################################### # 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 10217 _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 10217 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10217 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.954 0.030 . 1 . . . . 7 GLY HA2 . 10217 1 2 . 1 1 7 7 GLY HA3 H 1 3.954 0.030 . 1 . . . . 7 GLY HA3 . 10217 1 3 . 1 1 7 7 GLY C C 13 173.934 0.300 . 1 . . . . 7 GLY C . 10217 1 4 . 1 1 7 7 GLY CA C 13 45.271 0.300 . 1 . . . . 7 GLY CA . 10217 1 5 . 1 1 8 8 VAL H H 1 7.897 0.030 . 1 . . . . 8 VAL H . 10217 1 6 . 1 1 8 8 VAL HA H 1 4.047 0.030 . 1 . . . . 8 VAL HA . 10217 1 7 . 1 1 8 8 VAL HB H 1 2.032 0.030 . 1 . . . . 8 VAL HB . 10217 1 8 . 1 1 8 8 VAL HG11 H 1 0.914 0.030 . 1 . . . . 8 VAL HG1 . 10217 1 9 . 1 1 8 8 VAL HG12 H 1 0.914 0.030 . 1 . . . . 8 VAL HG1 . 10217 1 10 . 1 1 8 8 VAL HG13 H 1 0.914 0.030 . 1 . . . . 8 VAL HG1 . 10217 1 11 . 1 1 8 8 VAL HG21 H 1 0.904 0.030 . 1 . . . . 8 VAL HG2 . 10217 1 12 . 1 1 8 8 VAL HG22 H 1 0.904 0.030 . 1 . . . . 8 VAL HG2 . 10217 1 13 . 1 1 8 8 VAL HG23 H 1 0.904 0.030 . 1 . . . . 8 VAL HG2 . 10217 1 14 . 1 1 8 8 VAL C C 13 175.891 0.300 . 1 . . . . 8 VAL C . 10217 1 15 . 1 1 8 8 VAL CA C 13 62.520 0.300 . 1 . . . . 8 VAL CA . 10217 1 16 . 1 1 8 8 VAL CB C 13 32.445 0.300 . 1 . . . . 8 VAL CB . 10217 1 17 . 1 1 8 8 VAL CG1 C 13 20.544 0.300 . 2 . . . . 8 VAL CG1 . 10217 1 18 . 1 1 8 8 VAL CG2 C 13 21.155 0.300 . 2 . . . . 8 VAL CG2 . 10217 1 19 . 1 1 8 8 VAL N N 15 119.114 0.300 . 1 . . . . 8 VAL N . 10217 1 20 . 1 1 9 9 LYS H H 1 8.299 0.030 . 1 . . . . 9 LYS H . 10217 1 21 . 1 1 9 9 LYS HA H 1 4.522 0.030 . 1 . . . . 9 LYS HA . 10217 1 22 . 1 1 9 9 LYS HB2 H 1 1.576 0.030 . 2 . . . . 9 LYS HB2 . 10217 1 23 . 1 1 9 9 LYS HB3 H 1 1.423 0.030 . 2 . . . . 9 LYS HB3 . 10217 1 24 . 1 1 9 9 LYS HD2 H 1 1.505 0.030 . 2 . . . . 9 LYS HD2 . 10217 1 25 . 1 1 9 9 LYS HE2 H 1 2.921 0.030 . 2 . . . . 9 LYS HE2 . 10217 1 26 . 1 1 9 9 LYS HG2 H 1 1.348 0.030 . 2 . . . . 9 LYS HG2 . 10217 1 27 . 1 1 9 9 LYS HG3 H 1 1.156 0.030 . 2 . . . . 9 LYS HG3 . 10217 1 28 . 1 1 9 9 LYS C C 13 173.981 0.300 . 1 . . . . 9 LYS C . 10217 1 29 . 1 1 9 9 LYS CA C 13 53.793 0.300 . 1 . . . . 9 LYS CA . 10217 1 30 . 1 1 9 9 LYS CB C 13 33.011 0.300 . 1 . . . . 9 LYS CB . 10217 1 31 . 1 1 9 9 LYS CD C 13 29.420 0.300 . 1 . . . . 9 LYS CD . 10217 1 32 . 1 1 9 9 LYS CE C 13 42.267 0.300 . 1 . . . . 9 LYS CE . 10217 1 33 . 1 1 9 9 LYS CG C 13 24.971 0.300 . 1 . . . . 9 LYS CG . 10217 1 34 . 1 1 9 9 LYS N N 15 125.248 0.300 . 1 . . . . 9 LYS N . 10217 1 35 . 1 1 10 10 PRO HA H 1 4.290 0.030 . 1 . . . . 10 PRO HA . 10217 1 36 . 1 1 10 10 PRO HB2 H 1 2.018 0.030 . 2 . . . . 10 PRO HB2 . 10217 1 37 . 1 1 10 10 PRO HB3 H 1 1.258 0.030 . 2 . . . . 10 PRO HB3 . 10217 1 38 . 1 1 10 10 PRO HD2 H 1 3.735 0.030 . 2 . . . . 10 PRO HD2 . 10217 1 39 . 1 1 10 10 PRO HD3 H 1 3.623 0.030 . 2 . . . . 10 PRO HD3 . 10217 1 40 . 1 1 10 10 PRO HG2 H 1 1.811 0.030 . 2 . . . . 10 PRO HG2 . 10217 1 41 . 1 1 10 10 PRO HG3 H 1 1.694 0.030 . 2 . . . . 10 PRO HG3 . 10217 1 42 . 1 1 10 10 PRO C C 13 176.364 0.300 . 1 . . . . 10 PRO C . 10217 1 43 . 1 1 10 10 PRO CA C 13 63.426 0.300 . 1 . . . . 10 PRO CA . 10217 1 44 . 1 1 10 10 PRO CB C 13 32.209 0.300 . 1 . . . . 10 PRO CB . 10217 1 45 . 1 1 10 10 PRO CD C 13 50.442 0.300 . 1 . . . . 10 PRO CD . 10217 1 46 . 1 1 10 10 PRO CG C 13 26.729 0.300 . 1 . . . . 10 PRO CG . 10217 1 47 . 1 1 11 11 TYR H H 1 7.981 0.030 . 1 . . . . 11 TYR H . 10217 1 48 . 1 1 11 11 TYR HA H 1 4.659 0.030 . 1 . . . . 11 TYR HA . 10217 1 49 . 1 1 11 11 TYR HB2 H 1 2.971 0.030 . 2 . . . . 11 TYR HB2 . 10217 1 50 . 1 1 11 11 TYR HB3 H 1 2.859 0.030 . 2 . . . . 11 TYR HB3 . 10217 1 51 . 1 1 11 11 TYR HD1 H 1 7.038 0.030 . 1 . . . . 11 TYR HD1 . 