################################### # 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 11169 _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 11169 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11169 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 . . 11169 1 2 $NMRPipe . . 11169 1 3 $NMRVIEW . . 11169 1 4 $Kujira . . 11169 1 5 $CYANA . . 11169 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 8 8 THR HA H 1 4.370 0.030 . 1 . . . . 8 THR HA . 11169 1 2 . 1 1 8 8 THR HB H 1 4.313 0.030 . 1 . . . . 8 THR HB . 11169 1 3 . 1 1 8 8 THR HG21 H 1 1.191 0.030 . 1 . . . . 8 THR HG2 . 11169 1 4 . 1 1 8 8 THR HG22 H 1 1.191 0.030 . 1 . . . . 8 THR HG2 . 11169 1 5 . 1 1 8 8 THR HG23 H 1 1.191 0.030 . 1 . . . . 8 THR HG2 . 11169 1 6 . 1 1 8 8 THR C C 13 175.277 0.300 . 1 . . . . 8 THR C . 11169 1 7 . 1 1 8 8 THR CA C 13 61.843 0.300 . 1 . . . . 8 THR CA . 11169 1 8 . 1 1 8 8 THR CB C 13 69.745 0.300 . 1 . . . . 8 THR CB . 11169 1 9 . 1 1 8 8 THR CG2 C 13 21.549 0.300 . 1 . . . . 8 THR CG2 . 11169 1 10 . 1 1 9 9 GLY H H 1 8.448 0.030 . 1 . . . . 9 GLY H . 11169 1 11 . 1 1 9 9 GLY HA2 H 1 4.034 0.030 . 2 . . . . 9 GLY HA2 . 11169 1 12 . 1 1 9 9 GLY HA3 H 1 3.930 0.030 . 2 . . . . 9 GLY HA3 . 11169 1 13 . 1 1 9 9 GLY C C 13 173.960 0.300 . 1 . . . . 9 GLY C . 11169 1 14 . 1 1 9 9 GLY CA C 13 45.387 0.300 . 1 . . . . 9 GLY CA . 11169 1 15 . 1 1 9 9 GLY N N 15 111.127 0.300 . 1 . . . . 9 GLY N . 11169 1 16 . 1 1 10 10 GLU H H 1 8.211 0.030 . 1 . . . . 10 GLU H . 11169 1 17 . 1 1 10 10 GLU HA H 1 4.216 0.030 . 1 . . . . 10 GLU HA . 11169 1 18 . 1 1 10 10 GLU HB2 H 1 1.998 0.030 . 2 . . . . 10 GLU HB2 . 11169 1 19 . 1 1 10 10 GLU HB3 H 1 1.882 0.030 . 2 . . . . 10 GLU HB3 . 11169 1 20 . 1 1 10 10 GLU HG2 H 1 2.244 0.030 . 2 . . . . 10 GLU HG2 . 11169 1 21 . 1 1 10 10 GLU HG3 H 1 2.199 0.030 . 2 . . . . 10 GLU HG3 . 11169 1 22 . 1 1 10 10 GLU C C 13 176.125 0.300 . 1 . . . . 10 GLU C . 11169 1 23 . 1 1 10 10 GLU CA C 13 56.619 0.300 . 1 . . . . 10 GLU CA . 11169 1 24 . 1 1 10 10 GLU CB C 13 30.519 0.300 . 1 . . . . 10 GLU CB . 11169 1 25 . 1 1 10 10 GLU CG C 13 36.262 0.300 . 1 . . . . 10 GLU CG . 11169 1 26 . 1 1 10 10 GLU N N 15 120.581 0.300 . 1 . . . . 10 GLU N . 11169 1 27 . 1 1 11 11 LYS H H 1 8.239 0.030 . 1 . . . . 11 LYS H . 11169 1 28 . 1 1 11 11 LYS HA H 1 4.528 0.030 . 1 . . . . 11 LYS HA . 11169 1 29 . 1 1 11 11 LYS HB2 H 1 1.588 0.030 . 1 . . . . 11 LYS HB2 . 11169 1 30 . 1 1 11 11 LYS HB3 H 1 1.588 0.030 . 1 . . . . 11 LYS HB3 . 11169 1 31 . 1 1 11 11 LYS HD2 H 1 1.544 0.030 . 1 . . . . 11 LYS HD2 . 11169 1 32 . 1 1 11 11 LYS HD3 H 1 1.544 0.030 . 1 . . . . 11 LYS HD3 . 11169 1 33 . 1 1 11 11 LYS HE2 H 1 2.918 0.030 . 1 . . . . 11 LYS HE2 . 11169 1 34 . 1 1 11 11 LYS HE3 H 1 2.918 0.030 . 1 . . . . 11 LYS HE3 . 11169 1 35 . 1 1 11 11 LYS HG2 H 1 1.359 0.030 . 2 . . . . 11 LYS HG2 . 11169 1 36 . 1 1 11 11 LYS HG3 H 1 1.286 0.030 . 2 . . . . 11 LYS HG3 . 11169 1 37 . 1 1 11 11 LYS C C 13 174.254 0.300 . 1 . . . . 11 LYS C . 11169 1 38 . 1 1 11 11 LYS CA C 13 53.813 0.300 . 1 . . . . 11 LYS CA . 11169 1 39 . 1 1 11 11 LYS CB C 13 32.576 0.300 . 1 . . . . 11 LYS CB . 11169 1 40 . 1 1 11 11 LYS CD C 13 29.269 0.300 . 1 . . . . 11 LYS CD . 11169 1 41 . 1 1 11 11 LYS CE C 13 42.047 0.300 . 1 . . . . 11 LYS CE . 11169 1 42 . 1 1 11 11 LYS CG C 13 24.632 0.300 . 1 . . . . 11 LYS CG . 11169 1 43 . 1 1 11 11 LYS N N 15 122.718 0.300 . 1 . . . . 11 LYS N . 11169 1 44 . 1 1 12 12 PRO HA H 1 4.313 0.030 . 1 . . . . 12 PRO HA . 11169 1 45 . 1 1 12 12 PRO HB2 H 1 1.435 0.030 . 2 . . . . 12 PRO HB2 . 11169 1 46 . 1 1 12 12 PRO HB3 H 1 2.008 0.030 . 2 . . . . 12 PRO HB3 . 11169 1 47 . 1 1 12 12 PRO HD2 H 1 3.588 0.030 . 2 . . . . 12 PRO HD2 . 11169 1 48 . 1 1 12 12 PRO HD3 H 1 3.700 0.030 . 2 . . . . 12 PRO HD3 . 11169 1 49 . 