################################### # 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 11369 _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 11369 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11369 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 . . 11369 1 2 $NMRPipe . . 11369 1 3 $NMRVIEW . . 11369 1 4 $Kujira . . 11369 1 5 $CYANA . . 11369 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 C C 13 174.491 0.300 . 1 . . . . 7 GLY C . 11369 1 2 . 1 1 7 7 GLY CA C 13 45.410 0.300 . 1 . . . . 7 GLY CA . 11369 1 3 . 1 1 8 8 THR H H 1 8.112 0.030 . 1 . . . . 8 THR H . 11369 1 4 . 1 1 8 8 THR HA H 1 4.347 0.030 . 1 . . . . 8 THR HA . 11369 1 5 . 1 1 8 8 THR HB H 1 4.276 0.030 . 1 . . . . 8 THR HB . 11369 1 6 . 1 1 8 8 THR HG21 H 1 1.180 0.030 . 1 . . . . 8 THR HG2 . 11369 1 7 . 1 1 8 8 THR HG22 H 1 1.180 0.030 . 1 . . . . 8 THR HG2 . 11369 1 8 . 1 1 8 8 THR HG23 H 1 1.180 0.030 . 1 . . . . 8 THR HG2 . 11369 1 9 . 1 1 8 8 THR C C 13 175.264 0.300 . 1 . . . . 8 THR C . 11369 1 10 . 1 1 8 8 THR CA C 13 61.915 0.300 . 1 . . . . 8 THR CA . 11369 1 11 . 1 1 8 8 THR CB C 13 69.730 0.300 . 1 . . . . 8 THR CB . 11369 1 12 . 1 1 8 8 THR CG2 C 13 21.538 0.300 . 1 . . . . 8 THR CG2 . 11369 1 13 . 1 1 8 8 THR N N 15 112.805 0.300 . 1 . . . . 8 THR N . 11369 1 14 . 1 1 9 9 GLY H H 1 8.396 0.030 . 1 . . . . 9 GLY H . 11369 1 15 . 1 1 9 9 GLY HA2 H 1 3.920 0.030 . 1 . . . . 9 GLY HA2 . 11369 1 16 . 1 1 9 9 GLY HA3 H 1 3.920 0.030 . 1 . . . . 9 GLY HA3 . 11369 1 17 . 1 1 9 9 GLY CA C 13 45.217 0.300 . 1 . . . . 9 GLY CA . 11369 1 18 . 1 1 9 9 GLY N N 15 111.016 0.300 . 1 . . . . 9 GLY N . 11369 1 19 . 1 1 10 10 GLU H H 1 8.149 0.030 . 1 . . . . 10 GLU H . 11369 1 20 . 1 1 10 10 GLU HA H 1 4.234 0.030 . 1 . . . . 10 GLU HA . 11369 1 21 . 1 1 10 10 GLU HB2 H 1 1.952 0.030 . 2 . . . . 10 GLU HB2 . 11369 1 22 . 1 1 10 10 GLU HB3 H 1 1.865 0.030 . 2 . . . . 10 GLU HB3 . 11369 1 23 . 1 1 10 10 GLU HG2 H 1 2.227 0.030 . 2 . . . . 10 GLU HG2 . 11369 1 24 . 1 1 10 10 GLU HG3 H 1 2.181 0.030 . 2 . . . . 10 GLU HG3 . 11369 1 25 . 1 1 10 10 GLU CA C 13 56.438 0.300 . 1 . . . . 10 GLU CA . 11369 1 26 . 1 1 10 10 GLU CB C 13 30.458 0.300 . 1 . . . . 10 GLU CB . 11369 1 27 . 1 1 10 10 GLU CG C 13 36.148 0.300 . 1 . . . . 10 GLU CG . 11369 1 28 . 1 1 10 10 GLU N N 15 120.371 0.300 . 1 . . . . 10 GLU N . 11369 1 29 . 1 1 11 11 LYS H H 1 8.391 0.030 . 1 . . . . 11 LYS H . 11369 1 30 . 1 1 11 11 LYS HA H 1 4.367 0.030 . 1 . . . . 11 LYS HA . 11369 1 31 . 1 1 11 11 LYS HB2 H 1 1.503 0.030 . 1 . . . . 11 LYS HB2 . 11369 1 32 . 1 1 11 11 LYS HB3 H 1 1.503 0.030 . 1 . . . . 11 LYS HB3 . 11369 1 33 . 1 1 11 11 LYS HD2 H 1 1.458 0.030 . 2 . . . . 11 LYS HD2 . 11369 1 34 . 1 1 11 11 LYS HD3 H 1 1.335 0.030 . 2 . . . . 11 LYS HD3 . 11369 1 35 . 1 1 11 11 LYS HE2 H 1 2.886 0.030 . 1 . . . . 11 LYS HE2 . 11369 1 36 . 1 1 11 11 LYS HE3 H 1 2.886 0.030 . 1 . . . . 11 LYS HE3 . 11369 1 37 . 1 1 11 11 LYS HG2 H 1 1.291 0.030 . 2 . . . . 11 LYS HG2 . 11369 1 38 . 1 1 11 11 LYS HG3 H 1 1.201 0.030 . 2 . . . . 11 LYS HG3 . 11369 1 39 . 1 1 11 11 LYS CA C 13 54.042 0.300 . 1 . . . . 11 LYS CA . 11369 1 40 . 1 1 11 11 LYS CB C 13 32.245 0.300 . 1 . . . . 11 LYS CB . 11369 1 41 . 1 1 11 11 LYS CD C 13 29.219 0.300 . 1 . . . . 11 LYS CD . 11369 1 42 . 1 1 11 11 LYS CE C 13 42.376 0.300 . 1 . . . . 11 LYS CE . 11369 1 43 . 1 1 11 11 LYS CG C 13 25.106 0.300 . 1 . . . . 11 LYS CG . 11369 1 44 . 1 1 11 11 LYS N N 15 122.470 0.300 . 1 . . . . 11 LYS N . 11369 1 45 . 1 1 12 12 PRO HA H 1 4.213 0.030 . 1 . . . . 12 PRO HA . 11369 1 46 . 1 1 12 12 PRO HB2 H 1 2.048 0.030 . 2 . . . . 12 PRO HB2 . 11369 1 47 . 1 1 12 12 PRO HB3 H 1 1.373 0.030 . 2 . . . . 12 PRO HB3 . 11369 1 48 . 1 1 12 12 PRO HD2 H 1 3.774 0.030 . 2 . . . . 12 PRO HD2 . 11369 1 49 . 1 1 12 12 PRO HD3 H 1 3.655 0.030 . 2 . . . . 12 PRO HD3 . 11369 1 50 . 1 1 12 12 PRO HG2 H 1 1.977 0.030 . 2 . . . . 12 PRO HG2 . 11369 1 51 . 1 1 12 12 PRO HG3 H 1 1.873 0.030 . 2 . . . . 12 PRO HG3 . 11369 1 52 . 1 1 12 12 PRO C C 13 176.375 0.300 . 1 . . . . 12 PRO C . 11369 1 53 . 1 1 12 12 PRO CA C 13 63.976 0.300 . 1 . . . . 12 PRO CA . 