1 277 . 1 1 30 30 SER HA H 1 4.091 0.030 . 1 . . . . 30 SER HA . 10227 1 278 . 1 1 30 30 SER HB2 H 1 3.842 0.030 . 2 . . . . 30 SER HB2 . 10227 1 279 . 1 1 30 30 SER HB3 H 1 3.804 0.030 . 2 . . . . 30 SER HB3 . 10227 1 280 . 1 1 30 30 SER C C 13 177.361 0.300 . 1 . . . . 30 SER C . 10227 1 281 . 1 1 30 30 SER CA C 13 61.460 0.300 . 1 . . . . 30 SER CA . 10227 1 282 . 1 1 30 30 SER CB C 13 62.526 0.300 . 1 . . . . 30 SER CB . 10227 1 283 . 1 1 30 30 SER N N 15 113.605 0.300 . 1 . . . . 30 SER N . 10227 1 284 . 1 1 31 31 HIS H H 1 7.600 0.030 . 1 . . . . 31 HIS H . 10227 1 285 . 1 1 31 31 HIS HA H 1 4.237 0.030 . 1 . . . . 31 HIS HA . 10227 1 286 . 1 1 31 31 HIS HB2 H 1 3.090 0.030 . 2 . . . . 31 HIS HB2 . 10227 1 287 . 1 1 31 31 HIS HB3 H 1 2.837 0.030 . 2 . . . . 31 HIS HB3 . 10227 1 288 . 1 1 31 31 HIS HD2 H 1 6.907 0.030 . 1 . . . . 31 HIS HD2 . 10227 1 289 . 1 1 31 31 HIS HE1 H 1 7.976 0.030 . 1 . . . . 31 HIS HE1 . 10227 1 290 . 1 1 31 31 HIS C C 13 177.843 0.300 . 1 . . . . 31 HIS C . 10227 1 291 . 1 1 31 31 HIS CA C 13 59.125 0.300 . 1 . . . . 31 HIS CA . 10227 1 292 . 1 1 31 31 HIS CB C 13 28.478 0.300 . 1 . . . . 31 HIS CB . 10227 1 293 . 1 1 31 31 HIS CD2 C 13 127.164 0.300 . 1 . . . . 31 HIS CD2 . 10227 1 294 . 1 1 31 31 HIS CE1 C 13 139.795 0.300 . 1 . . . . 31 HIS CE1 . 10227 1 295 . 1 1 31 31 HIS N N 15 120.473 0.300 . 1 . . . . 31 HIS N . 10227 1 296 . 1 1 32 32 GLN H H 1 8.815 0.030 . 1 . . . . 32 GLN H . 10227 1 297 . 1 1 32 32 GLN HA H 1 3.691 0.030 . 1 . . . . 32 GLN HA . 10227 1 298 . 1 1 32 32 GLN HB2 H 1 2.360 0.030 . 2 . . . . 32 GLN HB2 . 10227 1 299 . 1 1 32 32 GLN HB3 H 1 2.184 0.030 . 2 . . . . 32 GLN HB3 . 10227 1 300 . 1 1 32 32 GLN HE21 H 1 7.688 0.030 . 2 . . . . 32 GLN HE21 . 10227 1 301 . 1 1 32 32 GLN HE22 H 1 6.952 0.030 . 2 . . . . 32 GLN HE22 . 10227 1 302 . 1 1 32 32 GLN HG2 H 1 2.842 0.030 . 2 . . . . 32 GLN HG2 . 10227 1 303 . 1 1 32 32 GLN HG3 H 1 2.771 0.030 . 2 . . . . 32 GLN HG3 . 10227 1 304 . 1 1 32 32 GLN C C 13 178.072 0.300 . 1 . . . . 32 GLN C . 10227 1 305 . 1 1 32 32 GLN CA C 13 59.764 0.300 . 1 . . . . 32 GLN CA . 10227 1 306 . 1 1 32 32 GLN CB C 13 27.967 0.300 . 1 . . . . 32 GLN CB . 10227 1 307 . 1 1 32 32 GLN CG C 13 35.689 0.300 . 1 . . . . 32 GLN CG . 10227 1 308 . 1 1 32 32 GLN N N 15 120.188 0.300 . 1 . . . . 32 GLN N . 10227 1 309 . 1 1 32 32 GLN NE2 N 15 111.946 0.300 . 1 . . . . 32 GLN NE2 . 10227 1 310 . 1 1 33 33 ARG H H 1 7.307 0.030 . 1 . . . . 33 ARG H . 10227 1 311 . 1 1 33 33 ARG HA H 1 4.124 0.030 . 