1 1 12 12 PRO HG2 H 1 1.823 0.030 . 2 . . . . 12 PRO HG2 . 11169 1 50 . 1 1 12 12 PRO HG3 H 1 1.749 0.030 . 2 . . . . 12 PRO HG3 . 11169 1 51 . 1 1 12 12 PRO C C 13 175.980 0.300 . 1 . . . . 12 PRO C . 11169 1 52 . 1 1 12 12 PRO CA C 13 63.165 0.300 . 1 . . . . 12 PRO CA . 11169 1 53 . 1 1 12 12 PRO CB C 13 32.373 0.300 . 1 . . . . 12 PRO CB . 11169 1 54 . 1 1 12 12 PRO CD C 13 50.380 0.300 . 1 . . . . 12 PRO CD . 11169 1 55 . 1 1 12 12 PRO CG C 13 26.986 0.300 . 1 . . . . 12 PRO CG . 11169 1 56 . 1 1 13 13 TYR H H 1 8.270 0.030 . 1 . . . . 13 TYR H . 11169 1 57 . 1 1 13 13 TYR HA H 1 4.533 0.030 . 1 . . . . 13 TYR HA . 11169 1 58 . 1 1 13 13 TYR HB2 H 1 2.990 0.030 . 2 . . . . 13 TYR HB2 . 11169 1 59 . 1 1 13 13 TYR HB3 H 1 2.815 0.030 . 2 . . . . 13 TYR HB3 . 11169 1 60 . 1 1 13 13 TYR HD1 H 1 7.052 0.030 . 1 . . . . 13 TYR HD1 . 11169 1 61 . 1 1 13 13 TYR HD2 H 1 7.052 0.030 . 1 . . . . 13 TYR HD2 . 11169 1 62 . 1 1 13 13 TYR HE1 H 1 6.909 0.030 . 1 . . . . 13 TYR HE1 . 11169 1 63 . 1 1 13 13 TYR HE2 H 1 6.909 0.030 . 1 . . . . 13 TYR HE2 . 11169 1 64 . 1 1 13 13 TYR C C 13 174.715 0.300 . 1 . . . . 13 TYR C . 11169 1 65 . 1 1 13 13 TYR CA C 13 57.828 0.300 . 1 . . . . 13 TYR CA . 11169 1 66 . 1 1 13 13 TYR CB C 13 38.873 0.300 . 1 . . . . 13 TYR CB . 11169 1 67 . 1 1 13 13 TYR CD1 C 13 133.400 0.300 . 1 . . . . 13 TYR CD1 . 11169 1 68 . 1 1 13 13 TYR CD2 C 13 133.400 0.300 . 1 . . . . 13 TYR CD2 . 11169 1 69 . 1 1 13 13 TYR CE1 C 13 118.447 0.300 . 1 . . . . 13 TYR CE1 . 11169 1 70 . 1 1 13 13 TYR CE2 C 13 118.447 0.300 . 1 . . . . 13 TYR CE2 . 11169 1 71 . 1 1 13 13 TYR N N 15 119.151 0.300 . 1 . . . . 13 TYR N . 11169 1 72 . 1 1 14 14 GLU H H 1 8.609 0.030 . 1 . . . . 14 GLU H . 11169 1 73 . 1 1 14 14 GLU HA H 1 4.819 0.030 . 1 . . . . 14 GLU HA . 11169 1 74 . 1 1 14 14 GLU HB2 H 1 1.820 0.030 . 1 . . . . 14 GLU HB2 . 11169 1 75 . 1 1 14 14 GLU HB3 H 1 1.820 0.030 . 1 . . . . 14 GLU HB3 . 11169 1 76 . 1 1 14 14 GLU HG2 H 1 1.990 0.030 . 2 . . . . 14 GLU HG2 . 11169 1 77 . 1 1 14 14 GLU HG3 H 1 1.920 0.030 . 2 . . . . 14 GLU HG3 . 11169 1 78 . 1 1 14 14 GLU C C 13 175.372 0.300 . 1 . . . . 14 GLU C . 11169 1 79 . 1 1 14 14 GLU CA C 13 54.971 0.300 . 1 . . . . 14 GLU CA . 11169 1 80 . 1 1 14 14 GLU CB C 13 32.843 0.300 . 1 . . . . 14 GLU CB . 11169 1 81 . 1 1 14 14 GLU CG C 13 36.493 0.300 . 1 . . . . 14 GLU CG . 11169 1 82 . 1 1 14 14 GLU N N 15 124.143 0.300 . 1 . . . . 14 GLU N . 11169 1 83 . 1 1 15 15 CYS H H 1 9.222 0.030 . 1 . . . . 15 CYS H . 11169 1 84 . 1 1 15 15 CYS HA H 1 4.598 0.030 . 1 . . . . 15 CYS HA . 11169 1 85 . 1 1 15 15 CYS HB2 H 1 2.874 0.030 . 2 . . . . 15 CYS HB2 . 11169 1 86 . 1 1 15 15 CYS HB3 H 1 3.418 0.030 . 2 . . . . 15 CYS HB3 . 11169 1 87 . 1 1 15 15 CYS C C 13 177.434 0.300 . 1 . . . . 15 CYS C . 11169 1 88 . 1 1 15 15 CYS CA C 13 59.468 0.300 . 1 . . . . 15 CYS CA . 11169 1 89 . 1 1 15 15 CYS CB C 13 29.681 0.300 . 1 . . . . 15 CYS CB . 11169 1 90 . 1 1 15 15 CYS N N 15 126.850 0.300 . 1 . . . . 15 CYS N . 11169 1 91 . 1 1 16 16 SER H H 1 9.362 0.030 . 1 . . . . 16 SER H . 11169 1 92 . 1 1 16 16 SER HA H 1 4.298 0.030 . 1 . . . . 16 SER HA . 11169 1 93 . 1 1 16 16 SER HB2 H 1 4.022 0.030 . 2 . . . . 16 SER HB2 . 11169 1 94 . 1 1 16 16 SER HB3 H 1 3.974 0.030 . 2 . . . . 16 SER HB3 . 11169 1 95 . 1 1 16 16 SER C C 13 174.487 0.300 . 1 . . . . 16 SER C . 11169 1 96 . 1 1 16 16 SER CA C 13 61.048 0.300 . 1 . . . . 16 SER CA . 11169 1 97 . 1 1 16 16 SER CB C 13 63.109 0.300 . 1 . . . . 16 SER CB . 11169 1 98 . 1 1 16 16 SER N N 15 128.285 0.300 . 1 . . . . 16 SER N . 11169 1 99 . 1 1 17 17 ASP H H 1 8.609 0.030 . 1 . . . . 17 ASP H . 11169 1 100 . 1 1 17 17 ASP HA H 1 4.548 0.030 . 1 . . . . 17 ASP HA . 11169 1 101 . 1 1 17 17 ASP HB2 H 1 1.807 0.030 . 2 . . . . 17 ASP HB2 . 11169 1 102 . 