10217 1 52 . 1 1 11 11 TYR HD2 H 1 7.038 0.030 . 1 . . . . 11 TYR HD2 . 10217 1 53 . 1 1 11 11 TYR HE1 H 1 6.894 0.030 . 1 . . . . 11 TYR HE1 . 10217 1 54 . 1 1 11 11 TYR HE2 H 1 6.894 0.030 . 1 . . . . 11 TYR HE2 . 10217 1 55 . 1 1 11 11 TYR C C 13 175.225 0.300 . 1 . . . . 11 TYR C . 10217 1 56 . 1 1 11 11 TYR CA C 13 57.195 0.300 . 1 . . . . 11 TYR CA . 10217 1 57 . 1 1 11 11 TYR CB C 13 38.185 0.300 . 1 . . . . 11 TYR CB . 10217 1 58 . 1 1 11 11 TYR CD1 C 13 133.106 0.300 . 1 . . . . 11 TYR CD1 . 10217 1 59 . 1 1 11 11 TYR CD2 C 13 133.106 0.300 . 1 . . . . 11 TYR CD2 . 10217 1 60 . 1 1 11 11 TYR CE1 C 13 118.361 0.300 . 1 . . . . 11 TYR CE1 . 10217 1 61 . 1 1 11 11 TYR CE2 C 13 118.361 0.300 . 1 . . . . 11 TYR CE2 . 10217 1 62 . 1 1 11 11 TYR N N 15 117.941 0.300 . 1 . . . . 11 TYR N . 10217 1 63 . 1 1 12 12 GLY H H 1 8.475 0.030 . 1 . . . . 12 GLY H . 10217 1 64 . 1 1 12 12 GLY HA2 H 1 3.630 0.030 . 2 . . . . 12 GLY HA2 . 10217 1 65 . 1 1 12 12 GLY HA3 H 1 4.709 0.030 . 2 . . . . 12 GLY HA3 . 10217 1 66 . 1 1 12 12 GLY C C 13 172.847 0.300 . 1 . . . . 12 GLY C . 10217 1 67 . 1 1 12 12 GLY CA C 13 44.512 0.300 . 1 . . . . 12 GLY CA . 10217 1 68 . 1 1 12 12 GLY N N 15 111.547 0.300 . 1 . . . . 12 GLY N . 10217 1 69 . 1 1 13 13 CYS H H 1 9.098 0.030 . 1 . . . . 13 CYS H . 10217 1 70 . 1 1 13 13 CYS HA H 1 4.701 0.030 . 1 . . . . 13 CYS HA . 10217 1 71 . 1 1 13 13 CYS HB2 H 1 2.887 0.030 . 2 . . . . 13 CYS HB2 . 10217 1 72 . 1 1 13 13 CYS HB3 H 1 3.423 0.030 . 2 . . . . 13 CYS HB3 . 10217 1 73 . 1 1 13 13 CYS C C 13 177.769 0.300 . 1 . . . . 13 CYS C . 10217 1 74 . 1 1 13 13 CYS CA C 13 59.277 0.300 . 1 . . . . 13 CYS CA . 10217 1 75 . 1 1 13 13 CYS CB C 13 30.109 0.300 . 1 . . . . 13 CYS CB . 10217 1 76 . 1 1 13 13 CYS N N 15 124.934 0.300 . 1 . . . . 13 CYS N . 10217 1 77 . 1 1 14 14 SER H H 1 9.169 0.030 . 1 . . . . 14 SER H . 10217 1 78 . 1 1 14 14 SER HA H 1 4.273 0.030 . 1 . . . . 14 SER HA . 10217 1 79 . 1 1 14 14 SER HB2 H 1 4.063 0.030 . 2 . . . . 14 SER HB2 . 10217 1 80 . 1 1 14 14 SER HB3 H 1 3.984 0.030 . 2 . . . . 14 SER HB3 . 10217 1 81 . 1 1 14 14 SER C C 13 174.567 0.300 . 1 . . . . 14 SER C . 10217 1 82 . 1 1 14 14 SER CA C 13 60.801 0.300 . 1 . . . . 14 SER CA . 10217 1 83 . 1 1 14 14 SER CB C 13 63.065 0.300 . 1 . . . . 14 SER CB . 10217 1 84 . 1 1 14 14 SER N N 15 127.617 0.300 . 1 . . . . 14 SER N . 10217 1 85 . 1 1 15 15 GLU H H 1 9.031 0.030 . 1 . . . . 15 GLU H . 10217 1 86 . 1 1 15 15 GLU HA H 1 4.274 0.030 . 1 . . . . 15 GLU HA . 10217 1 87 . 1 1 15 15 GLU HB2 H 1 1.441 0.030 . 2 . . . . 15 GLU HB2 . 10217 1 88 . 1 1 15 15 GLU HB3 H 1 1.235 0.030 . 2 . . . . 15 GLU HB3 . 10217 1 89 . 1 1 15 15 GLU HG2 H 1 1.855 0.030 . 1 . . . . 15 GLU HG2 . 10217 1 90 . 1 1 15 15 GLU HG3 H 1 1.855 0.030 . 1 . . . . 15 GLU HG3 . 10217 1 91 . 1 1 15 15 GLU C C 13 177.149 0.300 . 1 . . . . 15 GLU C . 10217 1 92 . 1 1 15 15 GLU CA C 13 57.715 0.300 . 1 . . . . 15 GLU CA . 10217 1 93 . 1 1 15 15 GLU CB C 13 29.512 0.300 . 1 . . . . 15 GLU CB . 10217 1 94 . 1 1 15 15 GLU CG C 13 35.546 0.300 . 1 . . . . 15 GLU CG . 10217 1 95 . 1 1 15 15 GLU N N 15 123.683 0.300 . 1 . . . . 15 GLU N . 10217 1 96 . 1 1 16 16 CYS H H 1 8.253 0.030 . 1 . . . . 16 CYS H . 10217 1 97 . 1 1 16 16 CYS HA H 1 5.178 0.030 . 1 . . . . 16 CYS HA . 10217 1 98 . 1 1 16 16 CYS HB2 H 1 2.915 0.030 . 2 . . . . 16 CYS HB2 . 10217 1 99 . 1 1 16 16 CYS HB3 H 1 3.452 0.030 . 2 . . . . 16 CYS HB3 . 10217 1 100 . 1 1 16 16 CYS C C 13 176.203 0.300 . 1 . . . . 16 CYS C . 10217 1 101 . 1 1 16 16 CYS CA C 13 58.466 0.300 . 1 . . . . 16 CYS CA . 10217 1 102 . 1 1 16 16 CYS CB C 13 32.439 0.300 . 1 . . . . 16 CYS CB . 10217 1 103 . 1 1 16 16 CYS N N 15 116.046 0.300 . 1 . . . . 16 CYS N . 10217 1 104 . 1 1 17 17 GLY H H 1 8.087 0.030 . 1 . . . . 