################################### # 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 10220 _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 10220 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10220 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 4.033 0.030 . 1 . . . . 7 GLY HA2 . 10220 1 2 . 1 1 7 7 GLY HA3 H 1 4.033 0.030 . 1 . . . . 7 GLY HA3 . 10220 1 3 . 1 1 7 7 GLY C C 13 174.569 0.300 . 1 . . . . 7 GLY C . 10220 1 4 . 1 1 7 7 GLY CA C 13 45.511 0.300 . 1 . . . . 7 GLY CA . 10220 1 5 . 1 1 8 8 THR H H 1 8.149 0.030 . 1 . . . . 8 THR H . 10220 1 6 . 1 1 8 8 THR HA H 1 4.347 0.030 . 1 . . . . 8 THR HA . 10220 1 7 . 1 1 8 8 THR HB H 1 4.283 0.030 . 1 . . . . 8 THR HB . 10220 1 8 . 1 1 8 8 THR HG21 H 1 1.185 0.030 . 1 . . . . 8 THR HG2 . 10220 1 9 . 1 1 8 8 THR HG22 H 1 1.185 0.030 . 1 . . . . 8 THR HG2 . 10220 1 10 . 1 1 8 8 THR HG23 H 1 1.185 0.030 . 1 . . . . 8 THR HG2 . 10220 1 11 . 1 1 8 8 THR C C 13 175.234 0.300 . 1 . . . . 8 THR C . 10220 1 12 . 1 1 8 8 THR CA C 13 61.859 0.300 . 1 . . . . 8 THR CA . 10220 1 13 . 1 1 8 8 THR CB C 13 69.813 0.300 . 1 . . . . 8 THR CB . 10220 1 14 . 1 1 8 8 THR CG2 C 13 21.540 0.300 . 1 . . . . 8 THR CG2 . 10220 1 15 . 1 1 8 8 THR N N 15 112.732 0.300 . 1 . . . . 8 THR N . 10220 1 16 . 1 1 9 9 GLY H H 1 8.453 0.030 . 1 . . . . 9 GLY H . 10220 1 17 . 1 1 9 9 GLY HA2 H 1 3.962 0.030 . 2 . . . . 9 GLY HA2 . 10220 1 18 . 1 1 9 9 GLY HA3 H 1 3.910 0.030 . 2 . . . . 9 GLY HA3 . 10220 1 19 . 1 1 9 9 GLY C C 13 174.022 0.300 . 1 . . . . 9 GLY C . 10220 1 20 . 1 1 9 9 GLY CA C 13 45.333 0.300 . 1 . . . . 9 GLY CA . 10220 1 21 . 1 1 9 9 GLY N N 15 110.884 0.300 . 1 . . . . 9 GLY N . 10220 1 22 . 1 1 10 10 GLU H H 1 8.181 0.030 . 1 . . . . 10 GLU H . 10220 1 23 . 1 1 10 10 GLU HA H 1 4.169 0.030 . 1 . . . . 10 GLU HA . 10220 1 24 . 1 1 10 10 GLU HB2 H 1 1.961 0.030 . 2 . . . . 10 GLU HB2 . 10220 1 25 . 1 1 10 10 GLU HB3 H 1 1.882 0.030 . 2 . . . . 10 GLU HB3 . 10220 1 26 . 1 1 10 10 GLU HG2 H 1 2.194 0.030 . 1 . . . . 10 GLU HG2 . 10220 1 27 . 1 1 10 10 GLU HG3 H 1 2.194 0.030 . 1 . . . . 10 GLU HG3 . 10220 1 28 . 1 1 10 10 GLU C C 13 176.268 0.300 . 1 . . . . 10 GLU C . 10220 1 29 . 1 1 10 10 GLU CA C 13 56.763 0.300 . 1 . . . . 10 GLU CA . 10220 1 30 . 1 1 10 10 GLU CB C 13 30.508 0.300 . 1 . . . . 10 GLU CB . 10220 1 31 . 1 1 10 10 GLU CG C 13 36.256 0.300 . 1 . . . . 10 GLU CG . 10220 1 32 . 1 1 10 10 GLU N N 15 120.209 0.300 . 1 . . . . 10 GLU N . 10220 1 33 . 1 1 11 11 LYS H H 1 8.281 0.030 . 1 . . . . 11 LYS H . 10220 1 34 . 1 1 11 11 LYS HA H 1 4.497 0.030 . 1 . . . . 11 LYS HA . 10220 1 35 . 1 1 11 11 LYS HB2 H 1 1.570 0.030 . 2 . . . . 11 LYS HB2 . 10220 1 36 . 1 1 11 11 LYS HB3 H 1 1.312 0.030 . 2 . . . . 11 LYS HB3 . 10220 1 37 . 1 1 11 11 LYS HD2 H 1 1.464 0.030 . 1 . . . . 11 LYS HD2 . 10220 1 38 . 1 1 11 11 LYS HD3 H 1 1.464 0.030 . 1 . . . . 11 LYS HD3 . 10220 1 39 . 1 1 11 11 LYS HE2 H 1 2.882 0.030 . 1 . . . . 11 LYS HE2 . 10220 1 40 . 1 1 11 11 LYS HE3 H 1 2.882 0.030 . 1 . . . . 11 LYS HE3 . 10220 1 41 . 1 1 11 11 LYS HG2 H 1 1.024 0.030 . 2 . . . . 11 LYS HG2 . 10220 1 42 . 1 1 11 11 LYS HG3 H 1 1.345 0.030 . 