################################### # 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 10219 _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 10219 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10219 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 6 6 SER HA H 1 4.423 0.030 . 1 . . . . 6 SER HA . 10219 1 2 . 1 1 6 6 SER HB2 H 1 3.855 0.030 . 1 . . . . 6 SER HB2 . 10219 1 3 . 1 1 6 6 SER HB3 H 1 3.855 0.030 . 1 . . . . 6 SER HB3 . 10219 1 4 . 1 1 6 6 SER C C 13 174.984 0.300 . 1 . . . . 6 SER C . 10219 1 5 . 1 1 6 6 SER CA C 13 58.619 0.300 . 1 . . . . 6 SER CA . 10219 1 6 . 1 1 6 6 SER CB C 13 63.809 0.300 . 1 . . . . 6 SER CB . 10219 1 7 . 1 1 7 7 GLY H H 1 8.330 0.030 . 1 . . . . 7 GLY H . 10219 1 8 . 1 1 7 7 GLY HA2 H 1 3.853 0.030 . 1 . . . . 7 GLY HA2 . 10219 1 9 . 1 1 7 7 GLY HA3 H 1 3.853 0.030 . 1 . . . . 7 GLY HA3 . 10219 1 10 . 1 1 7 7 GLY C C 13 173.978 0.300 . 1 . . . . 7 GLY C . 10219 1 11 . 1 1 7 7 GLY CA C 13 45.124 0.300 . 1 . . . . 7 GLY CA . 10219 1 12 . 1 1 7 7 GLY N N 15 110.444 0.300 . 1 . . . . 7 GLY N . 10219 1 13 . 1 1 8 8 GLU H H 1 8.136 0.030 . 1 . . . . 8 GLU H . 10219 1 14 . 1 1 8 8 GLU HA H 1 4.084 0.030 . 1 . . . . 8 GLU HA . 10219 1 15 . 1 1 8 8 GLU HB2 H 1 1.890 0.030 . 2 . . . . 8 GLU HB2 . 10219 1 16 . 1 1 8 8 GLU HB3 H 1 1.813 0.030 . 2 . . . . 8 GLU HB3 . 10219 1 17 . 1 1 8 8 GLU HG2 H 1 2.166 0.030 . 2 . . . . 8 GLU HG2 . 10219 1 18 . 1 1 8 8 GLU HG3 H 1 2.122 0.030 . 2 . . . . 8 GLU HG3 . 10219 1 19 . 1 1 8 8 GLU C C 13 176.363 0.300 . 1 . . . . 8 GLU C . 10219 1 20 . 1 1 8 8 GLU CA C 13 56.807 0.300 . 1 . . . . 8 GLU CA . 10219 1 21 . 1 1 8 8 GLU CB C 13 30.323 0.300 . 1 . . . . 8 GLU CB . 10219 1 22 . 1 1 8 8 GLU CG C 13 36.239 0.300 . 1 . . . . 8 GLU CG . 10219 1 23 . 1 1 8 8 GLU N N 15 120.206 0.300 . 1 . . . . 8 GLU N . 10219 1 24 . 1 1 9 9 LYS H H 1 8.190 0.030 . 1 . . . . 9 LYS H . 10219 1 25 . 1 1 9 9 LYS HA H 1 4.401 0.030 . 1 . . . . 9 LYS HA . 10219 1 26 . 1 1 9 9 LYS HB2 H 1 1.435 0.030 . 2 . . . . 9 LYS HB2 . 10219 1 27 . 1 1 9 9 LYS HB3 H 1 1.264 0.030 . 2 . . . . 9 LYS HB3 . 10219 1 28 . 1 1 9 9 LYS HD2 H 1 1.373 0.030 . 1 . . . . 9 LYS HD2 . 10219 1 29 . 1 1 9 9 LYS HD3 H 1 1.373 0.030 . 1 . . . . 9 LYS HD3 . 10219 1 30 . 1 1 9 9 LYS HE2 H 1 2.805 0.030 . 1 . . . . 9 LYS HE2 . 10219 1 31 . 1 1 9 9 LYS HE3 H 1 2.805 0.030 . 1 . . . . 9 LYS HE3 . 10219 1 32 . 1 1 9 9 LYS HG2 H 1 1.170 0.030 . 2 . . . . 9 LYS HG2 . 10219 1 33 . 1 1 9 9 LYS HG3 H 1 1.105 0.030 . 2 . . . . 9 LYS HG3 . 10219 1 34 . 1 1 9 9 LYS C C 13 173.724 0.300 . 1 . . . . 9 LYS C . 10219 1 35 . 1 1 9 9 LYS CA C 13 53.773 0.300 . 1 . . . . 9 LYS CA . 10219 1 36 . 1 1 9 9 LYS CB C 13 33.324 0.300 . 1 . . . . 9 LYS CB . 10219 1 37 . 1 1 9 9 LYS CD C 13 29.403 0.300 . 1 . . . . 9 LYS CD . 10219 1 38 . 1 1 9 9 LYS CE C 13 42.287 0.300 . 1 . . . . 9 LYS CE . 10219 1 39 . 1 1 9 9 LYS CG C 13 24.643 0.300 . 1 . . . . 9 LYS CG . 10219 1 40 . 1 1 9 9 LYS N N 15 121.893 0.300 . 1 . . . . 9 LYS N . 10219 1 41 . 1 1 10 10 PRO HA H 1 4.176 0.030 . 1 . . . . 10 PRO HA . 10219 1 42 . 1 1 10 10 PRO HB2 H 1 1.116 0.030 . 2 . . . . 10 PRO HB2 . 10219 1 43 . 1 1 10 10 PRO HB3 H 1 1.928 0.030 . 2 . . . . 10 PRO HB3 . 10219 1 44 . 1 1 10 10 PRO HD2 H 1 3.639 0.030 . 2 . . . . 10 PRO HD2 . 10219 1 45 . 1 1 10 10 PRO HD3 H 1 3.493 0.030 . 2 . . . . 10 PRO HD3 . 10219 1 46 . 1 1 10 10 PRO HG2 H 1 1.496 0.030 . 2 . . . . 10 PRO HG2 . 10219 1 47 . 1 1 10 10 PRO HG3 H 1 1.694 0.030 . 2 . . . . 10 PRO HG3 . 10219 1 48 . 1 1 10 10 PRO C C 13 176.542 0.300 . 1 . . . . 10 PRO C . 10219 1 49 . 1 1 10 10 PRO CA C 13 63.392 0.300 . 1 . . . . 10 PRO CA . 10219 1 50 . 1 1 10 10 PRO CB C 13 32.297 0.300 . 1 . . . . 10 PRO CB . 10219 1 51 . 1 1 10 10 PRO CD C 13 50.048 0.300 . 1 . . . . 10 PRO CD . 10219 1 52 . 1 1 10 10 PRO CG C 13 26.501 0.300 . 1 . . . . 10 PRO CG . 10219 1 53 . 