17 GLY H . 10217 1 105 . 1 1 17 17 GLY HA2 H 1 3.882 0.030 . 2 . . . . 17 GLY HA2 . 10217 1 106 . 1 1 17 17 GLY HA3 H 1 4.225 0.030 . 2 . . . . 17 GLY HA3 . 10217 1 107 . 1 1 17 17 GLY C C 13 174.332 0.300 . 1 . . . . 17 GLY C . 10217 1 108 . 1 1 17 17 GLY CA C 13 46.224 0.300 . 1 . . . . 17 GLY CA . 10217 1 109 . 1 1 17 17 GLY N N 15 112.453 0.300 . 1 . . . . 17 GLY N . 10217 1 110 . 1 1 18 18 LYS H H 1 7.998 0.030 . 1 . . . . 18 LYS H . 10217 1 111 . 1 1 18 18 LYS HA H 1 4.011 0.030 . 1 . . . . 18 LYS HA . 10217 1 112 . 1 1 18 18 LYS HB2 H 1 1.408 0.030 . 2 . . . . 18 LYS HB2 . 10217 1 113 . 1 1 18 18 LYS HB3 H 1 1.293 0.030 . 2 . . . . 18 LYS HB3 . 10217 1 114 . 1 1 18 18 LYS HD2 H 1 1.561 0.030 . 1 . . . . 18 LYS HD2 . 10217 1 115 . 1 1 18 18 LYS HD3 H 1 1.561 0.030 . 1 . . . . 18 LYS HD3 . 10217 1 116 . 1 1 18 18 LYS HE2 H 1 3.016 0.030 . 2 . . . . 18 LYS HE2 . 10217 1 117 . 1 1 18 18 LYS HE3 H 1 2.987 0.030 . 2 . . . . 18 LYS HE3 . 10217 1 118 . 1 1 18 18 LYS HG2 H 1 1.534 0.030 . 2 . . . . 18 LYS HG2 . 10217 1 119 . 1 1 18 18 LYS HG3 H 1 1.205 0.030 . 2 . . . . 18 LYS HG3 . 10217 1 120 . 1 1 18 18 LYS C C 13 173.574 0.300 . 1 . . . . 18 LYS C . 10217 1 121 . 1 1 18 18 LYS CA C 13 58.142 0.300 . 1 . . . . 18 LYS CA . 10217 1 122 . 1 1 18 18 LYS CB C 13 33.979 0.300 . 1 . . . . 18 LYS CB . 10217 1 123 . 1 1 18 18 LYS CD C 13 29.395 0.300 . 1 . . . . 18 LYS CD . 10217 1 124 . 1 1 18 18 LYS CE C 13 42.230 0.300 . 1 . . . . 18 LYS CE . 10217 1 125 . 1 1 18 18 LYS CG C 13 26.431 0.300 . 1 . . . . 18 LYS CG . 10217 1 126 . 1 1 18 18 LYS N N 15 123.407 0.300 . 1 . . . . 18 LYS N . 10217 1 127 . 1 1 19 19 ALA H H 1 7.768 0.030 . 1 . . . . 19 ALA H . 10217 1 128 . 1 1 19 19 ALA HA H 1 5.057 0.030 . 1 . . . . 19 ALA HA . 10217 1 129 . 1 1 19 19 ALA HB1 H 1 1.181 0.030 . 1 . . . . 19 ALA HB . 10217 1 130 . 1 1 19 19 ALA HB2 H 1 1.181 0.030 . 1 . . . . 19 ALA HB . 10217 1 131 . 1 1 19 19 ALA HB3 H 1 1.181 0.030 . 1 . . . . 19 ALA HB . 10217 1 132 . 1 1 19 19 ALA C C 13 176.149 0.300 . 1 . . . . 19 ALA C . 10217 1 133 . 1 1 19 19 ALA CA C 13 50.649 0.300 . 1 . . . . 19 ALA CA . 10217 1 134 . 1 1 19 19 ALA CB C 13 22.135 0.300 . 1 . . . . 19 ALA CB . 10217 1 135 . 1 1 19 19 ALA N N 15 122.869 0.300 . 1 . . . . 19 ALA N . 10217 1 136 . 1 1 20 20 PHE H H 1 8.400 0.030 . 1 . . . . 20 PHE H . 10217 1 137 . 1 1 20 20 PHE HA H 1 4.787 0.030 . 1 . . . . 20 PHE HA . 10217 1 138 . 1 1 20 20 PHE HB2 H 1 2.864 0.030 . 2 . . . . 20 PHE HB2 . 10217 1 139 . 1 1 20 20 PHE HB3 H 1 3.451 0.030 . 2 . . . . 20 PHE HB3 . 10217 1 140 . 1 1 20 20 PHE HD1 H 1 7.352 0.030 . 1 . . . . 20 PHE HD1 . 10217 1 141 . 1 1 20 20 PHE HD2 H 1 7.352 0.030 . 1 . . . . 20 PHE HD2 . 10217 1 142 . 1 1 20 20 PHE HE1 H 1 6.854 0.030 . 1 . . . . 20 PHE HE1 . 10217 1 143 . 1 1 20 20 PHE HE2 H 1 6.854 0.030 . 1 . . . . 20 PHE HE2 . 10217 1 144 . 1 1 20 20 PHE HZ H 1 6.211 0.030 . 1 . . . . 20 PHE HZ . 10217 1 145 . 1 1 20 20 PHE C C 13 175.996 0.300 . 1 . . . . 20 PHE C . 10217 1 146 . 1 1 20 20 PHE CA C 13 57.402 0.300 . 1 . . . . 20 PHE CA . 10217 1 147 . 1 1 20 20 PHE CB C 13 44.177 0.300 . 1 . . . . 20 PHE CB . 10217 1 148 . 1 1 20 20 PHE CD1 C 13 132.242 0.300 . 1 . . . . 20 PHE CD1 . 10217 1 149 . 1 1 20 20 PHE CD2 C 13 132.242 0.300 . 1 . . . . 20 PHE CD2 . 10217 1 150 . 1 1 20 20 PHE CE1 C 13 130.776 0.300 . 1 . . . . 20 PHE CE1 . 10217 1 151 . 1 1 20 20 PHE CE2 C 13 130.776 0.300 . 1 . . . . 20 PHE CE2 . 10217 1 152 . 1 1 20 20 PHE CZ C 13 128.826 0.300 . 1 . . . . 20 PHE CZ . 10217 1 153 . 1 1 20 20 PHE N N 15 116.260 0.300 . 1 . . . . 20 PHE N . 10217 1 154 . 1 1 21 21 ARG H H 1 9.316 0.030 . 1 . . . . 21 ARG H . 10217 1 155 . 1 1 21 21 ARG HA H 1 4.478 0.030 . 1 . . . . 21 ARG HA . 10217 1 156 . 1 1 21 21 ARG HB2 H 1 2.034 0.030 . 1 . . . . 21 ARG HB2 . 