11369 1 54 . 1 1 12 12 PRO CB C 13 31.967 0.300 . 1 . . . . 12 PRO CB . 11369 1 55 . 1 1 12 12 PRO CD C 13 50.624 0.300 . 1 . . . . 12 PRO CD . 11369 1 56 . 1 1 12 12 PRO CG C 13 27.025 0.300 . 1 . . . . 12 PRO CG . 11369 1 57 . 1 1 13 13 TYR H H 1 7.739 0.030 . 1 . . . . 13 TYR H . 11369 1 58 . 1 1 13 13 TYR HA H 1 4.618 0.030 . 1 . . . . 13 TYR HA . 11369 1 59 . 1 1 13 13 TYR HB2 H 1 2.890 0.030 . 2 . . . . 13 TYR HB2 . 11369 1 60 . 1 1 13 13 TYR HB3 H 1 2.720 0.030 . 2 . . . . 13 TYR HB3 . 11369 1 61 . 1 1 13 13 TYR HD1 H 1 6.979 0.030 . 1 . . . . 13 TYR HD1 . 11369 1 62 . 1 1 13 13 TYR HD2 H 1 6.979 0.030 . 1 . . . . 13 TYR HD2 . 11369 1 63 . 1 1 13 13 TYR HE1 H 1 6.825 0.030 . 1 . . . . 13 TYR HE1 . 11369 1 64 . 1 1 13 13 TYR HE2 H 1 6.825 0.030 . 1 . . . . 13 TYR HE2 . 11369 1 65 . 1 1 13 13 TYR C C 13 174.353 0.300 . 1 . . . . 13 TYR C . 11369 1 66 . 1 1 13 13 TYR CA C 13 57.360 0.300 . 1 . . . . 13 TYR CA . 11369 1 67 . 1 1 13 13 TYR CB C 13 38.550 0.300 . 1 . . . . 13 TYR CB . 11369 1 68 . 1 1 13 13 TYR CD1 C 13 133.021 0.300 . 1 . . . . 13 TYR CD1 . 11369 1 69 . 1 1 13 13 TYR CD2 C 13 133.021 0.300 . 1 . . . . 13 TYR CD2 . 11369 1 70 . 1 1 13 13 TYR CE1 C 13 118.167 0.300 . 1 . . . . 13 TYR CE1 . 11369 1 71 . 1 1 13 13 TYR CE2 C 13 118.167 0.300 . 1 . . . . 13 TYR CE2 . 11369 1 72 . 1 1 13 13 TYR N N 15 117.888 0.300 . 1 . . . . 13 TYR N . 11369 1 73 . 1 1 14 14 LYS H H 1 8.501 0.030 . 1 . . . . 14 LYS H . 11369 1 74 . 1 1 14 14 LYS HA H 1 4.973 0.030 . 1 . . . . 14 LYS HA . 11369 1 75 . 1 1 14 14 LYS HB2 H 1 1.611 0.030 . 2 . . . . 14 LYS HB2 . 11369 1 76 . 1 1 14 14 LYS HB3 H 1 1.559 0.030 . 2 . . . . 14 LYS HB3 . 11369 1 77 . 1 1 14 14 LYS HD2 H 1 1.566 0.030 . 1 . . . . 14 LYS HD2 . 11369 1 78 . 1 1 14 14 LYS HD3 H 1 1.566 0.030 . 1 . . . . 14 LYS HD3 . 11369 1 79 . 1 1 14 14 LYS HE2 H 1 2.925 0.030 . 1 . . . . 14 LYS HE2 . 11369 1 80 . 1 1 14 14 LYS HE3 H 1 2.925 0.030 . 1 . . . . 14 LYS HE3 . 11369 1 81 . 1 1 14 14 LYS HG2 H 1 1.217 0.030 . 2 . . . . 14 LYS HG2 . 11369 1 82 . 1 1 14 14 LYS HG3 H 1 1.132 0.030 . 2 . . . . 14 LYS HG3 . 11369 1 83 . 1 1 14 14 LYS C C 13 175.403 0.300 . 1 . . . . 14 LYS C . 11369 1 84 . 1 1 14 14 LYS CA C 13 54.865 0.300 . 1 . . . . 14 LYS CA . 11369 1 85 . 1 1 14 14 LYS CB C 13 35.100 0.300 . 1 . . . . 14 LYS CB . 11369 1 86 . 1 1 14 14 LYS CD C 13 29.218 0.300 . 1 . . . . 14 LYS CD . 11369 1 87 . 1 1 14 14 LYS CE C 13 41.970 0.300 . 1 . . . . 14 LYS CE . 11369 1 88 . 1 1 14 14 LYS CG C 13 24.622 0.300 . 1 . . . . 14 LYS CG . 11369 1 89 . 1 1 14 14 LYS N N 15 124.097 0.300 . 1 . . . . 14 LYS N . 11369 1 90 . 1 1 15 15 CYS H H 1 9.096 0.030 . 1 . . . . 15 CYS H . 11369 1 91 . 1 1 15 15 CYS HA H 1 4.480 0.030 . 1 . . . . 15 CYS HA . 11369 1 92 . 1 1 15 15 CYS HB2 H 1 3.393 0.030 . 2 . . . . 15 CYS HB2 . 11369 1 93 . 1 1 15 15 CYS HB3 H 1 2.878 0.030 . 2 . . . . 15 CYS HB3 . 11369 1 94 . 1 1 15 15 CYS C C 13 177.423 0.300 . 1 . . . . 15 CYS C . 11369 1 95 . 1 1 15 15 CYS CA C 13 59.760 0.300 . 1 . . . . 15 CYS CA . 11369 1 96 . 1 1 15 15 CYS CB C 13 29.631 0.300 . 1 . . . . 15 CYS CB . 11369 1 97 . 1 1 15 15 CYS N N 15 126.282 0.300 . 1 . . . . 15 CYS N . 11369 1 98 . 1 1 16 16 GLU H H 1 9.681 0.030 . 1 . . . . 16 GLU H . 11369 1 99 . 1 1 16 16 GLU HA H 1 4.179 0.030 . 1 . . . . 16 GLU HA . 11369 1 100 . 1 1 16 16 GLU HB2 H 1 2.162 0.030 . 2 . . . . 16 GLU HB2 . 11369 1 101 . 1 1 16 16 GLU HB3 H 1 2.087 0.030 . 2 . . . . 16 GLU HB3 . 11369 1 102 . 1 1 16 16 GLU HG2 H 1 2.428 0.030 . 2 . . . . 16 GLU HG2 . 11369 1 103 . 1 1 16 16 GLU HG3 H 1 2.310 0.030 . 2 . . . . 16 GLU HG3 . 11369 1 104 . 1 1 16 16 GLU C C 13 176.722 0.300 . 1 . . . . 16 GLU C . 11369 1 105 . 1 1 16 16 GLU CA C 13 58.660 0.300 . 1 . . . . 16 GLU CA . 11369 1 106 . 1 1 16 16 GLU CB C 13 29.442 0.300 . 1 . . . . 16 GLU CB . 11369 1 107 . 1 1 16 16 GLU CG C 13 36.224 0.300 . 1 . . . . 16 GLU CG . 11369 1 108 . 1 1 16 16 GLU N N 15 132.599 0.300 . 1 . . . . 16 GLU N . 11369 1 109 . 1 1 17 17 LYS H H 1 8.663 0.030 . 1 . . . . 17 LYS H . 11369 1 110 . 1 1 17 17 LYS HA H 1 4.226 0.030 . 1 . . . . 17 LYS HA . 11369 1 111 . 1 1 17 17 LYS HB2 H 1 1.206 0.030 . 