1 . . . . 33 ARG HA . 10227 1 312 . 1 1 33 33 ARG HB2 H 1 1.917 0.030 . 1 . . . . 33 ARG HB2 . 10227 1 313 . 1 1 33 33 ARG HB3 H 1 1.917 0.030 . 1 . . . . 33 ARG HB3 . 10227 1 314 . 1 1 33 33 ARG HD2 H 1 3.228 0.030 . 1 . . . . 33 ARG HD2 . 10227 1 315 . 1 1 33 33 ARG HD3 H 1 3.228 0.030 . 1 . . . . 33 ARG HD3 . 10227 1 316 . 1 1 33 33 ARG HG2 H 1 1.873 0.030 . 2 . . . . 33 ARG HG2 . 10227 1 317 . 1 1 33 33 ARG HG3 H 1 1.714 0.030 . 2 . . . . 33 ARG HG3 . 10227 1 318 . 1 1 33 33 ARG C C 13 178.441 0.300 . 1 . . . . 33 ARG C . 10227 1 319 . 1 1 33 33 ARG CA C 13 58.665 0.300 . 1 . . . . 33 ARG CA . 10227 1 320 . 1 1 33 33 ARG CB C 13 29.859 0.300 . 1 . . . . 33 ARG CB . 10227 1 321 . 1 1 33 33 ARG CD C 13 43.436 0.300 . 1 . . . . 33 ARG CD . 10227 1 322 . 1 1 33 33 ARG CG C 13 27.447 0.300 . 1 . . . . 33 ARG CG . 10227 1 323 . 1 1 33 33 ARG N N 15 118.223 0.300 . 1 . . . . 33 ARG N . 10227 1 324 . 1 1 34 34 THR H H 1 7.731 0.030 . 1 . . . . 34 THR H . 10227 1 325 . 1 1 34 34 THR HA H 1 4.123 0.030 . 1 . . . . 34 THR HA . 10227 1 326 . 1 1 34 34 THR HB H 1 4.009 0.030 . 1 . . . . 34 THR HB . 10227 1 327 . 1 1 34 34 THR HG21 H 1 1.126 0.030 . 1 . . . . 34 THR HG2 . 10227 1 328 . 1 1 34 34 THR HG22 H 1 1.126 0.030 . 1 . . . . 34 THR HG2 . 10227 1 329 . 1 1 34 34 THR HG23 H 1 1.126 0.030 . 1 . . . . 34 THR HG2 . 10227 1 330 . 1 1 34 34 THR C C 13 175.609 0.300 . 1 . . . . 34 THR C . 10227 1 331 . 1 1 34 34 THR CA C 13 63.859 0.300 . 1 . . . . 34 THR CA . 10227 1 332 . 1 1 34 34 THR CB C 13 69.118 0.300 . 1 . . . . 34 THR CB . 10227 1 333 . 1 1 34 34 THR CG2 C 13 21.019 0.300 . 1 . . . . 34 THR CG2 . 10227 1 334 . 1 1 34 34 THR N N 15 109.975 0.300 . 1 . . . . 34 THR N . 10227 1 335 . 1 1 35 35 HIS H H 1 7.062 0.030 . 1 . . . . 35 HIS H . 10227 1 336 . 1 1 35 35 HIS HA H 1 4.799 0.030 . 1 . . . . 35 HIS HA . 10227 1 337 . 1 1 35 35 HIS HB2 H 1 3.322 0.030 . 2 . . . . 35 HIS HB2 . 10227 1 338 . 1 1 35 35 HIS HB3 H 1 3.095 0.030 . 2 . . . . 35 HIS HB3 . 10227 1 339 . 1 1 35 35 HIS HD2 H 1 6.623 0.030 . 1 . . . . 35 HIS HD2 . 10227 1 340 . 1 1 35 35 HIS HE1 H 1 7.976 0.030 . 1 . . . . 35 HIS HE1 . 10227 1 341 . 1 1 35 35 HIS C C 13 175.092 0.300 . 1 . . . . 35 HIS C . 10227 1 342 . 1 1 35 35 HIS CA C 13 55.122 0.300 . 1 . . . . 35 HIS CA . 10227 1 343 . 1 1 35 35 HIS CB C 13 28.756 0.300 . 1 . . . . 35 HIS CB . 10227 1 344 . 1 1 35 35 HIS CD2 C 13 126.893 0.300 . 1 . . . . 35 HIS CD2 . 10227 1 345 . 1 1 35 35 HIS CE1 C 13 139.794 0.300 . 1 . . . . 35 HIS CE1 . 