10217 1 157 . 1 1 21 21 ARG HB3 H 1 2.034 0.030 . 1 . . . . 21 ARG HB3 . 10217 1 158 . 1 1 21 21 ARG HD2 H 1 3.266 0.030 . 1 . . . . 21 ARG HD2 . 10217 1 159 . 1 1 21 21 ARG HD3 H 1 3.266 0.030 . 1 . . . . 21 ARG HD3 . 10217 1 160 . 1 1 21 21 ARG HG2 H 1 1.801 0.030 . 1 . . . . 21 ARG HG2 . 10217 1 161 . 1 1 21 21 ARG HG3 H 1 1.801 0.030 . 1 . . . . 21 ARG HG3 . 10217 1 162 . 1 1 21 21 ARG C C 13 175.389 0.300 . 1 . . . . 21 ARG C . 10217 1 163 . 1 1 21 21 ARG CA C 13 57.837 0.300 . 1 . . . . 21 ARG CA . 10217 1 164 . 1 1 21 21 ARG CB C 13 31.184 0.300 . 1 . . . . 21 ARG CB . 10217 1 165 . 1 1 21 21 ARG CD C 13 43.461 0.300 . 1 . . . . 21 ARG CD . 10217 1 166 . 1 1 21 21 ARG CG C 13 27.527 0.300 . 1 . . . . 21 ARG CG . 10217 1 167 . 1 1 21 21 ARG N N 15 119.000 0.300 . 1 . . . . 21 ARG N . 10217 1 168 . 1 1 22 22 SER H H 1 7.474 0.030 . 1 . . . . 22 SER H . 10217 1 169 . 1 1 22 22 SER HA H 1 4.696 0.030 . 1 . . . . 22 SER HA . 10217 1 170 . 1 1 22 22 SER HB2 H 1 3.711 0.030 . 2 . . . . 22 SER HB2 . 10217 1 171 . 1 1 22 22 SER HB3 H 1 3.933 0.030 . 2 . . . . 22 SER HB3 . 10217 1 172 . 1 1 22 22 SER C C 13 173.464 0.300 . 1 . . . . 22 SER C . 10217 1 173 . 1 1 22 22 SER CA C 13 55.901 0.300 . 1 . . . . 22 SER CA . 10217 1 174 . 1 1 22 22 SER CB C 13 66.117 0.300 . 1 . . . . 22 SER CB . 10217 1 175 . 1 1 22 22 SER N N 15 109.845 0.300 . 1 . . . . 22 SER N . 10217 1 176 . 1 1 23 23 LYS H H 1 8.388 0.030 . 1 . . . . 23 LYS H . 10217 1 177 . 1 1 23 23 LYS HA H 1 3.324 0.030 . 1 . . . . 23 LYS HA . 10217 1 178 . 1 1 23 23 LYS HB2 H 1 1.581 0.030 . 2 . . . . 23 LYS HB2 . 10217 1 179 . 1 1 23 23 LYS HB3 H 1 1.262 0.030 . 2 . . . . 23 LYS HB3 . 10217 1 180 . 1 1 23 23 LYS HD2 H 1 1.613 0.030 . 2 . . . . 23 LYS HD2 . 10217 1 181 . 1 1 23 23 LYS HD3 H 1 1.663 0.030 . 2 . . . . 23 LYS HD3 . 10217 1 182 . 1 1 23 23 LYS HE2 H 1 2.942 0.030 . 1 . . . . 23 LYS HE2 . 10217 1 183 . 1 1 23 23 LYS HE3 H 1 2.942 0.030 . 1 . . . . 23 LYS HE3 . 10217 1 184 . 1 1 23 23 LYS HG2 H 1 1.268 0.030 . 2 . . . . 23 LYS HG2 . 10217 1 185 . 1 1 23 23 LYS HG3 H 1 1.143 0.030 . 2 . . . . 23 LYS HG3 . 10217 1 186 . 1 1 23 23 LYS C C 13 178.109 0.300 . 1 . . . . 23 LYS C . 10217 1 187 . 1 1 23 23 LYS CA C 13 58.994 0.300 . 1 . . . . 23 LYS CA . 10217 1 188 . 1 1 23 23 LYS CB C 13 31.895 0.300 . 1 . . . . 23 LYS CB . 10217 1 189 . 1 1 23 23 LYS CD C 13 29.303 0.300 . 1 . . . . 23 LYS CD . 10217 1 190 . 1 1 23 23 LYS CE C 13 42.243 0.300 . 1 . . . . 23 LYS CE . 10217 1 191 . 1 1 23 23 LYS CG C 13 25.018 0.300 . 1 . . . . 23 LYS CG . 10217 1 192 . 1 1 23 23 LYS N N 15 125.361 0.300 . 1 . . . . 23 LYS N . 10217 1 193 . 1 1 24 24 SER H H 1 8.217 0.030 . 1 . . . . 24 SER H . 10217 1 194 . 1 1 24 24 SER HA H 1 3.980 0.030 . 1 . . . . 24 SER HA . 10217 1 195 . 1 1 24 24 SER HB2 H 1 3.707 0.030 . 1 . . . . 24 SER HB2 . 10217 1 196 . 1 1 24 24 SER HB3 H 1 3.707 0.030 . 1 . . . . 24 SER HB3 . 10217 1 197 . 1 1 24 24 SER C C 13 176.910 0.300 . 1 . . . . 24 SER C . 10217 1 198 . 1 1 24 24 SER CA C 13 61.457 0.300 . 1 . . . . 24 SER CA . 10217 1 199 . 1 1 24 24 SER CB C 13 61.986 0.300 . 1 . . . . 24 SER CB . 10217 1 200 . 1 1 24 24 SER N N 15 113.056 0.300 . 1 . . . . 24 SER N . 10217 1 201 . 1 1 25 25 TYR H H 1 7.270 0.030 . 1 . . . . 25 TYR H . 10217 1 202 . 1 1 25 25 TYR HA H 1 4.258 0.030 . 1 . . . . 25 TYR HA . 10217 1 203 . 1 1 25 25 TYR HB2 H 1 3.160 0.030 . 2 . . . . 25 TYR HB2 . 10217 1 204 . 1 1 25 25 TYR HB3 H 1 3.053 0.030 . 2 . . . . 25 TYR HB3 . 10217 1 205 . 1 1 25 25 TYR HD1 H 1 7.217 0.030 . 1 . . . . 25 TYR HD1 . 10217 1 206 . 1 1 25 25 TYR HD2 H 1 7.217 0.030 . 1 . . . . 25 TYR HD2 . 10217 1 207 . 1 1 25 25 TYR HE1 H 1 6.886 0.030 . 1 . . . . 25 TYR HE1 . 10217 1 208 . 1 1 25 25 TYR HE2 H 1 6.886 0.030 . 1 . . . . 25 TYR HE2 . 10217 1 209 . 