2 . . . . 11 LYS HG3 . 10220 1 43 . 1 1 11 11 LYS C C 13 174.193 0.300 . 1 . . . . 11 LYS C . 10220 1 44 . 1 1 11 11 LYS CA C 13 53.986 0.300 . 1 . . . . 11 LYS CA . 10220 1 45 . 1 1 11 11 LYS CB C 13 33.388 0.300 . 1 . . . . 11 LYS CB . 10220 1 46 . 1 1 11 11 LYS CD C 13 29.943 0.300 . 1 . . . . 11 LYS CD . 10220 1 47 . 1 1 11 11 LYS CE C 13 42.236 0.300 . 1 . . . . 11 LYS CE . 10220 1 48 . 1 1 11 11 LYS CG C 13 25.600 0.300 . 1 . . . . 11 LYS CG . 10220 1 49 . 1 1 11 11 LYS N N 15 121.517 0.300 . 1 . . . . 11 LYS N . 10220 1 50 . 1 1 12 12 PRO HA H 1 4.228 0.030 . 1 . . . . 12 PRO HA . 10220 1 51 . 1 1 12 12 PRO HB2 H 1 1.979 0.030 . 2 . . . . 12 PRO HB2 . 10220 1 52 . 1 1 12 12 PRO HB3 H 1 1.090 0.030 . 2 . . . . 12 PRO HB3 . 10220 1 53 . 1 1 12 12 PRO HD2 H 1 3.688 0.030 . 1 . . . . 12 PRO HD2 . 10220 1 54 . 1 1 12 12 PRO HD3 H 1 3.688 0.030 . 1 . . . . 12 PRO HD3 . 10220 1 55 . 1 1 12 12 PRO HG2 H 1 1.758 0.030 . 2 . . . . 12 PRO HG2 . 10220 1 56 . 1 1 12 12 PRO HG3 H 1 1.469 0.030 . 2 . . . . 12 PRO HG3 . 10220 1 57 . 1 1 12 12 PRO C C 13 176.683 0.300 . 1 . . . . 12 PRO C . 10220 1 58 . 1 1 12 12 PRO CA C 13 63.784 0.300 . 1 . . . . 12 PRO CA . 10220 1 59 . 1 1 12 12 PRO CB C 13 32.369 0.300 . 1 . . . . 12 PRO CB . 10220 1 60 . 1 1 12 12 PRO CD C 13 50.490 0.300 . 1 . . . . 12 PRO CD . 10220 1 61 . 1 1 12 12 PRO CG C 13 26.501 0.300 . 1 . . . . 12 PRO CG . 10220 1 62 . 1 1 13 13 TYR H H 1 7.625 0.030 . 1 . . . . 13 TYR H . 10220 1 63 . 1 1 13 13 TYR HA H 1 4.660 0.030 . 1 . . . . 13 TYR HA . 10220 1 64 . 1 1 13 13 TYR HB2 H 1 2.846 0.030 . 2 . . . . 13 TYR HB2 . 10220 1 65 . 1 1 13 13 TYR HB3 H 1 2.999 0.030 . 2 . . . . 13 TYR HB3 . 10220 1 66 . 1 1 13 13 TYR HD1 H 1 6.972 0.030 . 1 . . . . 13 TYR HD1 . 10220 1 67 . 1 1 13 13 TYR HD2 H 1 6.972 0.030 . 1 . . . . 13 TYR HD2 . 10220 1 68 . 1 1 13 13 TYR HE1 H 1 6.884 0.030 . 1 . . . . 13 TYR HE1 . 10220 1 69 . 1 1 13 13 TYR HE2 H 1 6.884 0.030 . 1 . . . . 13 TYR HE2 . 10220 1 70 . 1 1 13 13 TYR C C 13 174.316 0.300 . 1 . . . . 13 TYR C . 10220 1 71 . 1 1 13 13 TYR CA C 13 57.467 0.300 . 1 . . . . 13 TYR CA . 10220 1 72 . 1 1 13 13 TYR CB C 13 38.002 0.300 . 1 . . . . 13 TYR CB . 10220 1 73 . 1 1 13 13 TYR CD1 C 13 133.206 0.300 . 1 . . . . 13 TYR CD1 . 10220 1 74 . 1 1 13 13 TYR CD2 C 13 133.206 0.300 . 1 . . . . 13 TYR CD2 . 10220 1 75 . 1 1 13 13 TYR CE1 C 13 118.524 0.300 . 1 . . . . 13 TYR CE1 . 10220 1 76 . 1 1 13 13 TYR CE2 C 13 118.524 0.300 . 1 . . . . 13 TYR CE2 . 10220 1 77 . 1 1 13 13 TYR N N 15 118.216 0.300 . 1 . . . . 13 TYR N . 10220 1 78 . 1 1 14 14 LYS H H 1 8.546 0.030 . 1 . . . . 14 LYS H . 10220 1 79 . 1 1 14 14 LYS HA H 1 4.958 0.030 . 1 . . . . 14 LYS HA . 10220 1 80 . 1 1 14 14 LYS HB2 H 1 1.616 0.030 . 1 . . . . 14 LYS HB2 . 10220 1 81 . 1 1 14 14 LYS HB3 H 1 1.616 0.030 . 1 . . . . 14 LYS HB3 . 10220 1 82 . 1 1 14 14 LYS HD2 H 1 1.593 0.030 . 1 . . . . 14 LYS HD2 . 10220 1 83 . 1 1 14 14 LYS HD3 H 1 1.593 0.030 . 1 . . . . 14 LYS HD3 . 10220 1 84 . 1 1 14 14 LYS HE2 H 1 2.945 0.030 . 1 . . . . 14 LYS HE2 . 10220 1 85 . 1 1 14 14 LYS HE3 H 1 2.945 0.030 . 1 . . . . 14 LYS HE3 . 10220 1 86 . 1 1 14 14 LYS HG2 H 1 1.190 0.030 . 