10227 1 346 . 1 1 35 35 HIS N N 15 118.423 0.300 . 1 . . . . 35 HIS N . 10227 1 347 . 1 1 36 36 ALA H H 1 7.630 0.030 . 1 . . . . 36 ALA H . 10227 1 348 . 1 1 36 36 ALA HA H 1 4.347 0.030 . 1 . . . . 36 ALA HA . 10227 1 349 . 1 1 36 36 ALA HB1 H 1 1.458 0.030 . 1 . . . . 36 ALA HB . 10227 1 350 . 1 1 36 36 ALA HB2 H 1 1.458 0.030 . 1 . . . . 36 ALA HB . 10227 1 351 . 1 1 36 36 ALA HB3 H 1 1.458 0.030 . 1 . . . . 36 ALA HB . 10227 1 352 . 1 1 36 36 ALA C C 13 178.040 0.300 . 1 . . . . 36 ALA C . 10227 1 353 . 1 1 36 36 ALA CA C 13 53.136 0.300 . 1 . . . . 36 ALA CA . 10227 1 354 . 1 1 36 36 ALA CB C 13 19.243 0.300 . 1 . . . . 36 ALA CB . 10227 1 355 . 1 1 36 36 ALA N N 15 123.035 0.300 . 1 . . . . 36 ALA N . 10227 1 356 . 1 1 37 37 GLY H H 1 8.237 0.030 . 1 . . . . 37 GLY H . 10227 1 357 . 1 1 37 37 GLY HA2 H 1 3.966 0.030 . 1 . . . . 37 GLY HA2 . 10227 1 358 . 1 1 37 37 GLY HA3 H 1 3.966 0.030 . 1 . . . . 37 GLY HA3 . 10227 1 359 . 1 1 37 37 GLY C C 13 174.074 0.300 . 1 . . . . 37 GLY C . 10227 1 360 . 1 1 37 37 GLY CA C 13 45.231 0.300 . 1 . . . . 37 GLY CA . 10227 1 361 . 1 1 37 37 GLY N N 15 107.712 0.300 . 1 . . . . 37 GLY N . 10227 1 362 . 1 1 38 38 GLU H H 1 8.092 0.030 . 1 . . . . 38 GLU H . 10227 1 363 . 1 1 38 38 GLU HA H 1 4.283 0.030 . 1 . . . . 38 GLU HA . 10227 1 364 . 1 1 38 38 GLU HB2 H 1 2.016 0.030 . 2 . . . . 38 GLU HB2 . 10227 1 365 . 1 1 38 38 GLU HB3 H 1 1.937 0.030 . 2 . . . . 38 GLU HB3 . 10227 1 366 . 1 1 38 38 GLU HG2 H 1 2.287 0.030 . 2 . . . . 38 GLU HG2 . 10227 1 367 . 1 1 38 38 GLU HG3 H 1 2.233 0.030 . 2 . . . . 38 GLU HG3 . 10227 1 368 . 1 1 38 38 GLU C C 13 176.336 0.300 . 1 . . . . 38 GLU C . 10227 1 369 . 1 1 38 38 GLU CA C 13 56.392 0.300 . 1 . . . . 38 GLU CA . 10227 1 370 . 1 1 38 38 GLU CB C 13 30.516 0.300 . 1 . . . . 38 GLU CB . 10227 1 371 . 1 1 38 38 GLU CG C 13 36.266 0.300 . 1 . . . . 38 GLU CG . 10227 1 372 . 1 1 38 38 GLU N N 15 120.352 0.300 . 1 . . . . 38 GLU N . 10227 1 373 . 1 1 39 39 LYS H H 1 8.396 0.030 . 1 . . . . 39 LYS H . 10227 1 374 . 1 1 39 39 LYS HA H 1 4.623 0.030 . 1 . . . . 39 LYS HA . 10227 1 375 . 1 1 39 39 LYS HB2 H 1 1.823 0.030 . 2 . . . . 39 LYS HB2 . 10227 1 376 . 1 1 39 39 LYS HB3 H 1 1.732 0.030 . 2 . . . . 39 LYS HB3 . 10227 1 377 . 1 1 39 39 LYS HD2 H 1 1.694 0.030 . 1 . . . . 39 LYS HD2 . 10227 1 378 . 1 1 39 39 LYS HD3 H 1 1.694 0.030 . 1 . . . . 39 LYS HD3 . 10227 1 379 . 1 1 39 39 LYS HE2 H 1 3.003 0.030 . 1 . . . . 39 LYS HE2 . 10227 1 380 . 1 1 39 39 LYS HE3 H 1 3.003 0.030 . 1 . . . . 