1 1 25 25 TYR C C 13 178.363 0.300 . 1 . . . . 25 TYR C . 10217 1 210 . 1 1 25 25 TYR CA C 13 59.989 0.300 . 1 . . . . 25 TYR CA . 10217 1 211 . 1 1 25 25 TYR CB C 13 37.656 0.300 . 1 . . . . 25 TYR CB . 10217 1 212 . 1 1 25 25 TYR CD1 C 13 132.264 0.300 . 1 . . . . 25 TYR CD1 . 10217 1 213 . 1 1 25 25 TYR CD2 C 13 132.264 0.300 . 1 . . . . 25 TYR CD2 . 10217 1 214 . 1 1 25 25 TYR CE1 C 13 118.378 0.300 . 1 . . . . 25 TYR CE1 . 10217 1 215 . 1 1 25 25 TYR CE2 C 13 118.378 0.300 . 1 . . . . 25 TYR CE2 . 10217 1 216 . 1 1 25 25 TYR N N 15 119.562 0.300 . 1 . . . . 25 TYR N . 10217 1 217 . 1 1 26 26 LEU H H 1 7.354 0.030 . 1 . . . . 26 LEU H . 10217 1 218 . 1 1 26 26 LEU HA H 1 3.466 0.030 . 1 . . . . 26 LEU HA . 10217 1 219 . 1 1 26 26 LEU HB2 H 1 1.442 0.030 . 2 . . . . 26 LEU HB2 . 10217 1 220 . 1 1 26 26 LEU HB3 H 1 2.154 0.030 . 2 . . . . 26 LEU HB3 . 10217 1 221 . 1 1 26 26 LEU HD11 H 1 1.067 0.030 . 1 . . . . 26 LEU HD1 . 10217 1 222 . 1 1 26 26 LEU HD12 H 1 1.067 0.030 . 1 . . . . 26 LEU HD1 . 10217 1 223 . 1 1 26 26 LEU HD13 H 1 1.067 0.030 . 1 . . . . 26 LEU HD1 . 10217 1 224 . 1 1 26 26 LEU HD21 H 1 1.063 0.030 . 1 . . . . 26 LEU HD2 . 10217 1 225 . 1 1 26 26 LEU HD22 H 1 1.063 0.030 . 1 . . . . 26 LEU HD2 . 10217 1 226 . 1 1 26 26 LEU HD23 H 1 1.063 0.030 . 1 . . . . 26 LEU HD2 . 10217 1 227 . 1 1 26 26 LEU HG H 1 1.608 0.030 . 1 . . . . 26 LEU HG . 10217 1 228 . 1 1 26 26 LEU C C 13 177.513 0.300 . 1 . . . . 26 LEU C . 10217 1 229 . 1 1 26 26 LEU CA C 13 58.142 0.300 . 1 . . . . 26 LEU CA . 10217 1 230 . 1 1 26 26 LEU CB C 13 40.723 0.300 . 1 . . . . 26 LEU CB . 10217 1 231 . 1 1 26 26 LEU CD1 C 13 22.825 0.300 . 2 . . . . 26 LEU CD1 . 10217 1 232 . 1 1 26 26 LEU CD2 C 13 26.518 0.300 . 2 . . . . 26 LEU CD2 . 10217 1 233 . 1 1 26 26 LEU CG C 13 27.637 0.300 . 1 . . . . 26 LEU CG . 10217 1 234 . 1 1 26 26 LEU N N 15 122.537 0.300 . 1 . . . . 26 LEU N . 10217 1 235 . 1 1 27 27 ILE H H 1 8.244 0.030 . 1 . . . . 27 ILE H . 10217 1 236 . 1 1 27 27 ILE HA H 1 3.594 0.030 . 1 . . . . 27 ILE HA . 10217 1 237 . 1 1 27 27 ILE HB H 1 1.881 0.030 . 1 . . . . 27 ILE HB . 10217 1 238 . 1 1 27 27 ILE HD11 H 1 0.794 0.030 . 1 . . . . 27 ILE HD1 . 10217 1 239 . 1 1 27 27 ILE HD12 H 1 0.794 0.030 . 1 . . . . 27 ILE HD1 . 10217 1 240 . 1 1 27 27 ILE HD13 H 1 0.794 0.030 . 1 . . . . 27 ILE HD1 . 10217 1 241 . 1 1 27 27 ILE HG12 H 1 1.617 0.030 . 2 . . . . 27 ILE HG12 . 10217 1 242 . 1 1 27 27 ILE HG13 H 1 1.220 0.030 . 2 . . . . 27 ILE HG13 . 10217 1 243 . 1 1 27 27 ILE HG21 H 1 0.868 0.030 . 1 . . . . 27 ILE HG2 . 10217 1 244 . 1 1 27 27 ILE HG22 H 1 0.868 0.030 . 1 . . . . 27 ILE HG2 . 10217 1 245 . 1 1 27 27 ILE HG23 H 1 0.868 0.030 . 1 . . . . 27 ILE HG2 . 10217 1 246 . 1 1 27 27 ILE C C 13 179.045 0.300 . 1 . . . . 27 ILE C . 10217 1 247 . 1 1 27 27 ILE CA C 13 65.264 0.300 . 1 . . . . 27 ILE CA . 10217 1 248 . 1 1 27 27 ILE CB C 13 37.650 0.300 . 1 . . . . 27 ILE CB . 10217 1 249 . 1 1 27 27 ILE CD1 C 13 12.929 0.300 . 1 . . . . 27 ILE CD1 . 10217 1 250 . 1 1 27 27 ILE CG1 C 13 29.128 0.300 . 1 . . . . 27 ILE CG1 . 10217 1 251 . 1 1 27 27 ILE CG2 C 13 17.078 0.300 . 1 . . . . 27 ILE CG2 . 10217 1 252 . 1 1 27 27 ILE N N 15 120.012 0.300 . 1 . . . . 27 ILE N . 10217 1 253 . 1 1 28 28 ILE H H 1 7.350 0.030 . 1 . . . . 28 ILE H . 10217 1 254 . 1 1 28 28 ILE HA H 1 3.541 0.030 . 1 . . . . 28 ILE HA . 10217 1 255 . 1 1 28 28 ILE HB H 1 1.688 0.030 . 1 . . . . 28 ILE HB . 10217 1 256 . 1 1 28 28 ILE HD11 H 1 0.761 0.030 . 1 . . . . 28 ILE HD1 . 10217 1 257 . 1 1 28 28 ILE HD12 H 1 0.761 0.030 . 1 . . . . 28 ILE HD1 . 10217 1 258 . 1 1 28 28 ILE HD13 H 1 0.761 0.030 . 1 . . . . 28 ILE HD1 . 10217 1 259 . 1 1 28 28 ILE HG12 H 1 1.655 0.030 . 2 . . . . 28 ILE HG12 . 10217 1 260 . 1 1 28 28 ILE HG13 H 1 1.086 0.030 . 2 . . . . 28 ILE HG13 . 