1 1 11 11 TYR H H 1 7.766 0.030 . 1 . . . . 11 TYR H . 10219 1 54 . 1 1 11 11 TYR HA H 1 4.523 0.030 . 1 . . . . 11 TYR HA . 10219 1 55 . 1 1 11 11 TYR HB2 H 1 2.908 0.030 . 2 . . . . 11 TYR HB2 . 10219 1 56 . 1 1 11 11 TYR HB3 H 1 2.784 0.030 . 2 . . . . 11 TYR HB3 . 10219 1 57 . 1 1 11 11 TYR HD1 H 1 6.997 0.030 . 1 . . . . 11 TYR HD1 . 10219 1 58 . 1 1 11 11 TYR HD2 H 1 6.997 0.030 . 1 . . . . 11 TYR HD2 . 10219 1 59 . 1 1 11 11 TYR HE1 H 1 6.905 0.030 . 1 . . . . 11 TYR HE1 . 10219 1 60 . 1 1 11 11 TYR HE2 H 1 6.905 0.030 . 1 . . . . 11 TYR HE2 . 10219 1 61 . 1 1 11 11 TYR C C 13 174.276 0.300 . 1 . . . . 11 TYR C . 10219 1 62 . 1 1 11 11 TYR CA C 13 58.052 0.300 . 1 . . . . 11 TYR CA . 10219 1 63 . 1 1 11 11 TYR CB C 13 38.185 0.300 . 1 . . . . 11 TYR CB . 10219 1 64 . 1 1 11 11 TYR CD1 C 13 133.361 0.300 . 1 . . . . 11 TYR CD1 . 10219 1 65 . 1 1 11 11 TYR CD2 C 13 133.361 0.300 . 1 . . . . 11 TYR CD2 . 10219 1 66 . 1 1 11 11 TYR CE1 C 13 118.479 0.300 . 1 . . . . 11 TYR CE1 . 10219 1 67 . 1 1 11 11 TYR CE2 C 13 118.479 0.300 . 1 . . . . 11 TYR CE2 . 10219 1 68 . 1 1 11 11 TYR N N 15 118.946 0.300 . 1 . . . . 11 TYR N . 10219 1 69 . 1 1 12 12 VAL H H 1 8.434 0.030 . 1 . . . . 12 VAL H . 10219 1 70 . 1 1 12 12 VAL HA H 1 4.510 0.030 . 1 . . . . 12 VAL HA . 10219 1 71 . 1 1 12 12 VAL HB H 1 1.774 0.030 . 1 . . . . 12 VAL HB . 10219 1 72 . 1 1 12 12 VAL HG11 H 1 0.739 0.030 . 1 . . . . 12 VAL HG1 . 10219 1 73 . 1 1 12 12 VAL HG12 H 1 0.739 0.030 . 1 . . . . 12 VAL HG1 . 10219 1 74 . 1 1 12 12 VAL HG13 H 1 0.739 0.030 . 1 . . . . 12 VAL HG1 . 10219 1 75 . 1 1 12 12 VAL HG21 H 1 0.661 0.030 . 1 . . . . 12 VAL HG2 . 10219 1 76 . 1 1 12 12 VAL HG22 H 1 0.661 0.030 . 1 . . . . 12 VAL HG2 . 10219 1 77 . 1 1 12 12 VAL HG23 H 1 0.661 0.030 . 1 . . . . 12 VAL HG2 . 10219 1 78 . 1 1 12 12 VAL C C 13 175.589 0.300 . 1 . . . . 12 VAL C . 10219 1 79 . 1 1 12 12 VAL CA C 13 61.266 0.300 . 1 . . . . 12 VAL CA . 10219 1 80 . 1 1 12 12 VAL CB C 13 34.474 0.300 . 1 . . . . 12 VAL CB . 10219 1 81 . 1 1 12 12 VAL CG1 C 13 21.284 0.300 . 2 . . . . 12 VAL CG1 . 10219 1 82 . 1 1 12 12 VAL CG2 C 13 20.868 0.300 . 2 . . . . 12 VAL CG2 . 10219 1 83 . 1 1 12 12 VAL N N 15 125.129 0.300 . 1 . . . . 12 VAL N . 10219 1 84 . 1 1 13 13 CYS H H 1 9.288 0.030 . 1 . . . . 13 CYS H . 10219 1 85 . 1 1 13 13 CYS HA H 1 4.486 0.030 . 1 . . . . 13 CYS HA . 10219 1 86 . 1 1 13 13 CYS HB2 H 1 2.860 0.030 . 2 . . . . 13 CYS HB2 . 10219 1 87 . 1 1 13 13 CYS HB3 H 1 3.357 0.030 . 2 . . . . 13 CYS HB3 . 10219 1 88 . 1 1 13 13 CYS C C 13 177.453 0.300 . 1 . . . . 13 CYS C . 10219 1 89 . 1 1 13 13 CYS CA C 13 59.913 0.300 . 1 . . . . 13 CYS CA . 10219 1 90 . 1 1 13 13 CYS CB C 13 29.670 0.300 . 1 . . . . 13 CYS CB . 10219 1 91 . 1 1 13 13 CYS N N 15 129.949 0.300 . 1 . . . . 13 CYS N . 10219 1 92 . 1 1 14 14 SER H H 1 9.359 0.030 . 1 . . . . 14 SER H . 10219 1 93 . 1 1 14 14 SER HA H 1 4.194 0.030 . 1 . . . . 14 SER HA . 10219 1 94 . 1 1 14 14 SER HB2 H 1 3.974 0.030 . 2 . . . . 14 SER HB2 . 10219 1 95 . 1 1 14 14 SER HB3 H 1 3.914 0.030 . 2 . . . . 14 SER HB3 . 10219 1 96 . 1 1 14 14 SER C C 13 174.334 0.300 . 1 . . . . 14 SER C . 10219 1 97 . 1 1 14 14 SER CA C 13 61.015 0.300 . 1 . . . . 14 SER CA . 10219 1 98 . 1 1 14 14 SER CB C 13 63.031 0.300 . 1 . . . . 14 SER CB . 10219 1 99 . 1 1 14 14 SER N N 15 128.692 0.300 . 1 . . . . 14 SER N . 10219 1 100 . 1 1 15 15 ASP H H 1 8.616 0.030 . 1 . . . . 15 ASP H . 10219 1 101 . 1 1 15 15 ASP HA H 1 4.495 0.030 . 1 . . . . 15 ASP HA . 10219 1 102 . 1 1 15 15 ASP HB2 H 1 1.769 0.030 . 2 . . . . 15 ASP HB2 . 10219 1 103 . 1 1 15 15 ASP HB3 H 1 1.679 0.030 . 2 . . . . 15 ASP HB3 . 10219 1 104 . 1 1 15 15 ASP C C 13 176.945 0.300 . 1 . . . . 15 ASP C . 10219 1 105 . 1 1 15 15 ASP CA C 13 56.927 0.300 . 1 . . . . 15 ASP CA . 10219 1 106 . 1 1 15 15 ASP CB C 13 41.300 0.300 . 1 . . . . 15 ASP CB . 