1 1 17 17 ASP HB3 H 1 1.696 0.030 . 2 . . . . 17 ASP HB3 . 11169 1 103 . 1 1 17 17 ASP C C 13 176.857 0.300 . 1 . . . . 17 ASP C . 11169 1 104 . 1 1 17 17 ASP CA C 13 56.920 0.300 . 1 . . . . 17 ASP CA . 11169 1 105 . 1 1 17 17 ASP CB C 13 41.260 0.300 . 1 . . . . 17 ASP CB . 11169 1 106 . 1 1 17 17 ASP N N 15 122.622 0.300 . 1 . . . . 17 ASP N . 11169 1 107 . 1 1 18 18 CYS H H 1 7.847 0.030 . 1 . . . . 18 CYS H . 11169 1 108 . 1 1 18 18 CYS HA H 1 5.146 0.030 . 1 . . . . 18 CYS HA . 11169 1 109 . 1 1 18 18 CYS HB2 H 1 3.412 0.030 . 2 . . . . 18 CYS HB2 . 11169 1 110 . 1 1 18 18 CYS HB3 H 1 2.881 0.030 . 2 . . . . 18 CYS HB3 . 11169 1 111 . 1 1 18 18 CYS C C 13 176.128 0.300 . 1 . . . . 18 CYS C . 11169 1 112 . 1 1 18 18 CYS CA C 13 58.767 0.300 . 1 . . . . 18 CYS CA . 11169 1 113 . 1 1 18 18 CYS CB C 13 32.365 0.300 . 1 . . . . 18 CYS CB . 11169 1 114 . 1 1 18 18 CYS N N 15 114.691 0.300 . 1 . . . . 18 CYS N . 11169 1 115 . 1 1 19 19 GLY H H 1 8.294 0.030 . 1 . . . . 19 GLY H . 11169 1 116 . 1 1 19 19 GLY HA2 H 1 3.888 0.030 . 2 . . . . 19 GLY HA2 . 11169 1 117 . 1 1 19 19 GLY HA3 H 1 4.232 0.030 . 2 . . . . 19 GLY HA3 . 11169 1 118 . 1 1 19 19 GLY C C 13 173.941 0.300 . 1 . . . . 19 GLY C . 11169 1 119 . 1 1 19 19 GLY CA C 13 46.165 0.300 . 1 . . . . 19 GLY CA . 11169 1 120 . 1 1 19 19 GLY N N 15 113.209 0.300 . 1 . . . . 19 GLY N . 11169 1 121 . 1 1 20 20 LYS H H 1 7.988 0.030 . 1 . . . . 20 LYS H . 11169 1 122 . 1 1 20 20 LYS HA H 1 4.039 0.030 . 1 . . . . 20 LYS HA . 11169 1 123 . 1 1 20 20 LYS HB2 H 1 1.392 0.030 . 2 . . . . 20 LYS HB2 . 11169 1 124 . 1 1 20 20 LYS HB3 H 1 1.254 0.030 . 2 . . . . 20 LYS HB3 . 11169 1 125 . 1 1 20 20 LYS HD2 H 1 1.532 0.030 . 2 . . . . 20 LYS HD2 . 11169 1 126 . 1 1 20 20 LYS HD3 H 1 1.484 0.030 . 2 . . . . 20 LYS HD3 . 11169 1 127 . 1 1 20 20 LYS HE2 H 1 3.009 0.030 . 2 . . . . 20 LYS HE2 . 11169 1 128 . 1 1 20 20 LYS HE3 H 1 2.943 0.030 . 2 . . . . 20 LYS HE3 . 11169 1 129 . 1 1 20 20 LYS HG2 H 1 1.482 0.030 . 2 . . . . 20 LYS HG2 . 11169 1 130 . 1 1 20 20 LYS HG3 H 1 1.171 0.030 . 2 . . . . 20 LYS HG3 . 11169 1 131 . 1 1 20 20 LYS C C 13 174.288 0.300 . 1 . . . . 20 LYS C . 11169 1 132 . 1 1 20 20 LYS CA C 13 57.965 0.300 . 1 . . . . 20 LYS CA . 11169 1 133 . 1 1 20 20 LYS CB C 13 33.676 0.300 . 1 . . . . 20 LYS CB . 11169 1 134 . 1 1 20 20 LYS CD C 13 29.213 0.300 . 1 . . . . 20 LYS CD . 11169 1 135 . 1 1 20 20 LYS CE C 13 42.248 0.300 . 1 . . . . 20 LYS CE . 11169 1 136 . 1 1 20 20 LYS CG C 13 26.358 0.300 . 1 . . . . 20 LYS CG . 11169 1 137 . 1 1 20 20 LYS N N 15 122.903 0.300 . 1 . . . . 20 LYS N . 11169 1 138 . 1 1 21 21 SER H H 1 7.797 0.030 . 1 . . . . 21 SER H . 11169 1 139 . 1 1 21 21 SER HA H 1 5.294 0.030 . 1 . . . . 21 SER HA . 11169 1 140 . 1 1 21 21 SER HB2 H 1 3.553 0.030 . 1 . . . . 21 SER HB2 . 11169 1 141 . 1 1 21 21 SER HB3 H 1 3.553 0.030 . 1 . . . . 21 SER HB3 . 11169 1 142 . 1 1 21 21 SER C C 13 173.161 0.300 . 1 . . . . 21 SER C . 11169 1 143 . 1 1 21 21 SER CA C 13 56.684 0.300 . 1 . . . . 21 SER CA . 11169 1 144 . 1 1 21 21 SER CB C 13 66.031 0.300 . 1 . . . . 21 SER CB . 11169 1 145 . 1 1 21 21 SER N N 15 115.115 0.300 . 1 . . . . 21 SER N . 11169 1 146 . 1 1 22 22 PHE H H 1 8.668 0.030 . 1 . . . . 22 PHE H . 11169 1 147 . 1 1 22 22 PHE HA H 1 4.745 0.030 . 1 . . . . 22 PHE HA . 11169 1 148 . 1 1 22 22 PHE HB2 H 1 2.577 0.030 . 2 . . . . 22 PHE HB2 . 11169 1 149 . 1 1 22 22 PHE HB3 H 1 3.489 0.030 . 2 . . . . 22 PHE HB3 . 11169 1 150 . 1 1 22 22 PHE HD1 H 1 7.171 0.030 . 1 . . . . 22 PHE HD1 . 11169 1 151 . 1 1 22 22 PHE HD2 H 1 7.171 0.030 . 1 . . . . 22 PHE HD2 . 11169 1 152 . 1 1 22 22 PHE HE1 H 1 6.835 0.030 . 1 . . . . 22 PHE HE1 . 11169 1 153 . 1 1 22 22 PHE HE2 H 1 6.835 0.030 . 1 . . . . 22 PHE HE2 . 11169 1 154 . 1 1 22 22 PHE HZ H 1 6.227 0.030 . 