2 . . . . 14 LYS HG2 . 10220 1 87 . 1 1 14 14 LYS HG3 H 1 1.162 0.030 . 2 . . . . 14 LYS HG3 . 10220 1 88 . 1 1 14 14 LYS C C 13 175.292 0.300 . 1 . . . . 14 LYS C . 10220 1 89 . 1 1 14 14 LYS CA C 13 55.108 0.300 . 1 . . . . 14 LYS CA . 10220 1 90 . 1 1 14 14 LYS CB C 13 35.439 0.300 . 1 . . . . 14 LYS CB . 10220 1 91 . 1 1 14 14 LYS CD C 13 29.424 0.300 . 1 . . . . 14 LYS CD . 10220 1 92 . 1 1 14 14 LYS CE C 13 42.121 0.300 . 1 . . . . 14 LYS CE . 10220 1 93 . 1 1 14 14 LYS CG C 13 24.905 0.300 . 1 . . . . 14 LYS CG . 10220 1 94 . 1 1 14 14 LYS N N 15 125.098 0.300 . 1 . . . . 14 LYS N . 10220 1 95 . 1 1 15 15 CYS H H 1 9.372 0.030 . 1 . . . . 15 CYS H . 10220 1 96 . 1 1 15 15 CYS HA H 1 4.607 0.030 . 1 . . . . 15 CYS HA . 10220 1 97 . 1 1 15 15 CYS HB2 H 1 2.887 0.030 . 2 . . . . 15 CYS HB2 . 10220 1 98 . 1 1 15 15 CYS HB3 H 1 3.387 0.030 . 2 . . . . 15 CYS HB3 . 10220 1 99 . 1 1 15 15 CYS C C 13 177.767 0.300 . 1 . . . . 15 CYS C . 10220 1 100 . 1 1 15 15 CYS CA C 13 59.867 0.300 . 1 . . . . 15 CYS CA . 10220 1 101 . 1 1 15 15 CYS CB C 13 29.766 0.300 . 1 . . . . 15 CYS CB . 10220 1 102 . 1 1 15 15 CYS N N 15 127.555 0.300 . 1 . . . . 15 CYS N . 10220 1 103 . 1 1 16 16 GLN H H 1 9.804 0.030 . 1 . . . . 16 GLN H . 10220 1 104 . 1 1 16 16 GLN HA H 1 4.188 0.030 . 1 . . . . 16 GLN HA . 10220 1 105 . 1 1 16 16 GLN HB2 H 1 2.296 0.030 . 2 . . . . 16 GLN HB2 . 10220 1 106 . 1 1 16 16 GLN HB3 H 1 2.128 0.030 . 2 . . . . 16 GLN HB3 . 10220 1 107 . 1 1 16 16 GLN HE21 H 1 6.946 0.030 . 2 . . . . 16 GLN HE21 . 10220 1 108 . 1 1 16 16 GLN HE22 H 1 7.524 0.030 . 2 . . . . 16 GLN HE22 . 10220 1 109 . 1 1 16 16 GLN HG2 H 1 2.554 0.030 . 1 . . . . 16 GLN HG2 . 10220 1 110 . 1 1 16 16 GLN HG3 H 1 2.554 0.030 . 1 . . . . 16 GLN HG3 . 10220 1 111 . 1 1 16 16 GLN C C 13 175.874 0.300 . 1 . . . . 16 GLN C . 10220 1 112 . 1 1 16 16 GLN CA C 13 57.670 0.300 . 1 . . . . 16 GLN CA . 10220 1 113 . 1 1 16 16 GLN CB C 13 28.775 0.300 . 1 . . . . 16 GLN CB . 10220 1 114 . 1 1 16 16 GLN CG C 13 34.121 0.300 . 1 . . . . 16 GLN CG . 10220 1 115 . 1 1 16 16 GLN N N 15 131.405 0.300 . 1 . . . . 16 GLN N . 10220 1 116 . 1 1 16 16 GLN NE2 N 15 112.659 0.300 . 1 . . . . 16 GLN NE2 . 10220 1 117 . 1 1 17 17 VAL H H 1 9.009 0.030 . 1 . . . . 17 VAL H . 10220 1 118 . 1 1 17 17 VAL HA H 1 3.779 0.030 . 1 . . . . 17 VAL HA . 10220 1 119 . 1 1 17 17 VAL HB H 1 1.232 0.030 . 1 . . . . 17 VAL HB . 10220 1 120 . 1 1 17 17 VAL HG11 H 1 0.805 0.030 . 1 . . . . 17 VAL HG1 . 10220 1 121 . 1 1 17 17 VAL HG12 H 1 0.805 0.030 . 1 . . . . 17 VAL HG1 . 10220 1 122 . 1 1 17 17 VAL HG13 H 1 0.805 0.030 . 1 . . . . 17 VAL HG1 . 10220 1 123 . 1 1 17 17 VAL HG21 H 1 0.316 0.030 . 1 . . . . 17 VAL HG2 . 10220 1 124 . 1 1 17 17 VAL HG22 H 1 0.316 0.030 . 1 . . . . 17 VAL HG2 . 10220 1 125 . 1 1 17 17 VAL HG23 H 1 0.316 0.030 . 1 . . . . 17 VAL HG2 . 10220 1 126 . 1 1 17 17 VAL C C 13 177.068 0.300 . 1 . . . . 17 VAL C . 10220 1 127 . 1 1 17 17 VAL CA C 13 65.146 0.300 . 1 . . . . 17 VAL CA . 10220 1 128 . 1 1 17 17 VAL CB C 13 32.795 0.300 . 1 . . . . 17 VAL CB . 10220 1 129 . 1 1 17 17 VAL CG1 C 13 21.226 0.300 . 2 . . . . 17 VAL CG1 . 