2 . . . . 17 LYS HB2 . 11369 1 112 . 1 1 17 17 LYS HB3 H 1 1.123 0.030 . 2 . . . . 17 LYS HB3 . 11369 1 113 . 1 1 17 17 LYS HD2 H 1 1.355 0.030 . 1 . . . . 17 LYS HD2 . 11369 1 114 . 1 1 17 17 LYS HD3 H 1 1.355 0.030 . 1 . . . . 17 LYS HD3 . 11369 1 115 . 1 1 17 17 LYS HE2 H 1 2.894 0.030 . 1 . . . . 17 LYS HE2 . 11369 1 116 . 1 1 17 17 LYS HE3 H 1 2.894 0.030 . 1 . . . . 17 LYS HE3 . 11369 1 117 . 1 1 17 17 LYS HG2 H 1 1.192 0.030 . 2 . . . . 17 LYS HG2 . 11369 1 118 . 1 1 17 17 LYS HG3 H 1 1.104 0.030 . 2 . . . . 17 LYS HG3 . 11369 1 119 . 1 1 17 17 LYS C C 13 177.401 0.300 . 1 . . . . 17 LYS C . 11369 1 120 . 1 1 17 17 LYS CA C 13 57.907 0.300 . 1 . . . . 17 LYS CA . 11369 1 121 . 1 1 17 17 LYS CB C 13 32.302 0.300 . 1 . . . . 17 LYS CB . 11369 1 122 . 1 1 17 17 LYS CD C 13 28.559 0.300 . 1 . . . . 17 LYS CD . 11369 1 123 . 1 1 17 17 LYS CE C 13 42.210 0.300 . 1 . . . . 17 LYS CE . 11369 1 124 . 1 1 17 17 LYS CG C 13 25.270 0.300 . 1 . . . . 17 LYS CG . 11369 1 125 . 1 1 17 17 LYS N N 15 120.287 0.300 . 1 . . . . 17 LYS N . 11369 1 126 . 1 1 18 18 CYS H H 1 7.947 0.030 . 1 . . . . 18 CYS H . 11369 1 127 . 1 1 18 18 CYS HA H 1 5.149 0.030 . 1 . . . . 18 CYS HA . 11369 1 128 . 1 1 18 18 CYS HB2 H 1 3.416 0.030 . 2 . . . . 18 CYS HB2 . 11369 1 129 . 1 1 18 18 CYS HB3 H 1 2.844 0.030 . 2 . . . . 18 CYS HB3 . 11369 1 130 . 1 1 18 18 CYS C C 13 176.183 0.300 . 1 . . . . 18 CYS C . 11369 1 131 . 1 1 18 18 CYS CA C 13 58.494 0.300 . 1 . . . . 18 CYS CA . 11369 1 132 . 1 1 18 18 CYS CB C 13 32.419 0.300 . 1 . . . . 18 CYS CB . 11369 1 133 . 1 1 18 18 CYS N N 15 115.102 0.300 . 1 . . . . 18 CYS N . 11369 1 134 . 1 1 19 19 GLY H H 1 8.174 0.030 . 1 . . . . 19 GLY H . 11369 1 135 . 1 1 19 19 GLY HA2 H 1 4.240 0.030 . 2 . . . . 19 GLY HA2 . 11369 1 136 . 1 1 19 19 GLY HA3 H 1 3.774 0.030 . 2 . . . . 19 GLY HA3 . 11369 1 137 . 1 1 19 19 GLY C C 13 173.624 0.300 . 1 . . . . 19 GLY C . 11369 1 138 . 1 1 19 19 GLY CA C 13 46.210 0.300 . 1 . . . . 19 GLY CA . 11369 1 139 . 1 1 19 19 GLY N N 15 113.299 0.300 . 1 . . . . 19 GLY N . 11369 1 140 . 1 1 20 20 LYS H H 1 7.863 0.030 . 1 . . . . 20 LYS H . 11369 1 141 . 1 1 20 20 LYS HA H 1 3.986 0.030 . 1 . . . . 20 LYS HA . 11369 1 142 . 1 1 20 20 LYS HB2 H 1 1.465 0.030 . 2 . . . . 20 LYS HB2 . 11369 1 143 . 1 1 20 20 LYS HB3 H 1 1.357 0.030 . 2 . . . . 20 LYS HB3 . 11369 1 144 . 1 1 20 20 LYS HD2 H 1 1.527 0.030 . 1 . . . . 20 LYS HD2 . 11369 1 145 . 1 1 20 20 LYS HD3 H 1 1.527 0.030 . 1 . . . . 20 LYS HD3 . 11369 1 146 . 1 1 20 20 LYS HE2 H 1 2.933 0.030 . 1 . . . . 20 LYS HE2 . 11369 1 147 . 1 1 20 20 LYS HE3 H 1 2.933 0.030 . 1 . . . . 20 LYS HE3 . 11369 1 148 . 1 1 20 20 LYS HG2 H 1 1.502 0.030 . 2 . . . . 20 LYS HG2 . 11369 1 149 . 1 1 20 20 LYS HG3 H 1 1.214 0.030 . 2 . . . . 20 LYS HG3 . 11369 1 150 . 1 1 20 20 LYS C C 13 175.075 0.300 . 1 . . . . 20 LYS C . 11369 1 151 . 1 1 20 20 LYS CA C 13 58.430 0.300 . 1 . . . . 20 LYS CA . 11369 1 152 . 1 1 20 20 LYS CB C 13 33.781 0.300 . 1 . . . . 20 LYS CB . 11369 1 153 . 1 1 20 20 LYS CD C 13 29.216 0.300 . 1 . . . . 20 LYS CD . 11369 1 154 . 1 1 20 20 LYS CE C 13 42.318 0.300 . 1 . . . . 20 LYS CE . 11369 1 155 . 1 1 20 20 LYS CG C 13 26.393 0.300 . 1 . . . . 20 LYS CG . 11369 1 156 . 1 1 20 20 LYS N N 15 122.842 0.300 . 1 . . . . 20 LYS N . 11369 1 157 . 1 1 21 21 GLY H H 1 7.914 0.030 . 1 . . . . 21 GLY H . 11369 1 158 . 1 1 21 21 GLY HA2 H 1 4.931 0.030 . 2 . . . . 21 GLY HA2 . 11369 1 159 . 1 1 21 21 GLY HA3 H 1 3.326 0.030 . 2 . . . . 21 GLY HA3 . 11369 1 160 . 1 1 21 21 GLY C C 13 172.238 0.300 . 1 . . . . 21 GLY C . 11369 1 161 . 1 1 21 21 GLY CA C 13 44.275 0.300 . 1 . . . . 21 GLY CA . 11369 1 162 . 1 1 21 21 GLY N N 15 107.845 0.300 . 1 . . . . 21 GLY N . 11369 1 163 . 1 1 22 22 TYR H H 1 8.721 0.030 . 1 . . . . 22 TYR H . 11369 1 164 . 1 1 22 22 TYR HA H 1 4.602 0.030 . 1 . . . . 22 TYR HA . 11369 1 165 . 1 1 22 22 TYR HB2 H 1 3.269 0.030 . 2 . . . . 22 TYR HB2 . 11369 1 166 . 1 1 22 22 TYR HB3 H 1 2.649 0.030 . 2 . . . . 22 TYR HB3 . 11369 1 167 . 1 1 22 22 TYR HD1 H 1 7.063 0.030 . 1 . . . . 22 TYR HD1 . 11369 1 168 . 