10219 1 107 . 1 1 15 15 ASP N N 15 122.842 0.300 . 1 . . . . 15 ASP N . 10219 1 108 . 1 1 16 16 CYS H H 1 7.880 0.030 . 1 . . . . 16 CYS H . 10219 1 109 . 1 1 16 16 CYS HA H 1 5.095 0.030 . 1 . . . . 16 CYS HA . 10219 1 110 . 1 1 16 16 CYS HB2 H 1 2.806 0.030 . 2 . . . . 16 CYS HB2 . 10219 1 111 . 1 1 16 16 CYS HB3 H 1 3.363 0.030 . 2 . . . . 16 CYS HB3 . 10219 1 112 . 1 1 16 16 CYS C C 13 176.300 0.300 . 1 . . . . 16 CYS C . 10219 1 113 . 1 1 16 16 CYS CA C 13 58.641 0.300 . 1 . . . . 16 CYS CA . 10219 1 114 . 1 1 16 16 CYS CB C 13 32.470 0.300 . 1 . . . . 16 CYS CB . 10219 1 115 . 1 1 16 16 CYS N N 15 114.753 0.300 . 1 . . . . 16 CYS N . 10219 1 116 . 1 1 17 17 GLY H H 1 8.180 0.030 . 1 . . . . 17 GLY H . 10219 1 117 . 1 1 17 17 GLY HA2 H 1 3.657 0.030 . 2 . . . . 17 GLY HA2 . 10219 1 118 . 1 1 17 17 GLY HA3 H 1 4.150 0.030 . 2 . . . . 17 GLY HA3 . 10219 1 119 . 1 1 17 17 GLY C C 13 173.556 0.300 . 1 . . . . 17 GLY C . 10219 1 120 . 1 1 17 17 GLY CA C 13 46.062 0.300 . 1 . . . . 17 GLY CA . 10219 1 121 . 1 1 17 17 GLY N N 15 113.552 0.300 . 1 . . . . 17 GLY N . 10219 1 122 . 1 1 18 18 LYS H H 1 7.992 0.030 . 1 . . . . 18 LYS H . 10219 1 123 . 1 1 18 18 LYS HA H 1 3.843 0.030 . 1 . . . . 18 LYS HA . 10219 1 124 . 1 1 18 18 LYS HB2 H 1 1.110 0.030 . 2 . . . . 18 LYS HB2 . 10219 1 125 . 1 1 18 18 LYS HB3 H 1 1.373 0.030 . 2 . . . . 18 LYS HB3 . 10219 1 126 . 1 1 18 18 LYS HD2 H 1 1.461 0.030 . 2 . . . . 18 LYS HD2 . 10219 1 127 . 1 1 18 18 LYS HD3 H 1 1.380 0.030 . 2 . . . . 18 LYS HD3 . 10219 1 128 . 1 1 18 18 LYS HE2 H 1 2.905 0.030 . 2 . . . . 18 LYS HE2 . 10219 1 129 . 1 1 18 18 LYS HE3 H 1 2.834 0.030 . 2 . . . . 18 LYS HE3 . 10219 1 130 . 1 1 18 18 LYS HG2 H 1 1.284 0.030 . 2 . . . . 18 LYS HG2 . 10219 1 131 . 1 1 18 18 LYS HG3 H 1 0.964 0.030 . 2 . . . . 18 LYS HG3 . 10219 1 132 . 1 1 18 18 LYS C C 13 173.383 0.300 . 1 . . . . 18 LYS C . 10219 1 133 . 1 1 18 18 LYS CA C 13 58.362 0.300 . 1 . . . . 18 LYS CA . 10219 1 134 . 1 1 18 18 LYS CB C 13 33.336 0.300 . 1 . . . . 18 LYS CB . 10219 1 135 . 1 1 18 18 LYS CD C 13 29.235 0.300 . 1 . . . . 18 LYS CD . 10219 1 136 . 1 1 18 18 LYS CE C 13 42.111 0.300 . 1 . . . . 18 LYS CE . 10219 1 137 . 1 1 18 18 LYS CG C 13 26.208 0.300 . 1 . . . . 18 LYS CG . 10219 1 138 . 1 1 18 18 LYS N N 15 123.588 0.300 . 1 . . . . 18 LYS N . 10219 1 139 . 1 1 19 19 ALA H H 1 7.646 0.030 . 1 . . . . 19 ALA H . 10219 1 140 . 1 1 19 19 ALA HA H 1 5.124 0.030 . 1 . . . . 19 ALA HA . 10219 1 141 . 1 1 19 19 ALA HB1 H 1 1.145 0.030 . 1 . . . . 19 ALA HB . 10219 1 142 . 1 1 19 19 ALA HB2 H 1 1.145 0.030 . 1 . . . . 19 ALA HB . 10219 1 143 . 1 1 19 19 ALA HB3 H 1 1.145 0.030 . 1 . . . . 19 ALA HB . 10219 1 144 . 1 1 19 19 ALA C C 13 176.333 0.300 . 1 . . . . 19 ALA C . 10219 1 145 . 1 1 19 19 ALA CA C 13 50.076 0.300 . 1 . . . . 19 ALA CA . 10219 1 146 . 1 1 19 19 ALA CB C 13 22.792 0.300 . 1 . . . . 19 ALA CB . 10219 1 147 . 1 1 19 19 ALA N N 15 124.673 0.300 . 1 . . . . 19 ALA N . 10219 1 148 . 1 1 20 20 PHE H H 1 8.857 0.030 . 1 . . . . 20 PHE H . 10219 1 149 . 1 1 20 20 PHE HA H 1 4.653 0.030 . 1 . . . . 20 PHE HA . 10219 1 150 . 1 1 20 20 PHE HB2 H 1 2.621 0.030 . 2 . . . . 20 PHE HB2 . 10219 1 151 . 1 1 20 20 PHE HB3 H 1 3.531 0.030 . 2 . . . . 20 PHE HB3 . 10219 1 152 . 1 1 20 20 PHE HD1 H 1 7.147 0.030 . 1 . . . . 20 PHE HD1 . 10219 1 153 . 1 1 20 20 PHE HD2 H 1 7.147 0.030 . 1 . . . . 20 PHE HD2 . 10219 1 154 . 1 1 20 20 PHE HE1 H 1 6.782 0.030 . 1 . . . . 20 PHE HE1 . 10219 1 155 . 1 1 20 20 PHE HE2 H 1 6.782 0.030 . 1 . . . . 20 PHE HE2 . 10219 1 156 . 1 1 20 20 PHE HZ H 1 6.217 0.030 . 1 . . . . 20 PHE HZ . 10219 1 157 . 1 1 20 20 PHE C C 13 175.110 0.300 . 1 . . . . 20 PHE C . 10219 1 158 . 1 1 20 20 PHE CA C 13 57.317 0.300 . 1 . . . . 20 PHE CA . 10219 1 159 . 1 1 20 20 PHE CB C 13 43.327 0.300 . 1 . . . . 20 PHE CB . 10219 1 160 . 