10217 1 261 . 1 1 28 28 ILE HG21 H 1 0.873 0.030 . 1 . . . . 28 ILE HG2 . 10217 1 262 . 1 1 28 28 ILE HG22 H 1 0.873 0.030 . 1 . . . . 28 ILE HG2 . 10217 1 263 . 1 1 28 28 ILE HG23 H 1 0.873 0.030 . 1 . . . . 28 ILE HG2 . 10217 1 264 . 1 1 28 28 ILE C C 13 179.008 0.300 . 1 . . . . 28 ILE C . 10217 1 265 . 1 1 28 28 ILE CA C 13 65.093 0.300 . 1 . . . . 28 ILE CA . 10217 1 266 . 1 1 28 28 ILE CB C 13 38.473 0.300 . 1 . . . . 28 ILE CB . 10217 1 267 . 1 1 28 28 ILE CD1 C 13 13.083 0.300 . 1 . . . . 28 ILE CD1 . 10217 1 268 . 1 1 28 28 ILE CG1 C 13 29.172 0.300 . 1 . . . . 28 ILE CG1 . 10217 1 269 . 1 1 28 28 ILE CG2 C 13 17.127 0.300 . 1 . . . . 28 ILE CG2 . 10217 1 270 . 1 1 28 28 ILE N N 15 119.450 0.300 . 1 . . . . 28 ILE N . 10217 1 271 . 1 1 29 29 HIS H H 1 7.774 0.030 . 1 . . . . 29 HIS H . 10217 1 272 . 1 1 29 29 HIS HA H 1 4.210 0.030 . 1 . . . . 29 HIS HA . 10217 1 273 . 1 1 29 29 HIS HB2 H 1 2.704 0.030 . 2 . . . . 29 HIS HB2 . 10217 1 274 . 1 1 29 29 HIS HB3 H 1 3.091 0.030 . 2 . . . . 29 HIS HB3 . 10217 1 275 . 1 1 29 29 HIS HD2 H 1 7.074 0.030 . 1 . . . . 29 HIS HD2 . 10217 1 276 . 1 1 29 29 HIS HE1 H 1 7.993 0.030 . 1 . . . . 29 HIS HE1 . 10217 1 277 . 1 1 29 29 HIS C C 13 178.135 0.300 . 1 . . . . 29 HIS C . 10217 1 278 . 1 1 29 29 HIS CA C 13 59.320 0.300 . 1 . . . . 29 HIS CA . 10217 1 279 . 1 1 29 29 HIS CB C 13 28.240 0.300 . 1 . . . . 29 HIS CB . 10217 1 280 . 1 1 29 29 HIS CD2 C 13 127.834 0.300 . 1 . . . . 29 HIS CD2 . 10217 1 281 . 1 1 29 29 HIS CE1 C 13 139.360 0.300 . 1 . . . . 29 HIS CE1 . 10217 1 282 . 1 1 29 29 HIS N N 15 119.901 0.300 . 1 . . . . 29 HIS N . 10217 1 283 . 1 1 30 30 MET H H 1 8.859 0.030 . 1 . . . . 30 MET H . 10217 1 284 . 1 1 30 30 MET HA H 1 4.061 0.030 . 1 . . . . 30 MET HA . 10217 1 285 . 1 1 30 30 MET HB2 H 1 2.314 0.030 . 2 . . . . 30 MET HB2 . 10217 1 286 . 1 1 30 30 MET HB3 H 1 2.258 0.030 . 2 . . . . 30 MET HB3 . 10217 1 287 . 1 1 30 30 MET HE1 H 1 2.280 0.030 . 1 . . . . 30 MET HE . 10217 1 288 . 1 1 30 30 MET HE2 H 1 2.280 0.030 . 1 . . . . 30 MET HE . 10217 1 289 . 1 1 30 30 MET HE3 H 1 2.280 0.030 . 1 . . . . 30 MET HE . 10217 1 290 . 1 1 30 30 MET HG2 H 1 3.057 0.030 . 2 . . . . 30 MET HG2 . 10217 1 291 . 1 1 30 30 MET HG3 H 1 2.963 0.030 . 2 . . . . 30 MET HG3 . 10217 1 292 . 1 1 30 30 MET C C 13 178.435 0.300 . 1 . . . . 30 MET C . 10217 1 293 . 1 1 30 30 MET CA C 13 58.334 0.300 . 1 . . . . 30 MET CA . 10217 1 294 . 1 1 30 30 MET CB C 13 30.760 0.300 . 1 . . . . 30 MET CB . 10217 1 295 . 1 1 30 30 MET CE C 13 16.070 0.300 . 1 . . . . 30 MET CE . 10217 1 296 . 1 1 30 30 MET CG C 13 31.979 0.300 . 1 . . . . 30 MET CG . 10217 1 297 . 1 1 30 30 MET N N 15 119.643 0.300 . 1 . . . . 30 MET N . 10217 1 298 . 1 1 31 31 ARG H H 1 7.334 0.030 . 1 . . . . 31 ARG H . 10217 1 299 . 1 1 31 31 ARG HA H 1 4.214 0.030 . 1 . . . . 31 ARG HA . 10217 1 300 . 1 1 31 31 ARG HB2 H 1 1.962 0.030 . 2 . . . . 31 ARG HB2 . 10217 1 301 . 1 1 31 31 ARG HB3 H 1 1.865 0.030 . 2 . . . . 31 ARG HB3 . 10217 1 302 . 1 1 31 31 ARG HD2 H 1 3.184 0.030 . 1 . . . . 31 ARG HD2 . 10217 1 303 . 1 1 31 31 ARG HD3 H 1 3.184 0.030 . 1 . . . . 31 ARG HD3 . 10217 1 304 . 1 1 31 31 ARG HG2 H 1 1.923 0.030 . 2 . . . . 31 ARG HG2 . 10217 1 305 . 1 1 31 31 ARG HG3 H 1 1.674 0.030 . 2 . . . . 31 ARG HG3 . 10217 1 306 . 1 1 31 31 ARG C C 13 178.442 0.300 . 1 . . . . 31 ARG C . 10217 1 307 . 1 1 31 31 ARG CA C 13 58.742 0.300 . 1 . . . . 31 ARG CA . 10217 1 308 . 1 1 31 31 ARG CB C 13 29.921 0.300 . 1 . . . . 31 ARG CB . 10217 1 309 . 1 1 31 31 ARG CD C 13 43.827 0.300 . 1 . . . . 31 ARG CD . 10217 1 310 . 1 1 31 31 ARG CG C 13 27.938 0.300 . 1 . . . . 31 ARG CG . 10217 1 311 . 1 1 31 31 ARG N N 15 117.860 0.300 . 1 . . . . 31 ARG N . 10217 1 312 . 1 1 32 32 THR H H 1 7.892 0.030 . 1 . . . . 32 THR H . 