1 1 22 22 TYR HD2 H 1 7.063 0.030 . 1 . . . . 22 TYR HD2 . 11369 1 169 . 1 1 22 22 TYR HE1 H 1 6.241 0.030 . 1 . . . . 22 TYR HE1 . 11369 1 170 . 1 1 22 22 TYR HE2 H 1 6.241 0.030 . 1 . . . . 22 TYR HE2 . 11369 1 171 . 1 1 22 22 TYR C C 13 174.929 0.300 . 1 . . . . 22 TYR C . 11369 1 172 . 1 1 22 22 TYR CA C 13 58.165 0.300 . 1 . . . . 22 TYR CA . 11369 1 173 . 1 1 22 22 TYR CB C 13 43.852 0.300 . 1 . . . . 22 TYR CB . 11369 1 174 . 1 1 22 22 TYR CD1 C 13 132.959 0.300 . 1 . . . . 22 TYR CD1 . 11369 1 175 . 1 1 22 22 TYR CD2 C 13 132.959 0.300 . 1 . . . . 22 TYR CD2 . 11369 1 176 . 1 1 22 22 TYR CE1 C 13 117.690 0.300 . 1 . . . . 22 TYR CE1 . 11369 1 177 . 1 1 22 22 TYR CE2 C 13 117.690 0.300 . 1 . . . . 22 TYR CE2 . 11369 1 178 . 1 1 22 22 TYR N N 15 118.089 0.300 . 1 . . . . 22 TYR N . 11369 1 179 . 1 1 23 23 ASN HA H 1 4.934 0.030 . 1 . . . . 23 ASN HA . 11369 1 180 . 1 1 23 23 ASN HB2 H 1 3.054 0.030 . 2 . . . . 23 ASN HB2 . 11369 1 181 . 1 1 23 23 ASN HB3 H 1 2.992 0.030 . 2 . . . . 23 ASN HB3 . 11369 1 182 . 1 1 23 23 ASN HD21 H 1 7.655 0.030 . 2 . . . . 23 ASN HD21 . 11369 1 183 . 1 1 23 23 ASN HD22 H 1 6.963 0.030 . 2 . . . . 23 ASN HD22 . 11369 1 184 . 1 1 23 23 ASN C C 13 174.696 0.300 . 1 . . . . 23 ASN C . 11369 1 185 . 1 1 23 23 ASN CA C 13 54.109 0.300 . 1 . . . . 23 ASN CA . 11369 1 186 . 1 1 23 23 ASN CB C 13 39.410 0.300 . 1 . . . . 23 ASN CB . 11369 1 187 . 1 1 23 23 ASN ND2 N 15 111.991 0.300 . 1 . . . . 23 ASN ND2 . 11369 1 188 . 1 1 24 24 SER H H 1 7.545 0.030 . 1 . . . . 24 SER H . 11369 1 189 . 1 1 24 24 SER HA H 1 4.643 0.030 . 1 . . . . 24 SER HA . 11369 1 190 . 1 1 24 24 SER HB2 H 1 4.072 0.030 . 2 . . . . 24 SER HB2 . 11369 1 191 . 1 1 24 24 SER HB3 H 1 3.912 0.030 . 2 . . . . 24 SER HB3 . 11369 1 192 . 1 1 24 24 SER C C 13 172.996 0.300 . 1 . . . . 24 SER C . 11369 1 193 . 1 1 24 24 SER CA C 13 55.943 0.300 . 1 . . . . 24 SER CA . 11369 1 194 . 1 1 24 24 SER CB C 13 66.347 0.300 . 1 . . . . 24 SER CB . 11369 1 195 . 1 1 24 24 SER N N 15 111.773 0.300 . 1 . . . . 24 SER N . 11369 1 196 . 1 1 25 25 LYS H H 1 8.281 0.030 . 1 . . . . 25 LYS H . 11369 1 197 . 1 1 25 25 LYS HA H 1 3.228 0.030 . 1 . . . . 25 LYS HA . 11369 1 198 . 1 1 25 25 LYS HB2 H 1 1.547 0.030 . 2 . . . . 25 LYS HB2 . 11369 1 199 . 1 1 25 25 LYS HB3 H 1 1.274 0.030 . 2 . . . . 25 LYS HB3 . 11369 1 200 . 1 1 25 25 LYS HD2 H 1 1.726 0.030 . 2 . . . . 25 LYS HD2 . 11369 1 201 . 1 1 25 25 LYS HD3 H 1 1.485 0.030 . 2 . . . . 25 LYS HD3 . 11369 1 202 . 1 1 25 25 LYS HE2 H 1 3.024 0.030 . 1 . . . . 25 LYS HE2 . 11369 1 203 . 1 1 25 25 LYS HE3 H 1 3.024 0.030 . 1 . . . . 25 LYS HE3 . 11369 1 204 . 1 1 25 25 LYS HG2 H 1 1.309 0.030 . 2 . . . . 25 LYS HG2 . 11369 1 205 . 1 1 25 25 LYS HG3 H 1 1.197 0.030 . 2 . . . . 25 LYS HG3 . 11369 1 206 . 1 1 25 25 LYS C C 13 177.277 0.300 . 1 . . . . 25 LYS C . 11369 1 207 . 1 1 25 25 LYS CA C 13 58.406 0.300 . 1 . . . . 25 LYS CA . 11369 1 208 . 1 1 25 25 LYS CB C 13 31.896 0.300 . 1 . . . . 25 LYS CB . 11369 1 209 . 1 1 25 25 LYS CD C 13 28.651 0.300 . 1 . . . . 25 LYS CD . 11369 1 210 . 1 1 25 25 LYS CE C 13 42.287 0.300 . 1 . . . . 25 LYS CE . 11369 1 211 . 1 1 25 25 LYS CG C 13 24.736 0.300 . 1 . . . . 25 LYS CG . 11369 1 212 . 1 1 25 25 LYS N N 15 125.696 0.300 . 1 . . . . 25 LYS N . 11369 1 213 . 1 1 26 26 PHE H H 1 8.138 0.030 . 1 . . . . 26 PHE H . 11369 1 214 . 1 1 26 26 PHE HA H 1 4.200 0.030 . 1 . . . . 26 PHE HA . 11369 1 215 . 1 1 26 26 PHE HB2 H 1 3.152 0.030 . 2 . . . . 26 PHE HB2 . 11369 1 216 . 1 1 26 26 PHE HB3 H 1 2.751 0.030 . 2 . . . . 26 PHE HB3 . 11369 1 217 . 1 1 26 26 PHE HD1 H 1 7.186 0.030 . 1 . . . . 26 PHE HD1 . 11369 1 218 . 1 1 26 26 PHE HD2 H 1 7.186 0.030 . 1 . . . . 26 PHE HD2 . 11369 1 219 . 1 1 26 26 PHE HE1 H 1 7.328 0.030 . 1 . . . . 26 PHE HE1 . 11369 1 220 . 1 1 26 26 PHE HE2 H 1 7.328 0.030 . 1 . . . . 26 PHE HE2 . 11369 1 221 . 1 1 26 26 PHE HZ H 1 7.296 0.030 . 1 . . . . 26 PHE HZ . 11369 1 222 . 1 1 26 26 PHE C C 13 177.313 0.300 . 1 . . . . 26 PHE C . 11369 1 223 . 1 1 26 26 PHE CA C 13 61.011 0.300 . 1 . . . . 26 PHE CA . 11369 1 224 . 1 1 26 26 PHE CB C 13 39.177 0.300 . 1 . . . . 26 PHE CB . 