1 1 20 20 PHE CD1 C 13 132.563 0.300 . 1 . . . . 20 PHE CD1 . 10219 1 161 . 1 1 20 20 PHE CD2 C 13 132.563 0.300 . 1 . . . . 20 PHE CD2 . 10219 1 162 . 1 1 20 20 PHE CE1 C 13 130.379 0.300 . 1 . . . . 20 PHE CE1 . 10219 1 163 . 1 1 20 20 PHE CE2 C 13 130.379 0.300 . 1 . . . . 20 PHE CE2 . 10219 1 164 . 1 1 20 20 PHE CZ C 13 128.461 0.300 . 1 . . . . 20 PHE CZ . 10219 1 165 . 1 1 20 20 PHE N N 15 117.387 0.300 . 1 . . . . 20 PHE N . 10219 1 166 . 1 1 21 21 THR H H 1 8.729 0.030 . 1 . . . . 21 THR H . 10219 1 167 . 1 1 21 21 THR HA H 1 4.005 0.030 . 1 . . . . 21 THR HA . 10219 1 168 . 1 1 21 21 THR HB H 1 3.704 0.030 . 1 . . . . 21 THR HB . 10219 1 169 . 1 1 21 21 THR HG21 H 1 0.517 0.030 . 1 . . . . 21 THR HG2 . 10219 1 170 . 1 1 21 21 THR HG22 H 1 0.517 0.030 . 1 . . . . 21 THR HG2 . 10219 1 171 . 1 1 21 21 THR HG23 H 1 0.517 0.030 . 1 . . . . 21 THR HG2 . 10219 1 172 . 1 1 21 21 THR C C 13 173.500 0.300 . 1 . . . . 21 THR C . 10219 1 173 . 1 1 21 21 THR CA C 13 66.328 0.300 . 1 . . . . 21 THR CA . 10219 1 174 . 1 1 21 21 THR CB C 13 69.605 0.300 . 1 . . . . 21 THR CB . 10219 1 175 . 1 1 21 21 THR CG2 C 13 21.877 0.300 . 1 . . . . 21 THR CG2 . 10219 1 176 . 1 1 21 21 THR N N 15 118.703 0.300 . 1 . . . . 21 THR N . 10219 1 177 . 1 1 22 22 PHE H H 1 7.767 0.030 . 1 . . . . 22 PHE H . 10219 1 178 . 1 1 22 22 PHE HA H 1 5.093 0.030 . 1 . . . . 22 PHE HA . 10219 1 179 . 1 1 22 22 PHE HB2 H 1 2.471 0.030 . 2 . . . . 22 PHE HB2 . 10219 1 180 . 1 1 22 22 PHE HB3 H 1 3.368 0.030 . 2 . . . . 22 PHE HB3 . 10219 1 181 . 1 1 22 22 PHE HD1 H 1 7.284 0.030 . 1 . . . . 22 PHE HD1 . 10219 1 182 . 1 1 22 22 PHE HD2 H 1 7.284 0.030 . 1 . . . . 22 PHE HD2 . 10219 1 183 . 1 1 22 22 PHE HE1 H 1 7.366 0.030 . 1 . . . . 22 PHE HE1 . 10219 1 184 . 1 1 22 22 PHE HE2 H 1 7.366 0.030 . 1 . . . . 22 PHE HE2 . 10219 1 185 . 1 1 22 22 PHE HZ H 1 7.308 0.030 . 1 . . . . 22 PHE HZ . 10219 1 186 . 1 1 22 22 PHE C C 13 176.290 0.300 . 1 . . . . 22 PHE C . 10219 1 187 . 1 1 22 22 PHE CA C 13 55.753 0.300 . 1 . . . . 22 PHE CA . 10219 1 188 . 1 1 22 22 PHE CB C 13 42.016 0.300 . 1 . . . . 22 PHE CB . 10219 1 189 . 1 1 22 22 PHE CD1 C 13 131.856 0.300 . 1 . . . . 22 PHE CD1 . 10219 1 190 . 1 1 22 22 PHE CD2 C 13 131.856 0.300 . 1 . . . . 22 PHE CD2 . 10219 1 191 . 1 1 22 22 PHE CE1 C 13 131.573 0.300 . 1 . . . . 22 PHE CE1 . 10219 1 192 . 1 1 22 22 PHE CE2 C 13 131.573 0.300 . 1 . . . . 22 PHE CE2 . 10219 1 193 . 1 1 22 22 PHE CZ C 13 130.210 0.300 . 1 . . . . 22 PHE CZ . 10219 1 194 . 1 1 22 22 PHE N N 15 114.810 0.300 . 1 . . . . 22 PHE N . 10219 1 195 . 1 1 23 23 LYS H H 1 8.496 0.030 . 1 . . . . 23 LYS H . 10219 1 196 . 1 1 23 23 LYS HA H 1 2.922 0.030 . 1 . . . . 23 LYS HA . 10219 1 197 . 1 1 23 23 LYS HB2 H 1 0.871 0.030 . 2 . . . . 23 LYS HB2 . 10219 1 198 . 1 1 23 23 LYS HB3 H 1 1.435 0.030 . 2 . . . . 23 LYS HB3 . 10219 1 199 . 1 1 23 23 LYS HD2 H 1 1.555 0.030 . 2 . . . . 23 LYS HD2 . 10219 1 200 . 1 1 23 23 LYS HD3 H 1 1.518 0.030 . 2 . . . . 23 LYS HD3 . 10219 1 201 . 1 1 23 23 LYS HE2 H 1 2.904 0.030 . 2 . . . . 23 LYS HE2 . 10219 1 202 . 1 1 23 23 LYS HE3 H 1 2.832 0.030 . 2 . . . . 23 LYS HE3 . 10219 1 203 . 1 1 23 23 LYS HG2 H 1 0.988 0.030 . 2 . . . . 23 LYS HG2 . 10219 1 204 . 1 1 23 23 LYS HG3 H 1 1.199 0.030 . 2 . . . . 23 LYS HG3 . 10219 1 205 . 1 1 23 23 LYS C C 13 178.191 0.300 . 1 . . . . 23 LYS C . 10219 1 206 . 1 1 23 23 LYS CA C 13 59.444 0.300 . 1 . . . . 23 LYS CA . 10219 1 207 . 1 1 23 23 LYS CB C 13 31.569 0.300 . 1 . . . . 23 LYS CB . 10219 1 208 . 1 1 23 23 LYS CD C 13 29.222 0.300 . 1 . . . . 23 LYS CD . 10219 1 209 . 1 1 23 23 LYS CE C 13 42.174 0.300 . 1 . . . . 23 LYS CE . 10219 1 210 . 1 1 23 23 LYS CG C 13 24.891 0.300 . 1 . . . . 23 LYS CG . 10219 1 211 . 1 1 23 23 LYS N N 15 127.716 0.300 . 1 . . . . 23 LYS N . 10219 1 212 . 1 1 24 24 SER H H 1 8.519 0.030 . 1 . . . . 24 SER H . 10219 1 213 . 