10220 1 130 . 1 1 17 17 VAL CG2 C 13 20.258 0.300 . 2 . . . . 17 VAL CG2 . 10220 1 131 . 1 1 17 17 VAL N N 15 121.843 0.300 . 1 . . . . 17 VAL N . 10220 1 132 . 1 1 18 18 CYS H H 1 8.265 0.030 . 1 . . . . 18 CYS H . 10220 1 133 . 1 1 18 18 CYS HA H 1 5.152 0.030 . 1 . . . . 18 CYS HA . 10220 1 134 . 1 1 18 18 CYS HB2 H 1 3.486 0.030 . 2 . . . . 18 CYS HB2 . 10220 1 135 . 1 1 18 18 CYS HB3 H 1 2.805 0.030 . 2 . . . . 18 CYS HB3 . 10220 1 136 . 1 1 18 18 CYS C C 13 176.385 0.300 . 1 . . . . 18 CYS C . 10220 1 137 . 1 1 18 18 CYS CA C 13 58.209 0.300 . 1 . . . . 18 CYS CA . 10220 1 138 . 1 1 18 18 CYS CB C 13 33.029 0.300 . 1 . . . . 18 CYS CB . 10220 1 139 . 1 1 18 18 CYS N N 15 116.001 0.300 . 1 . . . . 18 CYS N . 10220 1 140 . 1 1 19 19 GLY H H 1 7.873 0.030 . 1 . . . . 19 GLY H . 10220 1 141 . 1 1 19 19 GLY HA2 H 1 4.264 0.030 . 2 . . . . 19 GLY HA2 . 10220 1 142 . 1 1 19 19 GLY HA3 H 1 3.769 0.030 . 2 . . . . 19 GLY HA3 . 10220 1 143 . 1 1 19 19 GLY C C 13 173.353 0.300 . 1 . . . . 19 GLY C . 10220 1 144 . 1 1 19 19 GLY CA C 13 46.218 0.300 . 1 . . . . 19 GLY CA . 10220 1 145 . 1 1 19 19 GLY N N 15 113.243 0.300 . 1 . . . . 19 GLY N . 10220 1 146 . 1 1 20 20 LYS H H 1 8.152 0.030 . 1 . . . . 20 LYS H . 10220 1 147 . 1 1 20 20 LYS HA H 1 3.894 0.030 . 1 . . . . 20 LYS HA . 10220 1 148 . 1 1 20 20 LYS HB2 H 1 1.575 0.030 . 2 . . . . 20 LYS HB2 . 10220 1 149 . 1 1 20 20 LYS HB3 H 1 1.107 0.030 . 2 . . . . 20 LYS HB3 . 10220 1 150 . 1 1 20 20 LYS HD2 H 1 1.357 0.030 . 2 . . . . 20 LYS HD2 . 10220 1 151 . 1 1 20 20 LYS HD3 H 1 1.538 0.030 . 2 . . . . 20 LYS HD3 . 10220 1 152 . 1 1 20 20 LYS HE2 H 1 2.921 0.030 . 2 . . . . 20 LYS HE2 . 10220 1 153 . 1 1 20 20 LYS HE3 H 1 2.754 0.030 . 2 . . . . 20 LYS HE3 . 10220 1 154 . 1 1 20 20 LYS HG2 H 1 1.120 0.030 . 2 . . . . 20 LYS HG2 . 10220 1 155 . 1 1 20 20 LYS HG3 H 1 0.841 0.030 . 2 . . . . 20 LYS HG3 . 10220 1 156 . 1 1 20 20 LYS C C 13 173.528 0.300 . 1 . . . . 20 LYS C . 10220 1 157 . 1 1 20 20 LYS CA C 13 58.349 0.300 . 1 . . . . 20 LYS CA . 10220 1 158 . 1 1 20 20 LYS CB C 13 33.384 0.300 . 1 . . . . 20 LYS CB . 10220 1 159 . 1 1 20 20 LYS CD C 13 29.206 0.300 . 1 . . . . 20 LYS CD . 10220 1 160 . 1 1 20 20 LYS CE C 13 42.150 0.300 . 1 . . . . 20 LYS CE . 10220 1 161 . 1 1 20 20 LYS CG C 13 25.788 0.300 . 1 . . . . 20 LYS CG . 10220 1 162 . 1 1 20 20 LYS N N 15 124.409 0.300 . 1 . . . . 20 LYS N . 10220 1 163 . 1 1 21 21 ALA H H 1 7.969 0.030 . 1 . . . . 21 ALA H . 10220 1 164 . 1 1 21 21 ALA HA H 1 5.197 0.030 . 1 . . . . 21 ALA HA . 10220 1 165 . 1 1 21 21 ALA HB1 H 1 1.226 0.030 . 1 . . . . 21 ALA HB . 10220 1 166 . 1 1 21 21 ALA HB2 H 1 1.226 0.030 . 1 . . . . 21 ALA HB . 10220 1 167 . 1 1 21 21 ALA HB3 H 1 1.226 0.030 . 1 . . . . 21 ALA HB . 10220 1 168 . 1 1 21 21 ALA C C 13 175.930 0.300 . 1 . . . . 21 ALA C . 10220 1 169 . 1 1 21 21 ALA CA C 13 50.190 0.300 . 1 . . . . 21 ALA CA . 10220 1 170 . 1 1 21 21 ALA CB C 13 22.551 0.300 . 1 . . . . 21 ALA CB . 10220 1 171 . 1 1 21 21 ALA N N 15 126.194 0.300 . 1 . . . . 21 ALA N . 10220 1 172 . 1 1 22 22 PHE H H 1 8.822 0.030 . 1 . . . . 22 PHE H . 10220 1 173 . 1 1 22 22 PHE HA H 1 4.845 0.030 . 