11369 1 225 . 1 1 26 26 PHE CD1 C 13 131.819 0.300 . 1 . . . . 26 PHE CD1 . 11369 1 226 . 1 1 26 26 PHE CD2 C 13 131.819 0.300 . 1 . . . . 26 PHE CD2 . 11369 1 227 . 1 1 26 26 PHE CE1 C 13 131.398 0.300 . 1 . . . . 26 PHE CE1 . 11369 1 228 . 1 1 26 26 PHE CE2 C 13 131.398 0.300 . 1 . . . . 26 PHE CE2 . 11369 1 229 . 1 1 26 26 PHE CZ C 13 130.109 0.300 . 1 . . . . 26 PHE CZ . 11369 1 230 . 1 1 26 26 PHE N N 15 118.351 0.300 . 1 . . . . 26 PHE N . 11369 1 231 . 1 1 27 27 ASN H H 1 7.608 0.030 . 1 . . . . 27 ASN H . 11369 1 232 . 1 1 27 27 ASN HA H 1 4.267 0.030 . 1 . . . . 27 ASN HA . 11369 1 233 . 1 1 27 27 ASN HB2 H 1 2.780 0.030 . 2 . . . . 27 ASN HB2 . 11369 1 234 . 1 1 27 27 ASN HB3 H 1 2.751 0.030 . 2 . . . . 27 ASN HB3 . 11369 1 235 . 1 1 27 27 ASN HD21 H 1 7.853 0.030 . 2 . . . . 27 ASN HD21 . 11369 1 236 . 1 1 27 27 ASN HD22 H 1 7.058 0.030 . 2 . . . . 27 ASN HD22 . 11369 1 237 . 1 1 27 27 ASN C C 13 178.042 0.300 . 1 . . . . 27 ASN C . 11369 1 238 . 1 1 27 27 ASN CA C 13 55.445 0.300 . 1 . . . . 27 ASN CA . 11369 1 239 . 1 1 27 27 ASN CB C 13 37.672 0.300 . 1 . . . . 27 ASN CB . 11369 1 240 . 1 1 27 27 ASN N N 15 116.278 0.300 . 1 . . . . 27 ASN N . 11369 1 241 . 1 1 27 27 ASN ND2 N 15 112.090 0.300 . 1 . . . . 27 ASN ND2 . 11369 1 242 . 1 1 28 28 LEU H H 1 7.434 0.030 . 1 . . . . 28 LEU H . 11369 1 243 . 1 1 28 28 LEU HA H 1 3.515 0.030 . 1 . . . . 28 LEU HA . 11369 1 244 . 1 1 28 28 LEU HB2 H 1 1.979 0.030 . 2 . . . . 28 LEU HB2 . 11369 1 245 . 1 1 28 28 LEU HB3 H 1 1.343 0.030 . 2 . . . . 28 LEU HB3 . 11369 1 246 . 1 1 28 28 LEU HD11 H 1 1.020 0.030 . 1 . . . . 28 LEU HD1 . 11369 1 247 . 1 1 28 28 LEU HD12 H 1 1.020 0.030 . 1 . . . . 28 LEU HD1 . 11369 1 248 . 1 1 28 28 LEU HD13 H 1 1.020 0.030 . 1 . . . . 28 LEU HD1 . 11369 1 249 . 1 1 28 28 LEU HD21 H 1 1.024 0.030 . 1 . . . . 28 LEU HD2 . 11369 1 250 . 1 1 28 28 LEU HD22 H 1 1.024 0.030 . 1 . . . . 28 LEU HD2 . 11369 1 251 . 1 1 28 28 LEU HD23 H 1 1.024 0.030 . 1 . . . . 28 LEU HD2 . 11369 1 252 . 1 1 28 28 LEU HG H 1 1.634 0.030 . 1 . . . . 28 LEU HG . 11369 1 253 . 1 1 28 28 LEU C C 13 177.766 0.300 . 1 . . . . 28 LEU C . 11369 1 254 . 1 1 28 28 LEU CA C 13 58.209 0.300 . 1 . . . . 28 LEU CA . 11369 1 255 . 1 1 28 28 LEU CB C 13 40.554 0.300 . 1 . . . . 28 LEU CB . 11369 1 256 . 1 1 28 28 LEU CD1 C 13 26.693 0.300 . 2 . . . . 28 LEU CD1 . 11369 1 257 . 1 1 28 28 LEU CD2 C 13 22.770 0.300 . 2 . . . . 28 LEU CD2 . 11369 1 258 . 1 1 28 28 LEU CG C 13 27.432 0.300 . 1 . . . . 28 LEU CG . 11369 1 259 . 1 1 28 28 LEU N N 15 123.655 0.300 . 1 . . . . 28 LEU N . 11369 1 260 . 1 1 29 29 ASP H H 1 8.751 0.030 . 1 . . . . 29 ASP H . 11369 1 261 . 1 1 29 29 ASP HA H 1 4.236 0.030 . 1 . . . . 29 ASP HA . 11369 1 262 . 1 1 29 29 ASP HB2 H 1 2.646 0.030 . 2 . . . . 29 ASP HB2 . 11369 1 263 . 1 1 29 29 ASP HB3 H 1 2.393 0.030 . 2 . . . . 29 ASP HB3 . 11369 1 264 . 1 1 29 29 ASP C C 13 179.757 0.300 . 1 . . . . 29 ASP C . 11369 1 265 . 1 1 29 29 ASP CA C 13 57.487 0.300 . 1 . . . . 29 ASP CA . 11369 1 266 . 1 1 29 29 ASP CB C 13 39.513 0.300 . 1 . . . . 29 ASP CB . 11369 1 267 . 1 1 29 29 ASP N N 15 121.274 0.300 . 1 . . . . 29 ASP N . 11369 1 268 . 1 1 30 30 MET H H 1 7.737 0.030 . 1 . . . . 30 MET H . 11369 1 269 . 1 1 30 30 MET HA H 1 4.088 0.030 . 1 . . . . 30 MET HA . 11369 1 270 . 1 1 30 30 MET HB2 H 1 1.847 0.030 . 2 . . . . 30 MET HB2 . 11369 1 271 . 1 1 30 30 MET HB3 H 1 1.809 0.030 . 2 . . . . 30 MET HB3 . 11369 1 272 . 1 1 30 30 MET HE1 H 1 1.914 0.030 . 1 . . . . 30 MET HE . 11369 1 273 . 1 1 30 30 MET HE2 H 1 1.914 0.030 . 1 . . . . 30 MET HE . 11369 1 274 . 1 1 30 30 MET HE3 H 1 1.914 0.030 . 1 . . . . 30 MET HE . 11369 1 275 . 1 1 30 30 MET HG2 H 1 2.312 0.030 . 2 . . . . 30 MET HG2 . 11369 1 276 . 1 1 30 30 MET HG3 H 1 1.989 0.030 . 2 . . . . 30 MET HG3 . 11369 1 277 . 1 1 30 30 MET C C 13 179.041 0.300 . 1 . . . . 30 MET C . 11369 1 278 . 1 1 30 30 MET CA C 13 57.356 0.300 . 1 . . . . 30 MET CA . 11369 1 279 . 1 1 30 30 MET CB C 13 32.254 0.300 . 1 . . . . 30 MET CB . 11369 1 280 . 1 1 30 30 MET CE C 13 17.422 0.300 . 1 . . . . 30 MET CE . 11369 1 281 . 1 1 30 30 MET CG C 13 32.063 0.300 . 