1 1 24 24 SER HA H 1 3.838 0.030 . 1 . . . . 24 SER HA . 10219 1 214 . 1 1 24 24 SER HB2 H 1 3.756 0.030 . 1 . . . . 24 SER HB2 . 10219 1 215 . 1 1 24 24 SER HB3 H 1 3.756 0.030 . 1 . . . . 24 SER HB3 . 10219 1 216 . 1 1 24 24 SER C C 13 176.778 0.300 . 1 . . . . 24 SER C . 10219 1 217 . 1 1 24 24 SER CA C 13 60.910 0.300 . 1 . . . . 24 SER CA . 10219 1 218 . 1 1 24 24 SER CB C 13 61.337 0.300 . 1 . . . . 24 SER CB . 10219 1 219 . 1 1 24 24 SER N N 15 111.904 0.300 . 1 . . . . 24 SER N . 10219 1 220 . 1 1 25 25 GLN H H 1 6.829 0.030 . 1 . . . . 25 GLN H . 10219 1 221 . 1 1 25 25 GLN HA H 1 3.894 0.030 . 1 . . . . 25 GLN HA . 10219 1 222 . 1 1 25 25 GLN HB2 H 1 1.959 0.030 . 2 . . . . 25 GLN HB2 . 10219 1 223 . 1 1 25 25 GLN HB3 H 1 2.618 0.030 . 2 . . . . 25 GLN HB3 . 10219 1 224 . 1 1 25 25 GLN HE21 H 1 7.234 0.030 . 2 . . . . 25 GLN HE21 . 10219 1 225 . 1 1 25 25 GLN HE22 H 1 7.708 0.030 . 2 . . . . 25 GLN HE22 . 10219 1 226 . 1 1 25 25 GLN HG2 H 1 2.504 0.030 . 2 . . . . 25 GLN HG2 . 10219 1 227 . 1 1 25 25 GLN HG3 H 1 2.420 0.030 . 2 . . . . 25 GLN HG3 . 10219 1 228 . 1 1 25 25 GLN C C 13 178.758 0.300 . 1 . . . . 25 GLN C . 10219 1 229 . 1 1 25 25 GLN CA C 13 57.499 0.300 . 1 . . . . 25 GLN CA . 10219 1 230 . 1 1 25 25 GLN CB C 13 28.839 0.300 . 1 . . . . 25 GLN CB . 10219 1 231 . 1 1 25 25 GLN CG C 13 34.541 0.300 . 1 . . . . 25 GLN CG . 10219 1 232 . 1 1 25 25 GLN N N 15 119.416 0.300 . 1 . . . . 25 GLN N . 10219 1 233 . 1 1 25 25 GLN NE2 N 15 112.237 0.300 . 1 . . . . 25 GLN NE2 . 10219 1 234 . 1 1 26 26 LEU H H 1 6.900 0.030 . 1 . . . . 26 LEU H . 10219 1 235 . 1 1 26 26 LEU HA H 1 3.218 0.030 . 1 . . . . 26 LEU HA . 10219 1 236 . 1 1 26 26 LEU HB2 H 1 1.227 0.030 . 2 . . . . 26 LEU HB2 . 10219 1 237 . 1 1 26 26 LEU HB3 H 1 2.026 0.030 . 2 . . . . 26 LEU HB3 . 10219 1 238 . 1 1 26 26 LEU HD11 H 1 1.026 0.030 . 1 . . . . 26 LEU HD1 . 10219 1 239 . 1 1 26 26 LEU HD12 H 1 1.026 0.030 . 1 . . . . 26 LEU HD1 . 10219 1 240 . 1 1 26 26 LEU HD13 H 1 1.026 0.030 . 1 . . . . 26 LEU HD1 . 10219 1 241 . 1 1 26 26 LEU HD21 H 1 0.969 0.030 . 1 . . . . 26 LEU HD2 . 10219 1 242 . 1 1 26 26 LEU HD22 H 1 0.969 0.030 . 1 . . . . 26 LEU HD2 . 10219 1 243 . 1 1 26 26 LEU HD23 H 1 0.969 0.030 . 1 . . . . 26 LEU HD2 . 10219 1 244 . 1 1 26 26 LEU HG H 1 1.489 0.030 . 1 . . . . 26 LEU HG . 10219 1 245 . 1 1 26 26 LEU C C 13 177.322 0.300 . 1 . . . . 26 LEU C . 10219 1 246 . 1 1 26 26 LEU CA C 13 57.675 0.300 . 1 . . . . 26 LEU CA . 10219 1 247 . 1 1 26 26 LEU CB C 13 40.250 0.300 . 1 . . . . 26 LEU CB . 10219 1 248 . 1 1 26 26 LEU CD1 C 13 22.657 0.300 . 2 . . . . 26 LEU CD1 . 10219 1 249 . 1 1 26 26 LEU CD2 C 13 26.528 0.300 . 2 . . . . 26 LEU CD2 . 10219 1 250 . 1 1 26 26 LEU CG C 13 27.436 0.300 . 1 . . . . 26 LEU CG . 10219 1 251 . 1 1 26 26 LEU N N 15 122.040 0.300 . 1 . . . . 26 LEU N . 10219 1 252 . 1 1 27 27 ILE H H 1 7.967 0.030 . 1 . . . . 27 ILE H . 10219 1 253 . 1 1 27 27 ILE HA H 1 3.683 0.030 . 1 . . . . 27 ILE HA . 10219 1 254 . 1 1 27 27 ILE HB H 1 1.718 0.030 . 1 . . . . 27 ILE HB . 10219 1 255 . 1 1 27 27 ILE HD11 H 1 0.693 0.030 . 1 . . . . 27 ILE HD1 . 10219 1 256 . 1 1 27 27 ILE HD12 H 1 0.693 0.030 . 1 . . . . 27 ILE HD1 . 10219 1 257 . 1 1 27 27 ILE HD13 H 1 0.693 0.030 . 1 . . . . 27 ILE HD1 . 10219 1 258 . 1 1 27 27 ILE HG12 H 1 1.143 0.030 . 2 . . . . 27 ILE HG12 . 10219 1 259 . 1 1 27 27 ILE HG13 H 1 1.459 0.030 . 2 . . . . 27 ILE HG13 . 10219 1 260 . 1 1 27 27 ILE HG21 H 1 0.793 0.030 . 1 . . . . 27 ILE HG2 . 10219 1 261 . 1 1 27 27 ILE HG22 H 1 0.793 0.030 . 1 . . . . 27 ILE HG2 . 10219 1 262 . 1 1 27 27 ILE HG23 H 1 0.793 0.030 . 1 . . . . 27 ILE HG2 . 10219 1 263 . 1 1 27 27 ILE C C 13 179.261 0.300 . 1 . . . . 27 ILE C . 10219 1 264 . 1 1 27 27 ILE CA C 13 64.506 0.300 . 1 . . . . 27 ILE CA . 10219 1 265 . 1 1 27 27 ILE CB C 13 37.362 0.300 . 1 . . . . 27 ILE CB . 