1 . . . . 22 PHE HA . 10220 1 174 . 1 1 22 22 PHE HB2 H 1 2.712 0.030 . 2 . . . . 22 PHE HB2 . 10220 1 175 . 1 1 22 22 PHE HB3 H 1 3.462 0.030 . 2 . . . . 22 PHE HB3 . 10220 1 176 . 1 1 22 22 PHE HD1 H 1 7.330 0.030 . 1 . . . . 22 PHE HD1 . 10220 1 177 . 1 1 22 22 PHE HD2 H 1 7.330 0.030 . 1 . . . . 22 PHE HD2 . 10220 1 178 . 1 1 22 22 PHE HE1 H 1 6.857 0.030 . 1 . . . . 22 PHE HE1 . 10220 1 179 . 1 1 22 22 PHE HE2 H 1 6.857 0.030 . 1 . . . . 22 PHE HE2 . 10220 1 180 . 1 1 22 22 PHE HZ H 1 6.374 0.030 . 1 . . . . 22 PHE HZ . 10220 1 181 . 1 1 22 22 PHE C C 13 175.249 0.300 . 1 . . . . 22 PHE C . 10220 1 182 . 1 1 22 22 PHE CA C 13 57.103 0.300 . 1 . . . . 22 PHE CA . 10220 1 183 . 1 1 22 22 PHE CB C 13 43.663 0.300 . 1 . . . . 22 PHE CB . 10220 1 184 . 1 1 22 22 PHE CD1 C 13 132.656 0.300 . 1 . . . . 22 PHE CD1 . 10220 1 185 . 1 1 22 22 PHE CD2 C 13 132.656 0.300 . 1 . . . . 22 PHE CD2 . 10220 1 186 . 1 1 22 22 PHE CE1 C 13 130.676 0.300 . 1 . . . . 22 PHE CE1 . 10220 1 187 . 1 1 22 22 PHE CE2 C 13 130.676 0.300 . 1 . . . . 22 PHE CE2 . 10220 1 188 . 1 1 22 22 PHE CZ C 13 128.741 0.300 . 1 . . . . 22 PHE CZ . 10220 1 189 . 1 1 22 22 PHE N N 15 116.525 0.300 . 1 . . . . 22 PHE N . 10220 1 190 . 1 1 23 23 ARG H H 1 9.561 0.030 . 1 . . . . 23 ARG H . 10220 1 191 . 1 1 23 23 ARG HA H 1 4.491 0.030 . 1 . . . . 23 ARG HA . 10220 1 192 . 1 1 23 23 ARG HB2 H 1 2.088 0.030 . 2 . . . . 23 ARG HB2 . 10220 1 193 . 1 1 23 23 ARG HB3 H 1 1.995 0.030 . 2 . . . . 23 ARG HB3 . 10220 1 194 . 1 1 23 23 ARG HD2 H 1 3.345 0.030 . 2 . . . . 23 ARG HD2 . 10220 1 195 . 1 1 23 23 ARG HD3 H 1 3.307 0.030 . 2 . . . . 23 ARG HD3 . 10220 1 196 . 1 1 23 23 ARG HG2 H 1 1.862 0.030 . 2 . . . . 23 ARG HG2 . 10220 1 197 . 1 1 23 23 ARG HG3 H 1 1.815 0.030 . 2 . . . . 23 ARG HG3 . 10220 1 198 . 1 1 23 23 ARG C C 13 175.729 0.300 . 1 . . . . 23 ARG C . 10220 1 199 . 1 1 23 23 ARG CA C 13 58.561 0.300 . 1 . . . . 23 ARG CA . 10220 1 200 . 1 1 23 23 ARG CB C 13 31.997 0.300 . 1 . . . . 23 ARG CB . 10220 1 201 . 1 1 23 23 ARG CD C 13 43.205 0.300 . 1 . . . . 23 ARG CD . 10220 1 202 . 1 1 23 23 ARG CG C 13 28.776 0.300 . 1 . . . . 23 ARG CG . 10220 1 203 . 1 1 23 23 ARG N N 15 120.820 0.300 . 1 . . . . 23 ARG N . 10220 1 204 . 1 1 24 24 VAL H H 1 7.327 0.030 . 1 . . . . 24 VAL H . 10220 1 205 . 1 1 24 24 VAL HA H 1 4.446 0.030 . 1 . . . . 24 VAL HA . 10220 1 206 . 1 1 24 24 VAL HB H 1 1.452 0.030 . 1 . . . . 24 VAL HB . 10220 1 207 . 1 1 24 24 VAL HG11 H 1 0.800 0.030 . 1 . . . . 24 VAL HG1 . 10220 1 208 . 1 1 24 24 VAL HG12 H 1 0.800 0.030 . 1 . . . . 24 VAL HG1 . 10220 1 209 . 1 1 24 24 VAL HG13 H 1 0.800 0.030 . 1 . . . . 24 VAL HG1 . 10220 1 210 . 1 1 24 24 VAL HG21 H 1 0.622 0.030 . 1 . . . . 24 VAL HG2 . 10220 1 211 . 1 1 24 24 VAL HG22 H 1 0.622 0.030 . 1 . . . . 24 VAL HG2 . 10220 1 212 . 1 1 24 24 VAL HG23 H 1 0.622 0.030 . 1 . . . . 24 VAL HG2 . 10220 1 213 . 1 1 24 24 VAL C C 13 176.671 0.300 . 1 . . . . 24 VAL C . 10220 1 214 . 1 1 24 24 VAL CA C 13 59.921 0.300 . 1 . . . . 24 VAL CA . 10220 1 215 . 1 1 24 24 VAL CB C 13 34.347 0.300 . 1 . . . . 24 VAL CB . 10220 1 216 . 1 1 24 24 VAL CG1 C 13 21.872 0.300 . 