1 . . . . 30 MET CG . 11369 1 282 . 1 1 30 30 MET N N 15 117.956 0.300 . 1 . . . . 30 MET N . 11369 1 283 . 1 1 31 31 HIS H H 1 7.484 0.030 . 1 . . . . 31 HIS H . 11369 1 284 . 1 1 31 31 HIS HA H 1 4.223 0.030 . 1 . . . . 31 HIS HA . 11369 1 285 . 1 1 31 31 HIS HB2 H 1 3.221 0.030 . 2 . . . . 31 HIS HB2 . 11369 1 286 . 1 1 31 31 HIS HB3 H 1 2.867 0.030 . 2 . . . . 31 HIS HB3 . 11369 1 287 . 1 1 31 31 HIS HD2 H 1 6.817 0.030 . 1 . . . . 31 HIS HD2 . 11369 1 288 . 1 1 31 31 HIS HE1 H 1 7.826 0.030 . 1 . . . . 31 HIS HE1 . 11369 1 289 . 1 1 31 31 HIS C C 13 176.128 0.300 . 1 . . . . 31 HIS C . 11369 1 290 . 1 1 31 31 HIS CA C 13 58.642 0.300 . 1 . . . . 31 HIS CA . 11369 1 291 . 1 1 31 31 HIS CB C 13 27.685 0.300 . 1 . . . . 31 HIS CB . 11369 1 292 . 1 1 31 31 HIS CD2 C 13 126.418 0.300 . 1 . . . . 31 HIS CD2 . 11369 1 293 . 1 1 31 31 HIS CE1 C 13 139.384 0.300 . 1 . . . . 31 HIS CE1 . 11369 1 294 . 1 1 31 31 HIS N N 15 119.906 0.300 . 1 . . . . 31 HIS N . 11369 1 295 . 1 1 32 32 GLN H H 1 8.113 0.030 . 1 . . . . 32 GLN H . 11369 1 296 . 1 1 32 32 GLN HA H 1 3.617 0.030 . 1 . . . . 32 GLN HA . 11369 1 297 . 1 1 32 32 GLN HB2 H 1 2.219 0.030 . 1 . . . . 32 GLN HB2 . 11369 1 298 . 1 1 32 32 GLN HB3 H 1 2.219 0.030 . 1 . . . . 32 GLN HB3 . 11369 1 299 . 1 1 32 32 GLN HE21 H 1 7.341 0.030 . 1 . . . . 32 GLN HE21 . 11369 1 300 . 1 1 32 32 GLN HE22 H 1 7.341 0.030 . 1 . . . . 32 GLN HE22 . 11369 1 301 . 1 1 32 32 GLN HG2 H 1 2.821 0.030 . 1 . . . . 32 GLN HG2 . 11369 1 302 . 1 1 32 32 GLN HG3 H 1 2.821 0.030 . 1 . . . . 32 GLN HG3 . 11369 1 303 . 1 1 32 32 GLN C C 13 177.415 0.300 . 1 . . . . 32 GLN C . 11369 1 304 . 1 1 32 32 GLN CA C 13 59.215 0.300 . 1 . . . . 32 GLN CA . 11369 1 305 . 1 1 32 32 GLN CB C 13 28.017 0.300 . 1 . . . . 32 GLN CB . 11369 1 306 . 1 1 32 32 GLN CG C 13 35.068 0.300 . 1 . . . . 32 GLN CG . 11369 1 307 . 1 1 32 32 GLN N N 15 114.499 0.300 . 1 . . . . 32 GLN N . 11369 1 308 . 1 1 32 32 GLN NE2 N 15 113.547 0.300 . 1 . . . . 32 GLN NE2 . 11369 1 309 . 1 1 33 33 LYS H H 1 7.058 0.030 . 1 . . . . 33 LYS H . 11369 1 310 . 1 1 33 33 LYS HA H 1 4.070 0.030 . 1 . . . . 33 LYS HA . 11369 1 311 . 1 1 33 33 LYS HB2 H 1 1.812 0.030 . 2 . . . . 33 LYS HB2 . 11369 1 312 . 1 1 33 33 LYS HB3 H 1 1.744 0.030 . 2 . . . . 33 LYS HB3 . 11369 1 313 . 1 1 33 33 LYS HD2 H 1 1.651 0.030 . 1 . . . . 33 LYS HD2 . 11369 1 314 . 1 1 33 33 LYS HD3 H 1 1.651 0.030 . 1 . . . . 33 LYS HD3 . 11369 1 315 . 1 1 33 33 LYS HE2 H 1 2.943 0.030 . 1 . . . . 33 LYS HE2 . 11369 1 316 . 1 1 33 33 LYS HE3 H 1 2.943 0.030 . 1 . . . . 33 LYS HE3 . 11369 1 317 . 1 1 33 33 LYS HG2 H 1 1.560 0.030 . 2 . . . . 33 LYS HG2 . 11369 1 318 . 1 1 33 33 LYS HG3 H 1 1.438 0.030 . 2 . . . . 33 LYS HG3 . 11369 1 319 . 1 1 33 33 LYS C C 13 178.677 0.300 . 1 . . . . 33 LYS C . 11369 1 320 . 1 1 33 33 LYS CA C 13 58.642 0.300 . 1 . . . . 33 LYS CA . 11369 1 321 . 1 1 33 33 LYS CB C 13 32.260 0.300 . 1 . . . . 33 LYS CB . 11369 1 322 . 1 1 33 33 LYS CD C 13 29.103 0.300 . 1 . . . . 33 LYS CD . 11369 1 323 . 1 1 33 33 LYS CE C 13 42.138 0.300 . 1 . . . . 33 LYS CE . 11369 1 324 . 1 1 33 33 LYS CG C 13 25.080 0.300 . 1 . . . . 33 LYS CG . 11369 1 325 . 1 1 33 33 LYS N N 15 117.603 0.300 . 1 . . . . 33 LYS N . 11369 1 326 . 1 1 34 34 VAL H H 1 7.866 0.030 . 1 . . . . 34 VAL H . 11369 1 327 . 1 1 34 34 VAL HA H 1 3.921 0.030 . 1 . . . . 34 VAL HA . 11369 1 328 . 1 1 34 34 VAL HB H 1 1.909 0.030 . 1 . . . . 34 VAL HB . 11369 1 329 . 1 1 34 34 VAL HG11 H 1 0.488 0.030 . 1 . . . . 34 VAL HG1 . 11369 1 330 . 1 1 34 34 VAL HG12 H 1 0.488 0.030 . 1 . . . . 34 VAL HG1 . 11369 1 331 . 1 1 34 34 VAL HG13 H 1 0.488 0.030 . 1 . . . . 34 VAL HG1 . 11369 1 332 . 1 1 34 34 VAL HG21 H 1 0.640 0.030 . 1 . . . . 34 VAL HG2 . 11369 1 333 . 1 1 34 34 VAL HG22 H 1 0.640 0.030 . 1 . . . . 34 VAL HG2 . 11369 1 334 . 1 1 34 34 VAL HG23 H 1 0.640 0.030 . 1 . . . . 34 VAL HG2 . 11369 1 335 . 1 1 34 34 VAL C C 13 177.313 0.300 . 1 . . . . 34 VAL C . 11369 1 336 . 1 1 34 34 VAL CA C 13 63.894 0.300 . 1 . . . . 34 VAL CA . 11369 1 337 . 1 1 34 34 VAL CB C 13 31.112 0.300 . 1 . . . . 34 VAL CB . 11369 1 338 . 