10219 1 266 . 1 1 27 27 ILE CD1 C 13 12.451 0.300 . 1 . . . . 27 ILE CD1 . 10219 1 267 . 1 1 27 27 ILE CG1 C 13 28.672 0.300 . 1 . . . . 27 ILE CG1 . 10219 1 268 . 1 1 27 27 ILE CG2 C 13 17.100 0.300 . 1 . . . . 27 ILE CG2 . 10219 1 269 . 1 1 27 27 ILE N N 15 118.724 0.300 . 1 . . . . 27 ILE N . 10219 1 270 . 1 1 28 28 VAL H H 1 7.247 0.030 . 1 . . . . 28 VAL H . 10219 1 271 . 1 1 28 28 VAL HA H 1 3.569 0.030 . 1 . . . . 28 VAL HA . 10219 1 272 . 1 1 28 28 VAL HB H 1 1.858 0.030 . 1 . . . . 28 VAL HB . 10219 1 273 . 1 1 28 28 VAL HG11 H 1 0.865 0.030 . 1 . . . . 28 VAL HG1 . 10219 1 274 . 1 1 28 28 VAL HG12 H 1 0.865 0.030 . 1 . . . . 28 VAL HG1 . 10219 1 275 . 1 1 28 28 VAL HG13 H 1 0.865 0.030 . 1 . . . . 28 VAL HG1 . 10219 1 276 . 1 1 28 28 VAL HG21 H 1 0.990 0.030 . 1 . . . . 28 VAL HG2 . 10219 1 277 . 1 1 28 28 VAL HG22 H 1 0.990 0.030 . 1 . . . . 28 VAL HG2 . 10219 1 278 . 1 1 28 28 VAL HG23 H 1 0.990 0.030 . 1 . . . . 28 VAL HG2 . 10219 1 279 . 1 1 28 28 VAL C C 13 179.175 0.300 . 1 . . . . 28 VAL C . 10219 1 280 . 1 1 28 28 VAL CA C 13 66.301 0.300 . 1 . . . . 28 VAL CA . 10219 1 281 . 1 1 28 28 VAL CB C 13 32.097 0.300 . 1 . . . . 28 VAL CB . 10219 1 282 . 1 1 28 28 VAL CG1 C 13 20.993 0.300 . 2 . . . . 28 VAL CG1 . 10219 1 283 . 1 1 28 28 VAL CG2 C 13 22.630 0.300 . 2 . . . . 28 VAL CG2 . 10219 1 284 . 1 1 28 28 VAL N N 15 118.810 0.300 . 1 . . . . 28 VAL N . 10219 1 285 . 1 1 29 29 HIS H H 1 7.552 0.030 . 1 . . . . 29 HIS H . 10219 1 286 . 1 1 29 29 HIS HA H 1 4.109 0.030 . 1 . . . . 29 HIS HA . 10219 1 287 . 1 1 29 29 HIS HB2 H 1 2.813 0.030 . 2 . . . . 29 HIS HB2 . 10219 1 288 . 1 1 29 29 HIS HB3 H 1 3.129 0.030 . 2 . . . . 29 HIS HB3 . 10219 1 289 . 1 1 29 29 HIS HD2 H 1 6.975 0.030 . 1 . . . . 29 HIS HD2 . 10219 1 290 . 1 1 29 29 HIS HE1 H 1 7.984 0.030 . 1 . . . . 29 HIS HE1 . 10219 1 291 . 1 1 29 29 HIS C C 13 175.916 0.300 . 1 . . . . 29 HIS C . 10219 1 292 . 1 1 29 29 HIS CA C 13 59.370 0.300 . 1 . . . . 29 HIS CA . 10219 1 293 . 1 1 29 29 HIS CB C 13 28.596 0.300 . 1 . . . . 29 HIS CB . 10219 1 294 . 1 1 29 29 HIS CD2 C 13 127.224 0.300 . 1 . . . . 29 HIS CD2 . 10219 1 295 . 1 1 29 29 HIS CE1 C 13 139.493 0.300 . 1 . . . . 29 HIS CE1 . 10219 1 296 . 1 1 29 29 HIS N N 15 120.366 0.300 . 1 . . . . 29 HIS N . 10219 1 297 . 1 1 30 30 GLN H H 1 8.437 0.030 . 1 . . . . 30 GLN H . 10219 1 298 . 1 1 30 30 GLN HA H 1 3.714 0.030 . 1 . . . . 30 GLN HA . 10219 1 299 . 1 1 30 30 GLN HB2 H 1 2.138 0.030 . 2 . . . . 30 GLN HB2 . 10219 1 300 . 1 1 30 30 GLN HB3 H 1 2.297 0.030 . 2 . . . . 30 GLN HB3 . 10219 1 301 . 1 1 30 30 GLN HE21 H 1 7.574 0.030 . 2 . . . . 30 GLN HE21 . 10219 1 302 . 1 1 30 30 GLN HE22 H 1 6.813 0.030 . 2 . . . . 30 GLN HE22 . 10219 1 303 . 1 1 30 30 GLN HG2 H 1 2.820 0.030 . 2 . . . . 30 GLN HG2 . 10219 1 304 . 1 1 30 30 GLN HG3 H 1 2.759 0.030 . 2 . . . . 30 GLN HG3 . 10219 1 305 . 1 1 30 30 GLN C C 13 177.902 0.300 . 1 . . . . 30 GLN C . 10219 1 306 . 1 1 30 30 GLN CA C 13 59.344 0.300 . 1 . . . . 30 GLN CA . 10219 1 307 . 1 1 30 30 GLN CB C 13 28.168 0.300 . 1 . . . . 30 GLN CB . 10219 1 308 . 1 1 30 30 GLN CG C 13 35.400 0.300 . 1 . . . . 30 GLN CG . 10219 1 309 . 1 1 30 30 GLN N N 15 115.477 0.300 . 1 . . . . 30 GLN N . 10219 1 310 . 1 1 30 30 GLN NE2 N 15 111.598 0.300 . 1 . . . . 30 GLN NE2 . 10219 1 311 . 1 1 31 31 GLY H H 1 7.466 0.030 . 1 . . . . 31 GLY H . 10219 1 312 . 1 1 31 31 GLY HA2 H 1 3.969 0.030 . 2 . . . . 31 GLY HA2 . 10219 1 313 . 1 1 31 31 GLY HA3 H 1 3.850 0.030 . 2 . . . . 31 GLY HA3 . 10219 1 314 . 1 1 31 31 GLY C C 13 175.915 0.300 . 1 . . . . 31 GLY C . 10219 1 315 . 1 1 31 31 GLY CA C 13 46.630 0.300 . 1 . . . . 31 GLY CA . 10219 1 316 . 1 1 31 31 GLY N N 15 105.808 0.300 . 1 . . . . 31 GLY N . 10219 1 317 . 1 1 32 32 ILE H H 1 7.806 0.030 . 1 . . . . 32 ILE H . 10219 1 318 . 1 1 32 32 ILE HA H 1 4.000 0.030 . 1 . . . . 32 ILE HA . 