2 . . . . 24 VAL CG1 . 10220 1 217 . 1 1 24 24 VAL CG2 C 13 19.771 0.300 . 2 . . . . 24 VAL CG2 . 10220 1 218 . 1 1 24 24 VAL N N 15 112.687 0.300 . 1 . . . . 24 VAL N . 10220 1 219 . 1 1 25 25 SER H H 1 8.506 0.030 . 1 . . . . 25 SER H . 10220 1 220 . 1 1 25 25 SER HA H 1 2.942 0.030 . 1 . . . . 25 SER HA . 10220 1 221 . 1 1 25 25 SER HB2 H 1 3.138 0.030 . 2 . . . . 25 SER HB2 . 10220 1 222 . 1 1 25 25 SER HB3 H 1 3.272 0.030 . 2 . . . . 25 SER HB3 . 10220 1 223 . 1 1 25 25 SER CA C 13 61.633 0.300 . 1 . . . . 25 SER CA . 10220 1 224 . 1 1 25 25 SER CB C 13 61.752 0.300 . 1 . . . . 25 SER CB . 10220 1 225 . 1 1 25 25 SER N N 15 123.315 0.300 . 1 . . . . 25 SER N . 10220 1 226 . 1 1 26 26 SER HA H 1 3.990 0.030 . 1 . . . . 26 SER HA . 10220 1 227 . 1 1 26 26 SER HB2 H 1 3.854 0.030 . 1 . . . . 26 SER HB2 . 10220 1 228 . 1 1 26 26 SER HB3 H 1 3.854 0.030 . 1 . . . . 26 SER HB3 . 10220 1 229 . 1 1 26 26 SER CA C 13 61.102 0.300 . 1 . . . . 26 SER CA . 10220 1 230 . 1 1 26 26 SER CB C 13 61.860 0.300 . 1 . . . . 26 SER CB . 10220 1 231 . 1 1 27 27 HIS H H 1 7.148 0.030 . 1 . . . . 27 HIS H . 10220 1 232 . 1 1 27 27 HIS HA H 1 4.405 0.030 . 1 . . . . 27 HIS HA . 10220 1 233 . 1 1 27 27 HIS HB2 H 1 3.267 0.030 . 2 . . . . 27 HIS HB2 . 10220 1 234 . 1 1 27 27 HIS HB3 H 1 3.085 0.030 . 2 . . . . 27 HIS HB3 . 10220 1 235 . 1 1 27 27 HIS HD2 H 1 6.970 0.030 . 1 . . . . 27 HIS HD2 . 10220 1 236 . 1 1 27 27 HIS HE1 H 1 7.894 0.030 . 1 . . . . 27 HIS HE1 . 10220 1 237 . 1 1 27 27 HIS CA C 13 56.698 0.300 . 1 . . . . 27 HIS CA . 10220 1 238 . 1 1 27 27 HIS CB C 13 30.201 0.300 . 1 . . . . 27 HIS CB . 10220 1 239 . 1 1 27 27 HIS CD2 C 13 117.376 0.300 . 1 . . . . 27 HIS CD2 . 10220 1 240 . 1 1 27 27 HIS CE1 C 13 138.336 0.300 . 1 . . . . 27 HIS CE1 . 10220 1 241 . 1 1 27 27 HIS N N 15 120.679 0.300 . 1 . . . . 27 HIS N . 10220 1 242 . 1 1 28 28 LEU H H 1 6.828 0.030 . 1 . . . . 28 LEU H . 10220 1 243 . 1 1 28 28 LEU HA H 1 3.317 0.030 . 1 . . . . 28 LEU HA . 10220 1 244 . 1 1 28 28 LEU HB2 H 1 2.011 0.030 . 2 . . . . 28 LEU HB2 . 10220 1 245 . 1 1 28 28 LEU HB3 H 1 1.198 0.030 . 2 . . . . 28 LEU HB3 . 10220 1 246 . 1 1 28 28 LEU HD11 H 1 1.006 0.030 . 1 . . . . 28 LEU HD1 . 10220 1 247 . 1 1 28 28 LEU HD12 H 1 1.006 0.030 . 1 . . . . 28 LEU HD1 . 10220 1 248 . 1 1 28 28 LEU HD13 H 1 1.006 0.030 . 1 . . . . 28 LEU HD1 . 10220 1 249 . 1 1 28 28 LEU HD21 H 1 1.047 0.030 . 1 . . . . 28 LEU HD2 . 10220 1 250 . 1 1 28 28 LEU HD22 H 1 1.047 0.030 . 1 . . . . 28 LEU HD2 . 10220 1 251 . 1 1 28 28 LEU HD23 H 1 1.047 0.030 . 1 . . . . 28 LEU HD2 . 10220 1 252 . 1 1 28 28 LEU HG H 1 1.419 0.030 . 1 . . . . 28 LEU HG . 10220 1 253 . 1 1 28 28 LEU C C 13 176.993 0.300 . 1 . . . . 28 LEU C . 10220 1 254 . 1 1 28 28 LEU CA C 13 57.560 0.300 . 1 . . . . 28 LEU CA . 10220 1 255 . 1 1 28 28 LEU CB C 13 39.868 0.300 . 1 . . . . 28 LEU CB . 10220 1 256 . 1 1 28 28 LEU CD1 C 13 22.484 0.300 . 2 . . . . 28 LEU CD1 . 10220 1 257 . 1 1 28 28 LEU CD2 C 13 26.341 0.300 . 2 . . . . 28 LEU CD2 . 10220 1 258 . 1 1 28 28 LEU CG C 13 27.422 0.300 . 1 . . . . 28 LEU CG . 10220 1 259 . 1 1 28 28 LEU N N 15 121.970 0.300 . 1 . . . . 28 LEU N . 