39 LYS HE3 . 10227 1 381 . 1 1 39 39 LYS HG2 H 1 1.472 0.030 . 1 . . . . 39 LYS HG2 . 10227 1 382 . 1 1 39 39 LYS HG3 H 1 1.472 0.030 . 1 . . . . 39 LYS HG3 . 10227 1 383 . 1 1 39 39 LYS C C 13 174.472 0.300 . 1 . . . . 39 LYS C . 10227 1 384 . 1 1 39 39 LYS CA C 13 54.053 0.300 . 1 . . . . 39 LYS CA . 10227 1 385 . 1 1 39 39 LYS CB C 13 32.429 0.300 . 1 . . . . 39 LYS CB . 10227 1 386 . 1 1 39 39 LYS CD C 13 29.110 0.300 . 1 . . . . 39 LYS CD . 10227 1 387 . 1 1 39 39 LYS CE C 13 42.231 0.300 . 1 . . . . 39 LYS CE . 10227 1 388 . 1 1 39 39 LYS CG C 13 24.431 0.300 . 1 . . . . 39 LYS CG . 10227 1 389 . 1 1 39 39 LYS N N 15 123.622 0.300 . 1 . . . . 39 LYS N . 10227 1 390 . 1 1 40 40 PRO HA H 1 4.467 0.030 . 1 . . . . 40 PRO HA . 10227 1 391 . 1 1 40 40 PRO HB2 H 1 2.313 0.030 . 2 . . . . 40 PRO HB2 . 10227 1 392 . 1 1 40 40 PRO HB3 H 1 1.938 0.030 . 2 . . . . 40 PRO HB3 . 10227 1 393 . 1 1 40 40 PRO HD2 H 1 3.829 0.030 . 2 . . . . 40 PRO HD2 . 10227 1 394 . 1 1 40 40 PRO HD3 H 1 3.641 0.030 . 2 . . . . 40 PRO HD3 . 10227 1 395 . 1 1 40 40 PRO HG2 H 1 2.017 0.030 . 1 . . . . 40 PRO HG2 . 10227 1 396 . 1 1 40 40 PRO HG3 H 1 2.017 0.030 . 1 . . . . 40 PRO HG3 . 10227 1 397 . 1 1 40 40 PRO CA C 13 63.263 0.300 . 1 . . . . 40 PRO CA . 10227 1 398 . 1 1 40 40 PRO CB C 13 32.140 0.300 . 1 . . . . 40 PRO CB . 10227 1 399 . 1 1 40 40 PRO CD C 13 50.696 0.300 . 1 . . . . 40 PRO CD . 10227 1 400 . 1 1 40 40 PRO CG C 13 27.364 0.300 . 1 . . . . 40 PRO CG . 10227 1 401 . 1 1 42 42 GLY HA2 H 1 4.163 0.030 . 2 . . . . 42 GLY HA2 . 10227 1 402 . 1 1 42 42 GLY HA3 H 1 4.097 0.030 . 2 . . . . 42 GLY HA3 . 10227 1 403 . 1 1 42 42 GLY CA C 13 44.650 0.300 . 1 . . . . 42 GLY CA . 10227 1 404 . 1 1 43 43 PRO HA H 1 4.432 0.030 . 1 . . . . 43 PRO HA . 10227 1 405 . 1 1 43 43 PRO HB2 H 1 2.261 0.030 . 1 . . . . 43 PRO HB2 . 10227 1 406 . 1 1 43 43 PRO HB3 H 1 2.261 0.030 . 1 . . . . 43 PRO HB3 . 10227 1 407 . 1 1 43 43 PRO HD2 H 1 3.622 0.030 . 1 . . . . 43 PRO HD2 . 10227 1 408 . 1 1 43 43 PRO HD3 H 1 3.622 0.030 . 1 . . . . 43 PRO HD3 . 10227 1 409 . 1 1 43 43 PRO HG2 H 1 1.976 0.030 . 1 . . . . 43 PRO HG2 . 10227 1 410 . 1 1 43 43 PRO HG3 H 1 1.976 0.030 . 1 . . . . 43 PRO HG3 . 10227 1 411 . 1 1 43 43 PRO CA C 13 63.073 0.300 . 1 . . . . 43 PRO CA . 10227 1 412 . 1 1 43 43 PRO CB C 13 32.138 0.300 . 1 . . . . 43 PRO CB . 10227 1 413 . 1 1 43 43 PRO CD C 13 49.856 0.300 . 1 . . . . 43 PRO CD . 10227 1 414 . 1 1 43 43 PRO CG C 13 27.000 0.300 . 1 . . . . 43 PRO CG . 10227 1 stop_ save_