10217 1 313 . 1 1 32 32 THR HA H 1 4.129 0.030 . 1 . . . . 32 THR HA . 10217 1 314 . 1 1 32 32 THR HB H 1 3.995 0.030 . 1 . . . . 32 THR HB . 10217 1 315 . 1 1 32 32 THR HG21 H 1 1.152 0.030 . 1 . . . . 32 THR HG2 . 10217 1 316 . 1 1 32 32 THR HG22 H 1 1.152 0.030 . 1 . . . . 32 THR HG2 . 10217 1 317 . 1 1 32 32 THR HG23 H 1 1.152 0.030 . 1 . . . . 32 THR HG2 . 10217 1 318 . 1 1 32 32 THR C C 13 175.441 0.300 . 1 . . . . 32 THR C . 10217 1 319 . 1 1 32 32 THR CA C 13 63.963 0.300 . 1 . . . . 32 THR CA . 10217 1 320 . 1 1 32 32 THR CB C 13 69.388 0.300 . 1 . . . . 32 THR CB . 10217 1 321 . 1 1 32 32 THR CG2 C 13 20.953 0.300 . 1 . . . . 32 THR CG2 . 10217 1 322 . 1 1 32 32 THR N N 15 109.787 0.300 . 1 . . . . 32 THR N . 10217 1 323 . 1 1 33 33 HIS H H 1 7.270 0.030 . 1 . . . . 33 HIS H . 10217 1 324 . 1 1 33 33 HIS HA H 1 4.921 0.030 . 1 . . . . 33 HIS HA . 10217 1 325 . 1 1 33 33 HIS HB2 H 1 3.166 0.030 . 2 . . . . 33 HIS HB2 . 10217 1 326 . 1 1 33 33 HIS HB3 H 1 3.359 0.030 . 2 . . . . 33 HIS HB3 . 10217 1 327 . 1 1 33 33 HIS HD2 H 1 6.783 0.030 . 1 . . . . 33 HIS HD2 . 10217 1 328 . 1 1 33 33 HIS HE1 H 1 8.008 0.030 . 1 . . . . 33 HIS HE1 . 10217 1 329 . 1 1 33 33 HIS C C 13 175.596 0.300 . 1 . . . . 33 HIS C . 10217 1 330 . 1 1 33 33 HIS CA C 13 55.469 0.300 . 1 . . . . 33 HIS CA . 10217 1 331 . 1 1 33 33 HIS CB C 13 28.877 0.300 . 1 . . . . 33 HIS CB . 10217 1 332 . 1 1 33 33 HIS CD2 C 13 127.260 0.300 . 1 . . . . 33 HIS CD2 . 10217 1 333 . 1 1 33 33 HIS CE1 C 13 139.851 0.300 . 1 . . . . 33 HIS CE1 . 10217 1 334 . 1 1 33 33 HIS N N 15 118.636 0.300 . 1 . . . . 33 HIS N . 10217 1 335 . 1 1 34 34 THR H H 1 7.842 0.030 . 1 . . . . 34 THR H . 10217 1 336 . 1 1 34 34 THR HA H 1 4.377 0.030 . 1 . . . . 34 THR HA . 10217 1 337 . 1 1 34 34 THR HB H 1 4.339 0.030 . 1 . . . . 34 THR HB . 10217 1 338 . 1 1 34 34 THR HG21 H 1 1.248 0.030 . 1 . . . . 34 THR HG2 . 10217 1 339 . 1 1 34 34 THR HG22 H 1 1.248 0.030 . 1 . . . . 34 THR HG2 . 10217 1 340 . 1 1 34 34 THR HG23 H 1 1.248 0.030 . 1 . . . . 34 THR HG2 . 10217 1 341 . 1 1 34 34 THR C C 13 175.388 0.300 . 1 . . . . 34 THR C . 10217 1 342 . 1 1 34 34 THR CA C 13 62.369 0.300 . 1 . . . . 34 THR CA . 10217 1 343 . 1 1 34 34 THR CB C 13 69.883 0.300 . 1 . . . . 34 THR CB . 10217 1 344 . 1 1 34 34 THR CG2 C 13 21.546 0.300 . 1 . . . . 34 THR CG2 . 10217 1 345 . 1 1 34 34 THR N N 15 112.003 0.300 . 1 . . . . 34 THR N . 10217 1 346 . 1 1 35 35 GLY H H 1 8.325 0.030 . 1 . . . . 35 GLY H . 10217 1 347 . 1 1 35 35 GLY HA2 H 1 4.037 0.030 . 2 . . . . 35 GLY HA2 . 10217 1 348 . 1 1 35 35 GLY HA3 H 1 3.961 0.030 . 2 . . . . 35 GLY HA3 . 10217 1 349 . 1 1 35 35 GLY C C 13 174.027 0.300 . 1 . . . . 35 GLY C . 10217 1 350 . 1 1 35 35 GLY CA C 13 45.420 0.300 . 1 . . . . 35 GLY CA . 10217 1 351 . 1 1 35 35 GLY N N 15 110.924 0.300 . 1 . . . . 35 GLY N . 10217 1 352 . 1 1 36 36 GLU H H 1 8.134 0.030 . 1 . . . . 36 GLU H . 10217 1 353 . 1 1 36 36 GLU HA H 1 4.252 0.030 . 1 . . . . 36 GLU HA . 10217 1 354 . 1 1 36 36 GLU HB2 H 1 1.997 0.030 . 2 . . . . 36 GLU HB2 . 10217 1 355 . 1 1 36 36 GLU HB3 H 1 1.920 0.030 . 2 . . . . 36 GLU HB3 . 10217 1 356 . 1 1 36 36 GLU HG2 H 1 2.278 0.030 . 2 . . . . 36 GLU HG2 . 10217 1 357 . 1 1 36 36 GLU HG3 H 1 2.224 0.030 . 2 . . . . 36 GLU HG3 . 10217 1 358 . 1 1 36 36 GLU C C 13 176.217 0.300 . 1 . . . . 36 GLU C . 10217 1 359 . 1 1 36 36 GLU CA C 13 56.529 0.300 . 1 . . . . 36 GLU CA . 10217 1 360 . 1 1 36 36 GLU CB C 13 30.526 0.300 . 1 . . . . 36 GLU CB . 10217 1 361 . 1 1 36 36 GLU CG C 13 36.286 0.300 . 1 . . . . 36 GLU CG . 10217 1 362 . 1 1 36 36 GLU N N 15 120.646 0.300 . 1 . . . . 36 GLU N . 10217 1 363 . 1 1 37 37 LYS H H 1 8.442 0.030 . 1 . . . . 37 LYS H . 10217 1 364 . 1 1 37 37 LYS HA H 1 4.624 0.030 . 1 . . . . 37 LYS HA . 10217 1 365 . 