1 . . . . 22 PHE HZ . 11169 1 155 . 1 1 22 22 PHE C C 13 175.156 0.300 . 1 . . . . 22 PHE C . 11169 1 156 . 1 1 22 22 PHE CA C 13 57.336 0.300 . 1 . . . . 22 PHE CA . 11169 1 157 . 1 1 22 22 PHE CB C 13 43.747 0.300 . 1 . . . . 22 PHE CB . 11169 1 158 . 1 1 22 22 PHE CD1 C 13 132.434 0.300 . 1 . . . . 22 PHE CD1 . 11169 1 159 . 1 1 22 22 PHE CD2 C 13 132.434 0.300 . 1 . . . . 22 PHE CD2 . 11169 1 160 . 1 1 22 22 PHE CE1 C 13 130.601 0.300 . 1 . . . . 22 PHE CE1 . 11169 1 161 . 1 1 22 22 PHE CE2 C 13 130.601 0.300 . 1 . . . . 22 PHE CE2 . 11169 1 162 . 1 1 22 22 PHE CZ C 13 128.788 0.300 . 1 . . . . 22 PHE CZ . 11169 1 163 . 1 1 22 22 PHE N N 15 118.526 0.300 . 1 . . . . 22 PHE N . 11169 1 164 . 1 1 23 23 ILE H H 1 8.709 0.030 . 1 . . . . 23 ILE H . 11169 1 165 . 1 1 23 23 ILE HA H 1 4.228 0.030 . 1 . . . . 23 ILE HA . 11169 1 166 . 1 1 23 23 ILE HB H 1 2.045 0.030 . 1 . . . . 23 ILE HB . 11169 1 167 . 1 1 23 23 ILE HD11 H 1 0.932 0.030 . 1 . . . . 23 ILE HD1 . 11169 1 168 . 1 1 23 23 ILE HD12 H 1 0.932 0.030 . 1 . . . . 23 ILE HD1 . 11169 1 169 . 1 1 23 23 ILE HD13 H 1 0.932 0.030 . 1 . . . . 23 ILE HD1 . 11169 1 170 . 1 1 23 23 ILE HG12 H 1 1.405 0.030 . 2 . . . . 23 ILE HG12 . 11169 1 171 . 1 1 23 23 ILE HG13 H 1 1.643 0.030 . 2 . . . . 23 ILE HG13 . 11169 1 172 . 1 1 23 23 ILE HG21 H 1 1.046 0.030 . 1 . . . . 23 ILE HG2 . 11169 1 173 . 1 1 23 23 ILE HG22 H 1 1.046 0.030 . 1 . . . . 23 ILE HG2 . 11169 1 174 . 1 1 23 23 ILE HG23 H 1 1.046 0.030 . 1 . . . . 23 ILE HG2 . 11169 1 175 . 1 1 23 23 ILE C C 13 176.208 0.300 . 1 . . . . 23 ILE C . 11169 1 176 . 1 1 23 23 ILE CA C 13 63.185 0.300 . 1 . . . . 23 ILE CA . 11169 1 177 . 1 1 23 23 ILE CB C 13 38.637 0.300 . 1 . . . . 23 ILE CB . 11169 1 178 . 1 1 23 23 ILE CD1 C 13 13.027 0.300 . 1 . . . . 23 ILE CD1 . 11169 1 179 . 1 1 23 23 ILE CG1 C 13 28.396 0.300 . 1 . . . . 23 ILE CG1 . 11169 1 180 . 1 1 23 23 ILE CG2 C 13 17.937 0.300 . 1 . . . . 23 ILE CG2 . 11169 1 181 . 1 1 23 23 ILE N N 15 119.926 0.300 . 1 . . . . 23 ILE N . 11169 1 182 . 1 1 24 24 LYS H H 1 7.696 0.030 . 1 . . . . 24 LYS H . 11169 1 183 . 1 1 24 24 LYS HA H 1 4.822 0.030 . 1 . . . . 24 LYS HA . 11169 1 184 . 1 1 24 24 LYS HB2 H 1 1.559 0.030 . 2 . . . . 24 LYS HB2 . 11169 1 185 . 1 1 24 24 LYS HB3 H 1 1.975 0.030 . 2 . . . . 24 LYS HB3 . 11169 1 186 . 1 1 24 24 LYS HD2 H 1 1.735 0.030 . 2 . . . . 24 LYS HD2 . 11169 1 187 . 1 1 24 24 LYS HD3 H 1 1.661 0.030 . 2 . . . . 24 LYS HD3 . 11169 1 188 . 1 1 24 24 LYS HE2 H 1 2.997 0.030 . 1 . . . . 24 LYS HE2 . 11169 1 189 . 1 1 24 24 LYS HE3 H 1 2.997 0.030 . 1 . . . . 24 LYS HE3 . 11169 1 190 . 1 1 24 24 LYS HG2 H 1 1.473 0.030 . 1 . . . . 24 LYS HG2 . 11169 1 191 . 1 1 24 24 LYS HG3 H 1 1.473 0.030 . 1 . . . . 24 LYS HG3 . 11169 1 192 . 1 1 24 24 LYS C C 13 176.724 0.300 . 1 . . . . 24 LYS C . 11169 1 193 . 1 1 24 24 LYS CA C 13 54.149 0.300 . 1 . . . . 24 LYS CA . 11169 1 194 . 1 1 24 24 LYS CB C 13 35.357 0.300 . 1 . . . . 24 LYS CB . 11169 1 195 . 1 1 24 24 LYS CD C 13 29.330 0.300 . 1 . . . . 24 LYS CD . 11169 1 196 . 1 1 24 24 LYS CE C 13 42.140 0.300 . 1 . . . . 24 LYS CE . 11169 1 197 . 1 1 24 24 LYS CG C 13 25.169 0.300 . 1 . . . . 24 LYS CG . 11169 1 198 . 1 1 24 24 LYS N N 15 116.057 0.300 . 1 . . . . 24 LYS N . 11169 1 199 . 1 1 25 25 LYS H H 1 8.523 0.030 . 1 . . . . 25 LYS H . 11169 1 200 . 1 1 25 25 LYS HA H 1 2.877 0.030 . 1 . . . . 25 LYS HA . 11169 1 201 . 1 1 25 25 LYS HB2 H 1 1.310 0.030 . 2 . . . . 25 LYS HB2 . 11169 1 202 . 1 1 25 25 LYS HB3 H 1 0.937 0.030 . 2 . . . . 25 LYS HB3 . 11169 1 203 . 1 1 25 25 LYS HD2 H 1 1.515 0.030 . 1 . . . . 25 LYS HD2 . 11169 1 204 . 1 1 25 25 LYS HD3 H 1 1.515 0.030 . 1 . . . . 25 LYS HD3 . 11169 1 205 . 1 1 25 25 LYS HE2 H 1 2.893 0.030 . 1 . . . . 25 LYS HE2 . 11169 1 206 . 1 1 25 25 LYS HE3 H 1 2.893 0.030 . 