10220 1 260 . 1 1 29 29 VAL H H 1 7.609 0.030 . 1 . . . . 29 VAL H . 10220 1 261 . 1 1 29 29 VAL HA H 1 3.462 0.030 . 1 . . . . 29 VAL HA . 10220 1 262 . 1 1 29 29 VAL HB H 1 2.000 0.030 . 1 . . . . 29 VAL HB . 10220 1 263 . 1 1 29 29 VAL HG11 H 1 0.958 0.030 . 1 . . . . 29 VAL HG1 . 10220 1 264 . 1 1 29 29 VAL HG12 H 1 0.958 0.030 . 1 . . . . 29 VAL HG1 . 10220 1 265 . 1 1 29 29 VAL HG13 H 1 0.958 0.030 . 1 . . . . 29 VAL HG1 . 10220 1 266 . 1 1 29 29 VAL HG21 H 1 0.910 0.030 . 1 . . . . 29 VAL HG2 . 10220 1 267 . 1 1 29 29 VAL HG22 H 1 0.910 0.030 . 1 . . . . 29 VAL HG2 . 10220 1 268 . 1 1 29 29 VAL HG23 H 1 0.910 0.030 . 1 . . . . 29 VAL HG2 . 10220 1 269 . 1 1 29 29 VAL C C 13 179.326 0.300 . 1 . . . . 29 VAL C . 10220 1 270 . 1 1 29 29 VAL CA C 13 66.493 0.300 . 1 . . . . 29 VAL CA . 10220 1 271 . 1 1 29 29 VAL CB C 13 31.478 0.300 . 1 . . . . 29 VAL CB . 10220 1 272 . 1 1 29 29 VAL CG1 C 13 22.490 0.300 . 2 . . . . 29 VAL CG1 . 10220 1 273 . 1 1 29 29 VAL CG2 C 13 21.051 0.300 . 2 . . . . 29 VAL CG2 . 10220 1 274 . 1 1 29 29 VAL N N 15 118.483 0.300 . 1 . . . . 29 VAL N . 10220 1 275 . 1 1 30 30 GLN H H 1 7.549 0.030 . 1 . . . . 30 GLN H . 10220 1 276 . 1 1 30 30 GLN HA H 1 4.023 0.030 . 1 . . . . 30 GLN HA . 10220 1 277 . 1 1 30 30 GLN HB2 H 1 2.042 0.030 . 1 . . . . 30 GLN HB2 . 10220 1 278 . 1 1 30 30 GLN HB3 H 1 2.042 0.030 . 1 . . . . 30 GLN HB3 . 10220 1 279 . 1 1 30 30 GLN HE21 H 1 7.396 0.030 . 2 . . . . 30 GLN HE21 . 10220 1 280 . 1 1 30 30 GLN HE22 H 1 6.831 0.030 . 2 . . . . 30 GLN HE22 . 10220 1 281 . 1 1 30 30 GLN HG2 H 1 2.449 0.030 . 2 . . . . 30 GLN HG2 . 10220 1 282 . 1 1 30 30 GLN HG3 H 1 2.406 0.030 . 2 . . . . 30 GLN HG3 . 10220 1 283 . 1 1 30 30 GLN C C 13 177.980 0.300 . 1 . . . . 30 GLN C . 10220 1 284 . 1 1 30 30 GLN CA C 13 58.484 0.300 . 1 . . . . 30 GLN CA . 10220 1 285 . 1 1 30 30 GLN CB C 13 28.527 0.300 . 1 . . . . 30 GLN CB . 10220 1 286 . 1 1 30 30 GLN CG C 13 33.837 0.300 . 1 . . . . 30 GLN CG . 10220 1 287 . 1 1 30 30 GLN N N 15 117.542 0.300 . 1 . . . . 30 GLN N . 10220 1 288 . 1 1 30 30 GLN NE2 N 15 111.737 0.300 . 1 . . . . 30 GLN NE2 . 10220 1 289 . 1 1 31 31 HIS H H 1 7.580 0.030 . 1 . . . . 31 HIS H . 10220 1 290 . 1 1 31 31 HIS HA H 1 4.246 0.030 . 1 . . . . 31 HIS HA . 10220 1 291 . 1 1 31 31 HIS HB2 H 1 3.337 0.030 . 2 . . . . 31 HIS HB2 . 10220 1 292 . 1 1 31 31 HIS HB3 H 1 2.969 0.030 . 2 . . . . 31 HIS HB3 . 10220 1 293 . 1 1 31 31 HIS HD2 H 1 7.058 0.030 . 1 . . . . 31 HIS HD2 . 10220 1 294 . 1 1 31 31 HIS HE1 H 1 8.024 0.030 . 1 . . . . 31 HIS HE1 . 10220 1 295 . 1 1 31 31 HIS C C 13 175.449 0.300 . 1 . . . . 31 HIS C . 10220 1 296 . 1 1 31 31 HIS CA C 13 58.704 0.300 . 1 . . . . 31 HIS CA . 10220 1 297 . 1 1 31 31 HIS CB C 13 28.598 0.300 . 1 . . . . 31 HIS CB . 10220 1 298 . 1 1 31 31 HIS CD2 C 13 127.382 0.300 . 1 . . . . 31 HIS CD2 . 10220 1 299 . 1 1 31 31 HIS CE1 C 13 139.712 0.300 . 1 . . . . 31 HIS CE1 . 10220 1 300 . 1 1 31 31 HIS N N 15 119.448 0.300 . 1 . . . . 31 HIS N . 10220 1 301 . 1 1 32 32 HIS H H 1 7.954 0.030 . 1 . . . . 32 HIS H . 10220 1 302 . 1 1 32 32 HIS HA H 1 4.254 0.030 . 1 . . . . 32 HIS HA . 10220 1 303 . 