1 1 37 37 LYS HB2 H 1 1.831 0.030 . 2 . . . . 37 LYS HB2 . 10217 1 366 . 1 1 37 37 LYS HB3 H 1 1.734 0.030 . 2 . . . . 37 LYS HB3 . 10217 1 367 . 1 1 37 37 LYS HD2 H 1 1.700 0.030 . 1 . . . . 37 LYS HD2 . 10217 1 368 . 1 1 37 37 LYS HD3 H 1 1.700 0.030 . 1 . . . . 37 LYS HD3 . 10217 1 369 . 1 1 37 37 LYS HE2 H 1 2.913 0.030 . 1 . . . . 37 LYS HE2 . 10217 1 370 . 1 1 37 37 LYS HE3 H 1 2.913 0.030 . 1 . . . . 37 LYS HE3 . 10217 1 371 . 1 1 37 37 LYS HG2 H 1 1.475 0.030 . 1 . . . . 37 LYS HG2 . 10217 1 372 . 1 1 37 37 LYS HG3 H 1 1.475 0.030 . 1 . . . . 37 LYS HG3 . 10217 1 373 . 1 1 37 37 LYS C C 13 174.470 0.300 . 1 . . . . 37 LYS C . 10217 1 374 . 1 1 37 37 LYS CA C 13 54.105 0.300 . 1 . . . . 37 LYS CA . 10217 1 375 . 1 1 37 37 LYS CB C 13 32.513 0.300 . 1 . . . . 37 LYS CB . 10217 1 376 . 1 1 37 37 LYS CD C 13 29.168 0.300 . 1 . . . . 37 LYS CD . 10217 1 377 . 1 1 37 37 LYS CE C 13 42.077 0.300 . 1 . . . . 37 LYS CE . 10217 1 378 . 1 1 37 37 LYS CG C 13 24.517 0.300 . 1 . . . . 37 LYS CG . 10217 1 379 . 1 1 37 37 LYS N N 15 123.934 0.300 . 1 . . . . 37 LYS N . 10217 1 380 . 1 1 38 38 PRO HA H 1 4.472 0.030 . 1 . . . . 38 PRO HA . 10217 1 381 . 1 1 38 38 PRO HB2 H 1 2.330 0.030 . 1 . . . . 38 PRO HB2 . 10217 1 382 . 1 1 38 38 PRO HB3 H 1 2.330 0.030 . 1 . . . . 38 PRO HB3 . 10217 1 383 . 1 1 38 38 PRO HD2 H 1 3.825 0.030 . 2 . . . . 38 PRO HD2 . 10217 1 384 . 1 1 38 38 PRO HD3 H 1 3.659 0.030 . 2 . . . . 38 PRO HD3 . 10217 1 385 . 1 1 38 38 PRO HG2 H 1 2.044 0.030 . 2 . . . . 38 PRO HG2 . 10217 1 386 . 1 1 38 38 PRO HG3 H 1 2.010 0.030 . 2 . . . . 38 PRO HG3 . 10217 1 387 . 1 1 38 38 PRO C C 13 176.963 0.300 . 1 . . . . 38 PRO C . 10217 1 388 . 1 1 38 38 PRO CA C 13 63.242 0.300 . 1 . . . . 38 PRO CA . 10217 1 389 . 1 1 38 38 PRO CB C 13 32.184 0.300 . 1 . . . . 38 PRO CB . 10217 1 390 . 1 1 38 38 PRO CD C 13 50.668 0.300 . 1 . . . . 38 PRO CD . 10217 1 391 . 1 1 38 38 PRO CG C 13 27.423 0.300 . 1 . . . . 38 PRO CG . 10217 1 392 . 1 1 39 39 SER H H 1 8.479 0.030 . 1 . . . . 39 SER H . 10217 1 393 . 1 1 39 39 SER HA H 1 4.478 0.030 . 1 . . . . 39 SER HA . 10217 1 394 . 1 1 39 39 SER HB2 H 1 3.910 0.030 . 2 . . . . 39 SER HB2 . 10217 1 395 . 1 1 39 39 SER HB3 H 1 3.879 0.030 . 2 . . . . 39 SER HB3 . 10217 1 396 . 1 1 39 39 SER C C 13 174.643 0.300 . 1 . . . . 39 SER C . 10217 1 397 . 1 1 39 39 SER CA C 13 58.498 0.300 . 1 . . . . 39 SER CA . 10217 1 398 . 1 1 39 39 SER CB C 13 63.958 0.300 . 1 . . . . 39 SER CB . 10217 1 399 . 1 1 39 39 SER N N 15 116.485 0.300 . 1 . . . . 39 SER N . 10217 1 400 . 1 1 40 40 GLY H H 1 8.234 0.030 . 1 . . . . 40 GLY H . 10217 1 401 . 1 1 40 40 GLY HA2 H 1 4.173 0.030 . 2 . . . . 40 GLY HA2 . 10217 1 402 . 1 1 40 40 GLY HA3 H 1 4.122 0.030 . 2 . . . . 40 GLY HA3 . 10217 1 403 . 1 1 40 40 GLY C C 13 171.735 0.300 . 1 . . . . 40 GLY C . 10217 1 404 . 1 1 40 40 GLY CA C 13 44.655 0.300 . 1 . . . . 40 GLY CA . 10217 1 405 . 1 1 40 40 GLY N N 15 110.650 0.300 . 1 . . . . 40 GLY N . 10217 1 406 . 1 1 41 41 PRO HA H 1 4.474 0.030 . 1 . . . . 41 PRO HA . 10217 1 407 . 1 1 41 41 PRO HB2 H 1 2.318 0.030 . 1 . . . . 41 PRO HB2 . 10217 1 408 . 1 1 41 41 PRO HB3 H 1 2.318 0.030 . 1 . . . . 41 PRO HB3 . 10217 1 409 . 1 1 41 41 PRO HD2 H 1 3.641 0.030 . 1 . . . . 41 PRO HD2 . 10217 1 410 . 1 1 41 41 PRO HD3 H 1 3.641 0.030 . 1 . . . . 41 PRO HD3 . 10217 1 411 . 1 1 41 41 PRO HG2 H 1 2.030 0.030 . 1 . . . . 41 PRO HG2 . 10217 1 412 . 1 1 41 41 PRO HG3 H 1 2.030 0.030 . 1 . . . . 41 PRO HG3 . 10217 1 413 . 1 1 41 41 PRO CA C 13 63.258 0.300 . 1 . . . . 41 PRO CA . 10217 1 414 . 1 1 41 41 PRO CB C 13 32.111 0.300 . 1 . . . . 41 PRO CB . 10217 1 415 . 1 1 41 41 PRO CD C 13 49.860 0.300 . 1 . . . . 41 PRO CD . 10217 1 416 . 1 1 41 41 PRO CG C 13 27.222 0.300 . 1 . . . . 41 PRO CG . 10217 1 stop_ save_