1 . . . . 25 LYS HE3 . 11169 1 207 . 1 1 25 25 LYS HG2 H 1 0.841 0.030 . 2 . . . . 25 LYS HG2 . 11169 1 208 . 1 1 25 25 LYS HG3 H 1 0.738 0.030 . 2 . . . . 25 LYS HG3 . 11169 1 209 . 1 1 25 25 LYS C C 13 177.932 0.300 . 1 . . . . 25 LYS C . 11169 1 210 . 1 1 25 25 LYS CA C 13 59.660 0.300 . 1 . . . . 25 LYS CA . 11169 1 211 . 1 1 25 25 LYS CB C 13 31.616 0.300 . 1 . . . . 25 LYS CB . 11169 1 212 . 1 1 25 25 LYS CD C 13 29.269 0.300 . 1 . . . . 25 LYS CD . 11169 1 213 . 1 1 25 25 LYS CE C 13 41.916 0.300 . 1 . . . . 25 LYS CE . 11169 1 214 . 1 1 25 25 LYS CG C 13 24.859 0.300 . 1 . . . . 25 LYS CG . 11169 1 215 . 1 1 25 25 LYS N N 15 127.505 0.300 . 1 . . . . 25 LYS N . 11169 1 216 . 1 1 26 26 SER HA H 1 3.973 0.030 . 1 . . . . 26 SER HA . 11169 1 217 . 1 1 26 26 SER HB2 H 1 3.855 0.030 . 1 . . . . 26 SER HB2 . 11169 1 218 . 1 1 26 26 SER HB3 H 1 3.855 0.030 . 1 . . . . 26 SER HB3 . 11169 1 219 . 1 1 26 26 SER C C 13 177.004 0.300 . 1 . . . . 26 SER C . 11169 1 220 . 1 1 26 26 SER CA C 13 60.709 0.300 . 1 . . . . 26 SER CA . 11169 1 221 . 1 1 26 26 SER CB C 13 61.404 0.300 . 1 . . . . 26 SER CB . 11169 1 222 . 1 1 27 27 GLN H H 1 6.717 0.030 . 1 . . . . 27 GLN H . 11169 1 223 . 1 1 27 27 GLN HA H 1 3.959 0.030 . 1 . . . . 27 GLN HA . 11169 1 224 . 1 1 27 27 GLN HB2 H 1 2.040 0.030 . 2 . . . . 27 GLN HB2 . 11169 1 225 . 1 1 27 27 GLN HB3 H 1 2.506 0.030 . 2 . . . . 27 GLN HB3 . 11169 1 226 . 1 1 27 27 GLN HE21 H 1 6.979 0.030 . 2 . . . . 27 GLN HE21 . 11169 1 227 . 1 1 27 27 GLN HE22 H 1 7.619 0.030 . 2 . . . . 27 GLN HE22 . 11169 1 228 . 1 1 27 27 GLN HG2 H 1 2.511 0.030 . 2 . . . . 27 GLN HG2 . 11169 1 229 . 1 1 27 27 GLN HG3 H 1 2.357 0.030 . 2 . . . . 27 GLN HG3 . 11169 1 230 . 1 1 27 27 GLN C C 13 178.845 0.300 . 1 . . . . 27 GLN C . 11169 1 231 . 1 1 27 27 GLN CA C 13 57.629 0.300 . 1 . . . . 27 GLN CA . 11169 1 232 . 1 1 27 27 GLN CB C 13 28.364 0.300 . 1 . . . . 27 GLN CB . 11169 1 233 . 1 1 27 27 GLN CG C 13 34.226 0.300 . 1 . . . . 27 GLN CG . 11169 1 234 . 1 1 27 27 GLN N N 15 119.936 0.300 . 1 . . . . 27 GLN N . 11169 1 235 . 1 1 27 27 GLN NE2 N 15 111.312 0.300 . 1 . . . . 27 GLN NE2 . 11169 1 236 . 1 1 28 28 LEU H H 1 6.926 0.030 . 1 . . . . 28 LEU H . 11169 1 237 . 1 1 28 28 LEU HA H 1 3.212 0.030 . 1 . . . . 28 LEU HA . 11169 1 238 . 1 1 28 28 LEU HB2 H 1 1.967 0.030 . 2 . . . . 28 LEU HB2 . 11169 1 239 . 1 1 28 28 LEU HB3 H 1 1.194 0.030 . 2 . . . . 28 LEU HB3 . 11169 1 240 . 1 1 28 28 LEU HD11 H 1 1.031 0.030 . 1 . . . . 28 LEU HD1 . 11169 1 241 . 1 1 28 28 LEU HD12 H 1 1.031 0.030 . 1 . . . . 28 LEU HD1 . 11169 1 242 . 1 1 28 28 LEU HD13 H 1 1.031 0.030 . 1 . . . . 28 LEU HD1 . 11169 1 243 . 1 1 28 28 LEU HD21 H 1 0.961 0.030 . 1 . . . . 28 LEU HD2 . 11169 1 244 . 1 1 28 28 LEU HD22 H 1 0.961 0.030 . 1 . . . . 28 LEU HD2 . 11169 1 245 . 1 1 28 28 LEU HD23 H 1 0.961 0.030 . 1 . . . . 28 LEU HD2 . 11169 1 246 . 1 1 28 28 LEU HG H 1 1.476 0.030 . 1 . . . . 28 LEU HG . 11169 1 247 . 1 1 28 28 LEU C C 13 177.565 0.300 . 1 . . . . 28 LEU C . 11169 1 248 . 1 1 28 28 LEU CA C 13 57.804 0.300 . 1 . . . . 28 LEU CA . 11169 1 249 . 1 1 28 28 LEU CB C 13 40.035 0.300 . 1 . . . . 28 LEU CB . 11169 1 250 . 1 1 28 28 LEU CD1 C 13 22.847 0.300 . 2 . . . . 28 LEU CD1 . 11169 1 251 . 1 1 28 28 LEU CD2 C 13 26.419 0.300 . 2 . . . . 28 LEU CD2 . 11169 1 252 . 1 1 28 28 LEU CG C 13 27.481 0.300 . 1 . . . . 28 LEU CG . 11169 1 253 . 1 1 28 28 LEU N N 15 121.935 0.300 . 1 . . . . 28 LEU N . 11169 1 254 . 1 1 29 29 HIS H H 1 7.977 0.030 . 1 . . . . 29 HIS H . 11169 1 255 . 1 1 29 29 HIS HA H 1 4.460 0.030 . 1 . . . . 29 HIS HA . 11169 1 256 . 1 1 29 29 HIS HB2 H 1 3.087 0.030 . 1 . . . . 29 HIS HB2 . 11169 1 257 . 1 1 29 29 HIS HB3 H 1 3.087 0.030 . 1 . . . . 29 HIS HB3 . 11169 1 258 . 1 1 29 29 HIS HD2 H 1 6.830 0.030 . 1 . . . . 