10219 1 319 . 1 1 32 32 ILE HB H 1 1.620 0.030 . 1 . . . . 32 ILE HB . 10219 1 320 . 1 1 32 32 ILE HD11 H 1 0.634 0.030 . 1 . . . . 32 ILE HD1 . 10219 1 321 . 1 1 32 32 ILE HD12 H 1 0.634 0.030 . 1 . . . . 32 ILE HD1 . 10219 1 322 . 1 1 32 32 ILE HD13 H 1 0.634 0.030 . 1 . . . . 32 ILE HD1 . 10219 1 323 . 1 1 32 32 ILE HG12 H 1 0.851 0.030 . 2 . . . . 32 ILE HG12 . 10219 1 324 . 1 1 32 32 ILE HG13 H 1 0.619 0.030 . 2 . . . . 32 ILE HG13 . 10219 1 325 . 1 1 32 32 ILE HG21 H 1 0.513 0.030 . 1 . . . . 32 ILE HG2 . 10219 1 326 . 1 1 32 32 ILE HG22 H 1 0.513 0.030 . 1 . . . . 32 ILE HG2 . 10219 1 327 . 1 1 32 32 ILE HG23 H 1 0.513 0.030 . 1 . . . . 32 ILE HG2 . 10219 1 328 . 1 1 32 32 ILE C C 13 177.427 0.300 . 1 . . . . 32 ILE C . 10219 1 329 . 1 1 32 32 ILE CA C 13 62.775 0.300 . 1 . . . . 32 ILE CA . 10219 1 330 . 1 1 32 32 ILE CB C 13 37.641 0.300 . 1 . . . . 32 ILE CB . 10219 1 331 . 1 1 32 32 ILE CD1 C 13 14.473 0.300 . 1 . . . . 32 ILE CD1 . 10219 1 332 . 1 1 32 32 ILE CG1 C 13 26.442 0.300 . 1 . . . . 32 ILE CG1 . 10219 1 333 . 1 1 32 32 ILE CG2 C 13 16.415 0.300 . 1 . . . . 32 ILE CG2 . 10219 1 334 . 1 1 32 32 ILE N N 15 117.910 0.300 . 1 . . . . 32 ILE N . 10219 1 335 . 1 1 33 33 HIS H H 1 7.263 0.030 . 1 . . . . 33 HIS H . 10219 1 336 . 1 1 33 33 HIS HA H 1 4.807 0.030 . 1 . . . . 33 HIS HA . 10219 1 337 . 1 1 33 33 HIS HB2 H 1 3.206 0.030 . 1 . . . . 33 HIS HB2 . 10219 1 338 . 1 1 33 33 HIS HB3 H 1 3.206 0.030 . 1 . . . . 33 HIS HB3 . 10219 1 339 . 1 1 33 33 HIS HD2 H 1 6.798 0.030 . 1 . . . . 33 HIS HD2 . 10219 1 340 . 1 1 33 33 HIS HE1 H 1 7.979 0.030 . 1 . . . . 33 HIS HE1 . 10219 1 341 . 1 1 33 33 HIS C C 13 175.667 0.300 . 1 . . . . 33 HIS C . 10219 1 342 . 1 1 33 33 HIS CA C 13 55.199 0.300 . 1 . . . . 33 HIS CA . 10219 1 343 . 1 1 33 33 HIS CB C 13 28.669 0.300 . 1 . . . . 33 HIS CB . 10219 1 344 . 1 1 33 33 HIS CD2 C 13 128.225 0.300 . 1 . . . . 33 HIS CD2 . 10219 1 345 . 1 1 33 33 HIS CE1 C 13 139.837 0.300 . 1 . . . . 33 HIS CE1 . 10219 1 346 . 1 1 33 33 HIS N N 15 118.200 0.300 . 1 . . . . 33 HIS N . 10219 1 347 . 1 1 34 34 THR H H 1 7.742 0.030 . 1 . . . . 34 THR H . 10219 1 348 . 1 1 34 34 THR HA H 1 4.299 0.030 . 1 . . . . 34 THR HA . 10219 1 349 . 1 1 34 34 THR HB H 1 4.253 0.030 . 1 . . . . 34 THR HB . 10219 1 350 . 1 1 34 34 THR HG21 H 1 1.184 0.030 . 1 . . . . 34 THR HG2 . 10219 1 351 . 1 1 34 34 THR HG22 H 1 1.184 0.030 . 1 . . . . 34 THR HG2 . 10219 1 352 . 1 1 34 34 THR HG23 H 1 1.184 0.030 . 1 . . . . 34 THR HG2 . 10219 1 353 . 1 1 34 34 THR C C 13 175.347 0.300 . 1 . . . . 34 THR C . 10219 1 354 . 1 1 34 34 THR CA C 13 62.279 0.300 . 1 . . . . 34 THR CA . 10219 1 355 . 1 1 34 34 THR CB C 13 69.771 0.300 . 1 . . . . 34 THR CB . 10219 1 356 . 1 1 34 34 THR CG2 C 13 21.555 0.300 . 1 . . . . 34 THR CG2 . 10219 1 357 . 1 1 34 34 THR N N 15 111.663 0.300 . 1 . . . . 34 THR N . 10219 1 358 . 1 1 35 35 GLY H H 1 8.208 0.030 . 1 . . . . 35 GLY H . 10219 1 359 . 1 1 35 35 GLY HA2 H 1 3.956 0.030 . 1 . . . . 35 GLY HA2 . 10219 1 360 . 1 1 35 35 GLY HA3 H 1 3.956 0.030 . 1 . . . . 35 GLY HA3 . 10219 1 361 . 1 1 35 35 GLY C C 13 174.200 0.300 . 1 . . . . 35 GLY C . 10219 1 362 . 1 1 35 35 GLY CA C 13 45.464 0.300 . 1 . . . . 35 GLY CA . 10219 1 363 . 1 1 35 35 GLY N N 15 110.990 0.300 . 1 . . . . 35 GLY N . 10219 1 364 . 1 1 36 36 VAL H H 1 7.948 0.030 . 1 . . . . 36 VAL H . 10219 1 365 . 1 1 36 36 VAL HA H 1 4.124 0.030 . 1 . . . . 36 VAL HA . 10219 1 366 . 1 1 36 36 VAL HB H 1 2.031 0.030 . 1 . . . . 36 VAL HB . 10219 1 367 . 1 1 36 36 VAL HG11 H 1 0.857 0.030 . 1 . . . . 36 VAL HG1 . 10219 1 368 . 1 1 36 36 VAL HG12 H 1 0.857 0.030 . 1 . . . . 36 VAL HG1 . 10219 1 369 . 1 1 36 36 VAL HG13 H 1 0.857 0.030 . 1 . . . . 36 VAL HG1 . 10219 1 370 . 1 1 36 36 VAL HG21 H 1 0.857 0.030 . 1 . . . . 36 VAL HG2 . 10219 1 371 . 1 1 36 36 VAL HG22 H 1 0.857 0.030 . 1 . . . . 36 VAL HG2 . 