1 1 34 34 VAL CG1 C 13 19.647 0.300 . 2 . . . . 34 VAL CG1 . 11369 1 339 . 1 1 34 34 VAL CG2 C 13 19.914 0.300 . 2 . . . . 34 VAL CG2 . 11369 1 340 . 1 1 34 34 VAL N N 15 115.892 0.300 . 1 . . . . 34 VAL N . 11369 1 341 . 1 1 35 35 HIS H H 1 7.214 0.030 . 1 . . . . 35 HIS H . 11369 1 342 . 1 1 35 35 HIS HA H 1 4.849 0.030 . 1 . . . . 35 HIS HA . 11369 1 343 . 1 1 35 35 HIS HB2 H 1 3.256 0.030 . 2 . . . . 35 HIS HB2 . 11369 1 344 . 1 1 35 35 HIS HB3 H 1 3.199 0.030 . 2 . . . . 35 HIS HB3 . 11369 1 345 . 1 1 35 35 HIS HD2 H 1 6.664 0.030 . 1 . . . . 35 HIS HD2 . 11369 1 346 . 1 1 35 35 HIS HE1 H 1 8.036 0.030 . 1 . . . . 35 HIS HE1 . 11369 1 347 . 1 1 35 35 HIS C C 13 175.673 0.300 . 1 . . . . 35 HIS C . 11369 1 348 . 1 1 35 35 HIS CA C 13 55.209 0.300 . 1 . . . . 35 HIS CA . 11369 1 349 . 1 1 35 35 HIS CB C 13 28.593 0.300 . 1 . . . . 35 HIS CB . 11369 1 350 . 1 1 35 35 HIS CD2 C 13 127.567 0.300 . 1 . . . . 35 HIS CD2 . 11369 1 351 . 1 1 35 35 HIS CE1 C 13 140.170 0.300 . 1 . . . . 35 HIS CE1 . 11369 1 352 . 1 1 35 35 HIS N N 15 116.839 0.300 . 1 . . . . 35 HIS N . 11369 1 353 . 1 1 36 36 THR H H 1 7.679 0.030 . 1 . . . . 36 THR H . 11369 1 354 . 1 1 36 36 THR HA H 1 4.291 0.030 . 1 . . . . 36 THR HA . 11369 1 355 . 1 1 36 36 THR HB H 1 4.276 0.030 . 1 . . . . 36 THR HB . 11369 1 356 . 1 1 36 36 THR HG21 H 1 1.223 0.030 . 1 . . . . 36 THR HG2 . 11369 1 357 . 1 1 36 36 THR HG22 H 1 1.223 0.030 . 1 . . . . 36 THR HG2 . 11369 1 358 . 1 1 36 36 THR HG23 H 1 1.223 0.030 . 1 . . . . 36 THR HG2 . 11369 1 359 . 1 1 36 36 THR C C 13 175.272 0.300 . 1 . . . . 36 THR C . 11369 1 360 . 1 1 36 36 THR CA C 13 62.881 0.300 . 1 . . . . 36 THR CA . 11369 1 361 . 1 1 36 36 THR CB C 13 69.726 0.300 . 1 . . . . 36 THR CB . 11369 1 362 . 1 1 36 36 THR CG2 C 13 21.601 0.300 . 1 . . . . 36 THR CG2 . 11369 1 363 . 1 1 36 36 THR N N 15 113.089 0.300 . 1 . . . . 36 THR N . 11369 1 364 . 1 1 37 37 GLY H H 1 8.285 0.030 . 1 . . . . 37 GLY H . 11369 1 365 . 1 1 37 37 GLY HA2 H 1 3.975 0.030 . 1 . . . . 37 GLY HA2 . 11369 1 366 . 1 1 37 37 GLY HA3 H 1 3.975 0.030 . 1 . . . . 37 GLY HA3 . 11369 1 367 . 1 1 37 37 GLY C C 13 174.076 0.300 . 1 . . . . 37 GLY C . 11369 1 368 . 1 1 37 37 GLY CA C 13 45.310 0.300 . 1 . . . . 37 GLY CA . 11369 1 369 . 1 1 37 37 GLY N N 15 110.927 0.300 . 1 . . . . 37 GLY N . 11369 1 370 . 1 1 38 38 GLU H H 1 7.975 0.030 . 1 . . . . 38 GLU H . 11369 1 371 . 1 1 38 38 GLU HA H 1 4.244 0.030 . 1 . . . . 38 GLU HA . 11369 1 372 . 1 1 38 38 GLU HB2 H 1 2.005 0.030 . 2 . . . . 38 GLU HB2 . 11369 1 373 . 1 1 38 38 GLU HB3 H 1 1.931 0.030 . 2 . . . . 38 GLU HB3 . 11369 1 374 . 1 1 38 38 GLU HG2 H 1 2.227 0.030 . 1 . . . . 38 GLU HG2 . 11369 1 375 . 1 1 38 38 GLU HG3 H 1 2.227 0.030 . 1 . . . . 38 GLU HG3 . 11369 1 376 . 1 1 38 38 GLU C C 13 176.226 0.300 . 1 . . . . 38 GLU C . 11369 1 377 . 1 1 38 38 GLU CA C 13 56.481 0.300 . 1 . . . . 38 GLU CA . 11369 1 378 . 1 1 38 38 GLU CB C 13 30.520 0.300 . 1 . . . . 38 GLU CB . 11369 1 379 . 1 1 38 38 GLU CG C 13 36.221 0.300 . 1 . . . . 38 GLU CG . 11369 1 380 . 1 1 38 38 GLU N N 15 120.420 0.300 . 1 . . . . 38 GLU N . 11369 1 381 . 1 1 39 39 ARG H H 1 8.360 0.030 . 1 . . . . 39 ARG H . 11369 1 382 . 1 1 39 39 ARG HA H 1 4.626 0.030 . 1 . . . . 39 ARG HA . 11369 1 383 . 1 1 39 39 ARG HB2 H 1 1.834 0.030 . 2 . . . . 39 ARG HB2 . 11369 1 384 . 1 1 39 39 ARG HB3 H 1 1.712 0.030 . 2 . . . . 39 ARG HB3 . 11369 1 385 . 1 1 39 39 ARG HD2 H 1 3.206 0.030 . 1 . . . . 39 ARG HD2 . 11369 1 386 . 1 1 39 39 ARG HD3 H 1 3.206 0.030 . 1 . . . . 39 ARG HD3 . 11369 1 387 . 1 1 39 39 ARG HG2 H 1 1.666 0.030 . 1 . . . . 39 ARG HG2 . 11369 1 388 . 1 1 39 39 ARG HG3 H 1 1.666 0.030 . 1 . . . . 39 ARG HG3 . 11369 1 389 . 1 1 39 39 ARG C C 13 174.156 0.300 . 1 . . . . 39 ARG C . 11369 1 390 . 1 1 39 39 ARG CA C 13 53.847 0.300 . 1 . . . . 39 ARG CA . 11369 1 391 . 1 1 39 39 ARG CB C 13 30.322 0.300 . 1 . . . . 39 ARG CB . 11369 1 392 . 1 1 39 39 ARG CD C 13 43.406 0.300 . 1 . . . . 39 ARG CD . 11369 1 393 . 1 1 39 39 ARG CG C 13 26.779 0.300 . 1 . . . . 39 ARG CG . 11369 1 394 . 1 1 39 39 ARG N N 15 123.007 0.300 . 1 . . . . 39 ARG N . 11369 1 395 . 