29 HIS HD2 . 11169 1 259 . 1 1 29 29 HIS HE1 H 1 7.706 0.030 . 1 . . . . 29 HIS HE1 . 11169 1 260 . 1 1 29 29 HIS C C 13 178.396 0.300 . 1 . . . . 29 HIS C . 11169 1 261 . 1 1 29 29 HIS CA C 13 58.673 0.300 . 1 . . . . 29 HIS CA . 11169 1 262 . 1 1 29 29 HIS CB C 13 29.983 0.300 . 1 . . . . 29 HIS CB . 11169 1 263 . 1 1 29 29 HIS CD2 C 13 119.864 0.300 . 1 . . . . 29 HIS CD2 . 11169 1 264 . 1 1 29 29 HIS CE1 C 13 138.245 0.300 . 1 . . . . 29 HIS CE1 . 11169 1 265 . 1 1 29 29 HIS N N 15 117.786 0.300 . 1 . . . . 29 HIS N . 11169 1 266 . 1 1 30 30 VAL H H 1 7.460 0.030 . 1 . . . . 30 VAL H . 11169 1 267 . 1 1 30 30 VAL HA H 1 3.558 0.030 . 1 . . . . 30 VAL HA . 11169 1 268 . 1 1 30 30 VAL HB H 1 1.944 0.030 . 1 . . . . 30 VAL HB . 11169 1 269 . 1 1 30 30 VAL HG11 H 1 1.067 0.030 . 1 . . . . 30 VAL HG1 . 11169 1 270 . 1 1 30 30 VAL HG12 H 1 1.067 0.030 . 1 . . . . 30 VAL HG1 . 11169 1 271 . 1 1 30 30 VAL HG13 H 1 1.067 0.030 . 1 . . . . 30 VAL HG1 . 11169 1 272 . 1 1 30 30 VAL HG21 H 1 0.926 0.030 . 1 . . . . 30 VAL HG2 . 11169 1 273 . 1 1 30 30 VAL HG22 H 1 0.926 0.030 . 1 . . . . 30 VAL HG2 . 11169 1 274 . 1 1 30 30 VAL HG23 H 1 0.926 0.030 . 1 . . . . 30 VAL HG2 . 11169 1 275 . 1 1 30 30 VAL C C 13 178.634 0.300 . 1 . . . . 30 VAL C . 11169 1 276 . 1 1 30 30 VAL CA C 13 66.466 0.300 . 1 . . . . 30 VAL CA . 11169 1 277 . 1 1 30 30 VAL CB C 13 32.155 0.300 . 1 . . . . 30 VAL CB . 11169 1 278 . 1 1 30 30 VAL CG1 C 13 22.648 0.300 . 2 . . . . 30 VAL CG1 . 11169 1 279 . 1 1 30 30 VAL CG2 C 13 21.206 0.300 . 2 . . . . 30 VAL CG2 . 11169 1 280 . 1 1 30 30 VAL N N 15 118.159 0.300 . 1 . . . . 30 VAL N . 11169 1 281 . 1 1 31 31 HIS H H 1 7.564 0.030 . 1 . . . . 31 HIS H . 11169 1 282 . 1 1 31 31 HIS HA H 1 4.160 0.030 . 1 . . . . 31 HIS HA . 11169 1 283 . 1 1 31 31 HIS HB2 H 1 2.859 0.030 . 2 . . . . 31 HIS HB2 . 11169 1 284 . 1 1 31 31 HIS HB3 H 1 3.105 0.030 . 2 . . . . 31 HIS HB3 . 11169 1 285 . 1 1 31 31 HIS HD2 H 1 6.978 0.030 . 1 . . . . 31 HIS HD2 . 11169 1 286 . 1 1 31 31 HIS HE1 H 1 8.052 0.030 . 1 . . . . 31 HIS HE1 . 11169 1 287 . 1 1 31 31 HIS C C 13 176.274 0.300 . 1 . . . . 31 HIS C . 11169 1 288 . 1 1 31 31 HIS CA C 13 59.392 0.300 . 1 . . . . 31 HIS CA . 11169 1 289 . 1 1 31 31 HIS CB C 13 28.539 0.300 . 1 . . . . 31 HIS CB . 11169 1 290 . 1 1 31 31 HIS CD2 C 13 127.295 0.300 . 1 . . . . 31 HIS CD2 . 11169 1 291 . 1 1 31 31 HIS CE1 C 13 139.583 0.300 . 1 . . . . 31 HIS CE1 . 11169 1 292 . 1 1 31 31 HIS N N 15 120.171 0.300 . 1 . . . . 31 HIS N . 11169 1 293 . 1 1 32 32 GLN H H 1 8.479 0.030 . 1 . . . . 32 GLN H . 11169 1 294 . 1 1 32 32 GLN HA H 1 3.705 0.030 . 1 . . . . 32 GLN HA . 11169 1 295 . 1 1 32 32 GLN HB2 H 1 2.330 0.030 . 2 . . . . 32 GLN HB2 . 11169 1 296 . 1 1 32 32 GLN HB3 H 1 2.212 0.030 . 2 . . . . 32 GLN HB3 . 11169 1 297 . 1 1 32 32 GLN HE21 H 1 7.701 0.030 . 2 . . . . 32 GLN HE21 . 11169 1 298 . 1 1 32 32 GLN HE22 H 1 6.996 0.030 . 2 . . . . 32 GLN HE22 . 11169 1 299 . 1 1 32 32 GLN HG2 H 1 2.857 0.030 . 1 . . . . 32 GLN HG2 . 11169 1 300 . 1 1 32 32 GLN HG3 H 1 2.857 0.030 . 1 . . . . 32 GLN HG3 . 11169 1 301 . 1 1 32 32 GLN C C 13 177.314 0.300 . 1 . . . . 32 GLN C . 11169 1 302 . 1 1 32 32 GLN CA C 13 59.385 0.300 . 1 . . . . 32 GLN CA . 11169 1 303 . 1 1 32 32 GLN CB C 13 28.449 0.300 . 1 . . . . 32 GLN CB . 11169 1 304 . 1 1 32 32 GLN CG C 13 35.604 0.300 . 1 . . . . 32 GLN CG . 11169 1 305 . 1 1 32 32 GLN N N 15 114.753 0.300 . 1 . . . . 32 GLN N . 11169 1 306 . 1 1 32 32 GLN NE2 N 15 112.577 0.300 . 1 . . . . 32 GLN NE2 . 11169 1 307 . 1 1 33 33 ARG H H 1 7.153 0.030 . 1 . . . . 33 ARG H . 11169 1 308 . 1 1 33 33 ARG HA H 1 4.127 0.030 . 1 . . . . 33 ARG HA . 11169 1 309 . 1 1 33 33 ARG HB2 H 1 1.881 0.030 . 2 . . . . 33 ARG HB2 . 11169 1 310 . 1 1 33 33 ARG HB3 H 1 1.765 0.030 . 2 . . . . 33 ARG HB3 . 