10219 1 372 . 1 1 36 36 VAL HG23 H 1 0.857 0.030 . 1 . . . . 36 VAL HG2 . 10219 1 373 . 1 1 36 36 VAL C C 13 176.269 0.300 . 1 . . . . 36 VAL C . 10219 1 374 . 1 1 36 36 VAL CA C 13 62.268 0.300 . 1 . . . . 36 VAL CA . 10219 1 375 . 1 1 36 36 VAL CB C 13 32.701 0.300 . 1 . . . . 36 VAL CB . 10219 1 376 . 1 1 36 36 VAL CG1 C 13 20.327 0.300 . 1 . . . . 36 VAL CG1 . 10219 1 377 . 1 1 36 36 VAL CG2 C 13 20.327 0.300 . 1 . . . . 36 VAL CG2 . 10219 1 378 . 1 1 36 36 VAL N N 15 119.178 0.300 . 1 . . . . 36 VAL N . 10219 1 379 . 1 1 37 37 SER H H 1 8.363 0.030 . 1 . . . . 37 SER H . 10219 1 380 . 1 1 37 37 SER HA H 1 4.451 0.030 . 1 . . . . 37 SER HA . 10219 1 381 . 1 1 37 37 SER HB2 H 1 3.847 0.030 . 2 . . . . 37 SER HB2 . 10219 1 382 . 1 1 37 37 SER HB3 H 1 3.793 0.030 . 2 . . . . 37 SER HB3 . 10219 1 383 . 1 1 37 37 SER C C 13 174.469 0.300 . 1 . . . . 37 SER C . 10219 1 384 . 1 1 37 37 SER CA C 13 58.264 0.300 . 1 . . . . 37 SER CA . 10219 1 385 . 1 1 37 37 SER CB C 13 64.029 0.300 . 1 . . . . 37 SER CB . 10219 1 386 . 1 1 37 37 SER N N 15 119.506 0.300 . 1 . . . . 37 SER N . 10219 1 387 . 1 1 38 38 GLY H H 1 8.206 0.030 . 1 . . . . 38 GLY H . 10219 1 388 . 1 1 38 38 GLY HA2 H 1 4.113 0.030 . 2 . . . . 38 GLY HA2 . 10219 1 389 . 1 1 38 38 GLY HA3 H 1 4.011 0.030 . 2 . . . . 38 GLY HA3 . 10219 1 390 . 1 1 38 38 GLY C C 13 171.689 0.300 . 1 . . . . 38 GLY C . 10219 1 391 . 1 1 38 38 GLY CA C 13 44.602 0.300 . 1 . . . . 38 GLY CA . 10219 1 392 . 1 1 38 38 GLY N N 15 110.830 0.300 . 1 . . . . 38 GLY N . 10219 1 393 . 1 1 39 39 PRO HA H 1 4.416 0.030 . 1 . . . . 39 PRO HA . 10219 1 394 . 1 1 39 39 PRO HB2 H 1 2.233 0.030 . 1 . . . . 39 PRO HB2 . 10219 1 395 . 1 1 39 39 PRO HB3 H 1 2.233 0.030 . 1 . . . . 39 PRO HB3 . 10219 1 396 . 1 1 39 39 PRO HD2 H 1 3.566 0.030 . 1 . . . . 39 PRO HD2 . 10219 1 397 . 1 1 39 39 PRO HD3 H 1 3.566 0.030 . 1 . . . . 39 PRO HD3 . 10219 1 398 . 1 1 39 39 PRO HG2 H 1 1.957 0.030 . 1 . . . . 39 PRO HG2 . 10219 1 399 . 1 1 39 39 PRO HG3 H 1 1.957 0.030 . 1 . . . . 39 PRO HG3 . 10219 1 400 . 1 1 39 39 PRO C C 13 177.347 0.300 . 1 . . . . 39 PRO C . 10219 1 401 . 1 1 39 39 PRO CA C 13 63.184 0.300 . 1 . . . . 39 PRO CA . 10219 1 402 . 1 1 39 39 PRO CB C 13 32.171 0.300 . 1 . . . . 39 PRO CB . 10219 1 403 . 1 1 39 39 PRO CD C 13 49.787 0.300 . 1 . . . . 39 PRO CD . 10219 1 404 . 1 1 39 39 PRO CG C 13 27.105 0.300 . 1 . . . . 39 PRO CG . 10219 1 405 . 1 1 40 40 SER H H 1 8.503 0.030 . 1 . . . . 40 SER H . 10219 1 406 . 1 1 40 40 SER HA H 1 4.455 0.030 . 1 . . . . 40 SER HA . 10219 1 407 . 1 1 40 40 SER HB2 H 1 3.854 0.030 . 2 . . . . 40 SER HB2 . 10219 1 408 . 1 1 40 40 SER HB3 H 1 3.798 0.030 . 2 . . . . 40 SER HB3 . 10219 1 409 . 1 1 40 40 SER C C 13 174.649 0.300 . 1 . . . . 40 SER C . 10219 1 410 . 1 1 40 40 SER CA C 13 58.366 0.300 . 1 . . . . 40 SER CA . 10219 1 411 . 1 1 40 40 SER CB C 13 63.806 0.300 . 1 . . . . 40 SER CB . 10219 1 412 . 1 1 40 40 SER N N 15 116.420 0.300 . 1 . . . . 40 SER N . 10219 1 413 . 1 1 41 41 SER H H 1 8.301 0.030 . 1 . . . . 41 SER H . 10219 1 414 . 1 1 41 41 SER HA H 1 4.452 0.030 . 1 . . . . 41 SER HA . 10219 1 415 . 1 1 41 41 SER HB2 H 1 3.859 0.030 . 1 . . . . 41 SER HB2 . 10219 1 416 . 1 1 41 41 SER HB3 H 1 3.859 0.030 . 1 . . . . 41 SER HB3 . 10219 1 417 . 1 1 41 41 SER C C 13 173.899 0.300 . 1 . . . . 41 SER C . 10219 1 418 . 1 1 41 41 SER CA C 13 58.385 0.300 . 1 . . . . 41 SER CA . 10219 1 419 . 1 1 41 41 SER CB C 13 64.120 0.300 . 1 . . . . 41 SER CB . 10219 1 420 . 1 1 41 41 SER N N 15 117.874 0.300 . 1 . . . . 41 SER N . 10219 1 421 . 1 1 42 42 GLY H H 1 8.023 0.030 . 1 . . . . 42 GLY H . 10219 1 422 . 1 1 42 42 GLY C C 13 178.959 0.300 . 1 . . . . 42 GLY C . 10219 1 423 . 1 1 42 42 GLY CA C 13 46.224 0.300 . 1 . . . . 42 GLY CA . 10219 1 424 . 1 1 42 42 GLY N N 15 116.853 0.300 . 1 . . . . 42 GLY N . 10219 1 stop_ save_