1 1 40 40 PRO HA H 1 4.452 0.030 . 1 . . . . 40 PRO HA . 11369 1 396 . 1 1 40 40 PRO HB2 H 1 1.952 0.030 . 1 . . . . 40 PRO HB2 . 11369 1 397 . 1 1 40 40 PRO HB3 H 1 1.952 0.030 . 1 . . . . 40 PRO HB3 . 11369 1 398 . 1 1 40 40 PRO HD2 H 1 3.806 0.030 . 2 . . . . 40 PRO HD2 . 11369 1 399 . 1 1 40 40 PRO HD3 H 1 3.629 0.030 . 2 . . . . 40 PRO HD3 . 11369 1 400 . 1 1 40 40 PRO HG2 H 1 2.025 0.030 . 2 . . . . 40 PRO HG2 . 11369 1 401 . 1 1 40 40 PRO HG3 H 1 1.991 0.030 . 2 . . . . 40 PRO HG3 . 11369 1 402 . 1 1 40 40 PRO C C 13 177.335 0.300 . 1 . . . . 40 PRO C . 11369 1 403 . 1 1 40 40 PRO CA C 13 63.257 0.300 . 1 . . . . 40 PRO CA . 11369 1 404 . 1 1 40 40 PRO CB C 13 32.203 0.300 . 1 . . . . 40 PRO CB . 11369 1 405 . 1 1 40 40 PRO CD C 13 50.652 0.300 . 1 . . . . 40 PRO CD . 11369 1 406 . 1 1 40 40 PRO CG C 13 27.406 0.300 . 1 . . . . 40 PRO CG . 11369 1 407 . 1 1 41 41 SER H H 1 8.500 0.030 . 1 . . . . 41 SER H . 11369 1 408 . 1 1 41 41 SER HA H 1 4.458 0.030 . 1 . . . . 41 SER HA . 11369 1 409 . 1 1 41 41 SER HB2 H 1 3.841 0.030 . 2 . . . . 41 SER HB2 . 11369 1 410 . 1 1 41 41 SER C C 13 174.594 0.300 . 1 . . . . 41 SER C . 11369 1 411 . 1 1 41 41 SER CA C 13 58.335 0.300 . 1 . . . . 41 SER CA . 11369 1 412 . 1 1 41 41 SER CB C 13 63.764 0.300 . 1 . . . . 41 SER CB . 11369 1 413 . 1 1 41 41 SER N N 15 116.396 0.300 . 1 . . . . 41 SER N . 11369 1 414 . 1 1 42 42 GLY H H 1 8.177 0.030 . 1 . . . . 42 GLY H . 11369 1 415 . 1 1 42 42 GLY HA2 H 1 4.129 0.030 . 1 . . . . 42 GLY HA2 . 11369 1 416 . 1 1 42 42 GLY HA3 H 1 4.129 0.030 . 1 . . . . 42 GLY HA3 . 11369 1 417 . 1 1 42 42 GLY C C 13 171.721 0.300 . 1 . . . . 42 GLY C . 11369 1 418 . 1 1 42 42 GLY CA C 13 44.645 0.300 . 1 . . . . 42 GLY CA . 11369 1 419 . 1 1 42 42 GLY N N 15 110.583 0.300 . 1 . . . . 42 GLY N . 11369 1 420 . 1 1 43 43 PRO HA H 1 4.469 0.030 . 1 . . . . 43 PRO HA . 11369 1 421 . 1 1 43 43 PRO HB2 H 1 2.303 0.030 . 2 . . . . 43 PRO HB2 . 11369 1 422 . 1 1 43 43 PRO HB3 H 1 1.949 0.030 . 2 . . . . 43 PRO HB3 . 11369 1 423 . 1 1 43 43 PRO HD2 H 1 3.620 0.030 . 1 . . . . 43 PRO HD2 . 11369 1 424 . 1 1 43 43 PRO HD3 H 1 3.620 0.030 . 1 . . . . 43 PRO HD3 . 11369 1 425 . 1 1 43 43 PRO HG2 H 1 2.011 0.030 . 1 . . . . 43 PRO HG2 . 11369 1 426 . 1 1 43 43 PRO HG3 H 1 2.011 0.030 . 1 . . . . 43 PRO HG3 . 11369 1 427 . 1 1 43 43 PRO C C 13 176.898 0.300 . 1 . . . . 43 PRO C . 11369 1 428 . 1 1 43 43 PRO CA C 13 63.254 0.300 . 1 . . . . 43 PRO CA . 11369 1 429 . 1 1 43 43 PRO CB C 13 32.129 0.300 . 1 . . . . 43 PRO CB . 11369 1 430 . 1 1 43 43 PRO CD C 13 49.810 0.300 . 1 . . . . 43 PRO CD . 11369 1 431 . 1 1 43 43 PRO CG C 13 27.155 0.300 . 1 . . . . 43 PRO CG . 11369 1 432 . 1 1 44 44 SER H H 1 8.425 0.030 . 1 . . . . 44 SER H . 11369 1 433 . 1 1 44 44 SER HA H 1 4.470 0.030 . 1 . . . . 44 SER HA . 11369 1 434 . 1 1 44 44 SER HB2 H 1 3.868 0.030 . 2 . . . . 44 SER HB2 . 11369 1 435 . 1 1 44 44 SER C C 13 174.587 0.300 . 1 . . . . 44 SER C . 11369 1 436 . 1 1 44 44 SER CA C 13 58.573 0.300 . 1 . . . . 44 SER CA . 11369 1 437 . 1 1 44 44 SER CB C 13 63.534 0.300 . 1 . . . . 44 SER CB . 11369 1 438 . 1 1 44 44 SER N N 15 116.286 0.300 . 1 . . . . 44 SER N . 11369 1 439 . 1 1 45 45 SER H H 1 8.285 0.030 . 1 . . . . 45 SER H . 11369 1 440 . 1 1 45 45 SER HA H 1 4.444 0.030 . 1 . . . . 45 SER HA . 11369 1 441 . 1 1 45 45 SER HB2 H 1 3.830 0.030 . 2 . . . . 45 SER HB2 . 11369 1 442 . 1 1 45 45 SER C C 13 173.871 0.300 . 1 . . . . 45 SER C . 11369 1 443 . 1 1 45 45 SER CA C 13 58.320 0.300 . 1 . . . . 45 SER CA . 11369 1 444 . 1 1 45 45 SER CB C 13 64.081 0.300 . 1 . . . . 45 SER CB . 11369 1 445 . 1 1 45 45 SER N N 15 117.797 0.300 . 1 . . . . 45 SER N . 11369 1 446 . 1 1 46 46 GLY H H 1 8.013 0.030 . 1 . . . . 46 GLY H . 11369 1 447 . 1 1 46 46 GLY HA2 H 1 4.038 0.030 . 2 . . . . 46 GLY HA2 . 11369 1 448 . 1 1 46 46 GLY HA3 H 1 4.006 0.030 . 2 . . . . 46 GLY HA3 . 11369 1 449 . 1 1 46 46 GLY C C 13 178.910 0.300 . 1 . . . . 46 GLY C . 11369 1 450 . 1 1 46 46 GLY CA C 13 45.957 0.300 . 1 . . . . 46 GLY CA . 11369 1 451 . 1 1 46 46 GLY N N 15 116.817 0.300 . 1 . . . . 46 GLY N . 11369 1 stop_ save_