11169 1 311 . 1 1 33 33 ARG HD2 H 1 3.178 0.030 . 1 . . . . 33 ARG HD2 . 11169 1 312 . 1 1 33 33 ARG HD3 H 1 3.178 0.030 . 1 . . . . 33 ARG HD3 . 11169 1 313 . 1 1 33 33 ARG HG2 H 1 1.846 0.030 . 2 . . . . 33 ARG HG2 . 11169 1 314 . 1 1 33 33 ARG HG3 H 1 1.653 0.030 . 2 . . . . 33 ARG HG3 . 11169 1 315 . 1 1 33 33 ARG C C 13 178.689 0.300 . 1 . . . . 33 ARG C . 11169 1 316 . 1 1 33 33 ARG CA C 13 58.429 0.300 . 1 . . . . 33 ARG CA . 11169 1 317 . 1 1 33 33 ARG CB C 13 30.078 0.300 . 1 . . . . 33 ARG CB . 11169 1 318 . 1 1 33 33 ARG CD C 13 43.668 0.300 . 1 . . . . 33 ARG CD . 11169 1 319 . 1 1 33 33 ARG CG C 13 27.481 0.300 . 1 . . . . 33 ARG CG . 11169 1 320 . 1 1 33 33 ARG N N 15 117.851 0.300 . 1 . . . . 33 ARG N . 11169 1 321 . 1 1 34 34 ILE H H 1 7.835 0.030 . 1 . . . . 34 ILE H . 11169 1 322 . 1 1 34 34 ILE HA H 1 3.964 0.030 . 1 . . . . 34 ILE HA . 11169 1 323 . 1 1 34 34 ILE HB H 1 1.647 0.030 . 1 . . . . 34 ILE HB . 11169 1 324 . 1 1 34 34 ILE HD11 H 1 0.694 0.030 . 1 . . . . 34 ILE HD1 . 11169 1 325 . 1 1 34 34 ILE HD12 H 1 0.694 0.030 . 1 . . . . 34 ILE HD1 . 11169 1 326 . 1 1 34 34 ILE HD13 H 1 0.694 0.030 . 1 . . . . 34 ILE HD1 . 11169 1 327 . 1 1 34 34 ILE HG12 H 1 0.696 0.030 . 2 . . . . 34 ILE HG12 . 11169 1 328 . 1 1 34 34 ILE HG13 H 1 0.896 0.030 . 2 . . . . 34 ILE HG13 . 11169 1 329 . 1 1 34 34 ILE HG21 H 1 0.573 0.030 . 1 . . . . 34 ILE HG2 . 11169 1 330 . 1 1 34 34 ILE HG22 H 1 0.573 0.030 . 1 . . . . 34 ILE HG2 . 11169 1 331 . 1 1 34 34 ILE HG23 H 1 0.573 0.030 . 1 . . . . 34 ILE HG2 . 11169 1 332 . 1 1 34 34 ILE C C 13 177.341 0.300 . 1 . . . . 34 ILE C . 11169 1 333 . 1 1 34 34 ILE CA C 13 63.208 0.300 . 1 . . . . 34 ILE CA . 11169 1 334 . 1 1 34 34 ILE CB C 13 37.738 0.300 . 1 . . . . 34 ILE CB . 11169 1 335 . 1 1 34 34 ILE CD1 C 13 14.469 0.300 . 1 . . . . 34 ILE CD1 . 11169 1 336 . 1 1 34 34 ILE CG1 C 13 26.515 0.300 . 1 . . . . 34 ILE CG1 . 11169 1 337 . 1 1 34 34 ILE CG2 C 13 16.349 0.300 . 1 . . . . 34 ILE CG2 . 11169 1 338 . 1 1 34 34 ILE N N 15 116.018 0.300 . 1 . . . . 34 ILE N . 11169 1 339 . 1 1 35 35 HIS H H 1 7.236 0.030 . 1 . . . . 35 HIS H . 11169 1 340 . 1 1 35 35 HIS HA H 1 4.816 0.030 . 1 . . . . 35 HIS HA . 11169 1 341 . 1 1 35 35 HIS HB2 H 1 3.279 0.030 . 2 . . . . 35 HIS HB2 . 11169 1 342 . 1 1 35 35 HIS HB3 H 1 3.227 0.030 . 2 . . . . 35 HIS HB3 . 11169 1 343 . 1 1 35 35 HIS HD2 H 1 6.857 0.030 . 1 . . . . 35 HIS HD2 . 11169 1 344 . 1 1 35 35 HIS HE1 H 1 8.023 0.030 . 1 . . . . 35 HIS HE1 . 11169 1 345 . 1 1 35 35 HIS C C 13 175.865 0.300 . 1 . . . . 35 HIS C . 11169 1 346 . 1 1 35 35 HIS CA C 13 55.182 0.300 . 1 . . . . 35 HIS CA . 11169 1 347 . 1 1 35 35 HIS CB C 13 28.670 0.300 . 1 . . . . 35 HIS CB . 11169 1 348 . 1 1 35 35 HIS CD2 C 13 128.260 0.300 . 1 . . . . 35 HIS CD2 . 11169 1 349 . 1 1 35 35 HIS CE1 C 13 140.010 0.300 . 1 . . . . 35 HIS CE1 . 11169 1 350 . 1 1 35 35 HIS N N 15 117.679 0.300 . 1 . . . . 35 HIS N . 11169 1 351 . 1 1 36 36 THR H H 1 7.732 0.030 . 1 . . . . 36 THR H . 11169 1 352 . 1 1 36 36 THR HA H 1 4.353 0.030 . 1 . . . . 36 THR HA . 11169 1 353 . 1 1 36 36 THR HB H 1 4.313 0.030 . 1 . . . . 36 THR HB . 11169 1 354 . 1 1 36 36 THR HG21 H 1 1.231 0.030 . 1 . . . . 36 THR HG2 . 11169 1 355 . 1 1 36 36 THR HG22 H 1 1.231 0.030 . 1 . . . . 36 THR HG2 . 11169 1 356 . 1 1 36 36 THR HG23 H 1 1.231 0.030 . 1 . . . . 36 THR HG2 . 11169 1 357 . 1 1 36 36 THR C C 13 175.479 0.300 . 1 . . . . 36 THR C . 11169 1 358 . 1 1 36 36 THR CA C 13 62.449 0.300 . 1 . . . . 36 THR CA . 11169 1 359 . 1 1 36 36 THR CB C 13 69.927 0.300 . 1 . . . . 36 THR CB . 11169 1 360 . 1 1 36 36 THR CG2 C 13 21.568 0.300 . 1 . . . . 36 THR CG2 . 11169 1 361 . 1 1 36 36 THR N N 15 111.257 0.300 . 1 . . . . 36 THR N . 11169 1 362 . 1 1 37 37 GLY H H 1 8.191 0.030 . 1 . . . . 37 GLY H . 11169 1 363 . 1 1 37 37 GLY HA2 H 1 4.031 0.030 . 2 . . . . 37 GLY HA2 . 11169 1 364 . 1 1 37 37 GLY HA3 H 1 3.938 0.030 . 2 . . . . 37 GLY HA3 . 11169 1 365 . 1 1 37 37 GLY C C 13 174.034 0.300 . 1 . . . . 37 GLY C . 11169 1 366 . 1 1 37 37 GLY CA C 13 45.360 0.300 . 1 . . . . 37 GLY CA . 11169 1 367 . 1 1 37 37 GLY N N 15 110.564 0.300 . 1 . . . . 37 GLY N . 11169 1 368 . 1 1 38 38 GLU H H 1 8.083 0.030 . 1 . . . . 38 GLU H . 11169 1 369 . 1 1 38 38 GLU HA H 1 4.223 0.030 . 1 . . . . 38 GLU HA . 11169 1 370 . 1 1 38 38 GLU HB2 H 1 1.990 0.030 . 2 . . . . 38 GLU HB2 . 11169 1 371 . 1 1 38 38 GLU HB3 H 1 1.880 0.030 . 2 . . . . 38 GLU HB3 . 11169 1 372 . 1 1 38 38 GLU HG2 H 1 2.242 0.030 . 2 . . . . 38 GLU HG2 . 11169 1 373 . 1 1 38 38 GLU HG3 H 1 2.202 0.030 . 2 . . . . 38 GLU HG3 . 11169 1 374 . 1 1 38 38 GLU C C 13 175.926 0.300 . 1 . . . . 38 GLU C . 11169 1 375 . 1 1 38 38 GLU CA C 13 56.553 0.300 . 1 . . . . 38 GLU CA . 11169 1 376 . 1 1 38 38 GLU CB C 13 30.563 0.300 . 1 . . . . 38 GLU CB . 11169 1 377 . 1 1 38 38 GLU CG C 13 36.283 0.300 . 1 . . . . 38 GLU CG . 11169 1 378 . 1 1 38 38 GLU N N 15 120.139 0.300 . 1 . . . . 38 GLU N . 11169 1 379 . 1 1 39 39 ASN H H 1 8.519 0.030 . 1 . . . . 39 ASN H . 11169 1 380 . 1 1 39 39 ASN HA H 1 4.957 0.030 . 1 . . . . 39 ASN HA . 11169 1 381 . 1 1 39 39 ASN HB2 H 1 2.815 0.030 . 2 . . . . 39 ASN HB2 . 11169 1 382 . 1 1 39 39 ASN HB3 H 1 2.662 0.030 . 2 . . . . 39 ASN HB3 . 11169 1 383 . 1 1 39 39 ASN HD21 H 1 7.602 0.030 . 2 . . . . 39 ASN HD21 . 11169 1 384 . 1 1 39 39 ASN HD22 H 1 6.924 0.030 . 2 . . . . 39 ASN HD22 . 11169 1 385 . 1 1 39 39 ASN C C 13 173.375 0.300 . 1 . . . . 39 ASN C . 11169 1 386 . 1 1 39 39 ASN CA C 13 51.371 0.300 . 1 . . . . 39 ASN CA . 11169 1 387 . 1 1 39 39 ASN CB C 13 38.960 0.300 . 1 . . . . 39 ASN CB . 11169 1 388 . 1 1 39 39 ASN N N 15 120.472 0.300 . 1 . . . . 39 ASN N . 11169 1 389 . 1 1 39 39 ASN ND2 N 15 113.272 0.300 . 1 . . . . 39 ASN ND2 . 11169 1 390 . 1 1 40 40 PRO HA H 1 4.438 0.030 . 1 . . . . 40 PRO HA . 11169 1 391 . 1 1 40 40 PRO HB2 H 1 2.272 0.030 . 1 . . . . 40 PRO HB2 . 11169 1 392 . 1 1 40 40 PRO HB3 H 1 2.272 0.030 . 1 . . . . 40 PRO HB3 . 11169 1 393 . 1 1 40 40 PRO HD2 H 1 3.756 0.030 . 2 . . . . 40 PRO HD2 . 11169 1 394 . 1 1 40 40 PRO HD3 H 1 3.734 0.030 . 2 . . . . 40 PRO HD3 . 11169 1 395 . 1 1 40 40 PRO HG2 H 1 2.000 0.030 . 1 . . . . 40 PRO HG2 . 11169 1 396 . 1 1 40 40 PRO HG3 H 1 2.000 0.030 . 1 . . . . 40 PRO HG3 . 11169 1 397 . 1 1 40 40 PRO CA C 13 63.595 0.300 . 1 . . . . 40 PRO CA . 11169 1 398 . 1 1 40 40 PRO CB C 13 32.147 0.300 . 1 . . . . 40 PRO CB . 11169 1 399 . 1 1 40 40 PRO CD C 13 50.738 0.300 . 1 . . . . 40 PRO CD . 11169 1 400 . 1 1 40 40 PRO CG C 13 27.181 0.300 . 1 . . . . 40 PRO CG . 11169 1 401 . 1 1 42 42 GLY HA2 H 1 4.141 0.030 . 2 . . . . 42 GLY HA2 . 11169 1 402 . 1 1 42 42 GLY HA3 H 1 4.092 0.030 . 2 . . . . 42 GLY HA3 . 11169 1 403 . 1 1 42 42 GLY CA C 13 44.637 0.300 . 1 . . . . 42 GLY CA . 11169 1 404 . 1 1 43 43 PRO HA H 1 4.437 0.030 . 1 . . . . 43 PRO HA . 11169 1 405 . 1 1 43 43 PRO HB2 H 1 2.276 0.030 . 1 . . . . 43 PRO HB2 . 11169 1 406 . 1 1 43 43 PRO HB3 H 1 2.276 0.030 . 1 . . . . 43 PRO HB3 . 11169 1 407 . 1 1 43 43 PRO HD2 H 1 3.622 0.030 . 1 . . . . 43 PRO HD2 . 11169 1 408 . 1 1 43 43 PRO HD3 H 1 3.622 0.030 . 1 . . . . 43 PRO HD3 . 11169 1 409 . 1 1 43 43 PRO HG2 H 1 2.005 0.030 . 1 . . . . 43 PRO HG2 . 11169 1 410 . 1 1 43 43 PRO HG3 H 1 2.005 0.030 . 1 . . . . 43 PRO HG3 . 11169 1 411 . 1 1 43 43 PRO CA C 13 63.577 0.300 . 1 . . . . 43 PRO CA . 11169 1 412 . 1 1 43 43 PRO CB C 13 32.275 0.300 . 1 . . . . 43 PRO CB . 11169 1 413 . 1 1 43 43 PRO CD C 13 49.792 0.300 . 1 . . . . 43 PRO CD . 11169 1 414 . 1 1 43 43 PRO CG C 13 27.097 0.300 . 1 . . . . 43 PRO CG . 11169 1 stop_ save_