1 1 32 32 HIS HB2 H 1 3.366 0.030 . 2 . . . . 32 HIS HB2 . 10220 1 304 . 1 1 32 32 HIS HB3 H 1 3.205 0.030 . 2 . . . . 32 HIS HB3 . 10220 1 305 . 1 1 32 32 HIS HD2 H 1 7.263 0.030 . 1 . . . . 32 HIS HD2 . 10220 1 306 . 1 1 32 32 HIS HE1 H 1 7.893 0.030 . 1 . . . . 32 HIS HE1 . 10220 1 307 . 1 1 32 32 HIS C C 13 177.828 0.300 . 1 . . . . 32 HIS C . 10220 1 308 . 1 1 32 32 HIS CA C 13 59.496 0.300 . 1 . . . . 32 HIS CA . 10220 1 309 . 1 1 32 32 HIS CB C 13 30.445 0.300 . 1 . . . . 32 HIS CB . 10220 1 310 . 1 1 32 32 HIS CD2 C 13 120.139 0.300 . 1 . . . . 32 HIS CD2 . 10220 1 311 . 1 1 32 32 HIS CE1 C 13 138.344 0.300 . 1 . . . . 32 HIS CE1 . 10220 1 312 . 1 1 32 32 HIS N N 15 116.367 0.300 . 1 . . . . 32 HIS N . 10220 1 313 . 1 1 33 33 SER H H 1 7.525 0.030 . 1 . . . . 33 SER H . 10220 1 314 . 1 1 33 33 SER HA H 1 4.227 0.030 . 1 . . . . 33 SER HA . 10220 1 315 . 1 1 33 33 SER HB2 H 1 3.957 0.030 . 1 . . . . 33 SER HB2 . 10220 1 316 . 1 1 33 33 SER HB3 H 1 3.957 0.030 . 1 . . . . 33 SER HB3 . 10220 1 317 . 1 1 33 33 SER C C 13 176.339 0.300 . 1 . . . . 33 SER C . 10220 1 318 . 1 1 33 33 SER CA C 13 61.325 0.300 . 1 . . . . 33 SER CA . 10220 1 319 . 1 1 33 33 SER CB C 13 63.097 0.300 . 1 . . . . 33 SER CB . 10220 1 320 . 1 1 33 33 SER N N 15 113.090 0.300 . 1 . . . . 33 SER N . 10220 1 321 . 1 1 34 34 VAL H H 1 7.958 0.030 . 1 . . . . 34 VAL H . 10220 1 322 . 1 1 34 34 VAL HA H 1 3.890 0.030 . 1 . . . . 34 VAL HA . 10220 1 323 . 1 1 34 34 VAL HB H 1 1.770 0.030 . 1 . . . . 34 VAL HB . 10220 1 324 . 1 1 34 34 VAL HG11 H 1 0.626 0.030 . 1 . . . . 34 VAL HG1 . 10220 1 325 . 1 1 34 34 VAL HG12 H 1 0.626 0.030 . 1 . . . . 34 VAL HG1 . 10220 1 326 . 1 1 34 34 VAL HG13 H 1 0.626 0.030 . 1 . . . . 34 VAL HG1 . 10220 1 327 . 1 1 34 34 VAL HG21 H 1 0.429 0.030 . 1 . . . . 34 VAL HG2 . 10220 1 328 . 1 1 34 34 VAL HG22 H 1 0.429 0.030 . 1 . . . . 34 VAL HG2 . 10220 1 329 . 1 1 34 34 VAL HG23 H 1 0.429 0.030 . 1 . . . . 34 VAL HG2 . 10220 1 330 . 1 1 34 34 VAL C C 13 177.101 0.300 . 1 . . . . 34 VAL C . 10220 1 331 . 1 1 34 34 VAL CA C 13 64.137 0.300 . 1 . . . . 34 VAL CA . 10220 1 332 . 1 1 34 34 VAL CB C 13 31.047 0.300 . 1 . . . . 34 VAL CB . 10220 1 333 . 1 1 34 34 VAL CG1 C 13 20.022 0.300 . 2 . . . . 34 VAL CG1 . 10220 1 334 . 1 1 34 34 VAL CG2 C 13 19.719 0.300 . 2 . . . . 34 VAL CG2 . 10220 1 335 . 1 1 34 34 VAL N N 15 119.960 0.300 . 1 . . . . 34 VAL N . 10220 1 336 . 1 1 35 35 HIS H H 1 7.191 0.030 . 1 . . . . 35 HIS H . 10220 1 337 . 1 1 35 35 HIS HA H 1 4.945 0.030 . 1 . . . . 35 HIS HA . 10220 1 338 . 1 1 35 35 HIS HB2 H 1 3.366 0.030 . 2 . . . . 35 HIS HB2 . 10220 1 339 . 1 1 35 35 HIS HB3 H 1 3.099 0.030 . 2 . . . . 35 HIS HB3 . 10220 1 340 . 1 1 35 35 HIS HD2 H 1 6.779 0.030 . 1 . . . . 35 HIS HD2 . 10220 1 341 . 1 1 35 35 HIS HE1 H 1 8.082 0.030 . 1 . . . . 35 HIS HE1 . 10220 1 342 . 1 1 35 35 HIS C C 13 175.350 0.300 . 1 . . . . 35 HIS C . 10220 1 343 . 1 1 35 35 HIS CA C 13 54.443 0.300 . 1 . . . . 35 HIS CA . 10220 1 344 . 1 1 35 35 HIS CB C 13 28.590 0.300 . 1 . . . . 35 HIS CB . 10220 1 345 . 1 1 35 35 HIS CD2 C 13 127.609 0.300 . 1 . . . . 35 HIS CD2 . 10220 1 346 . 1 1 35 35 HIS CE1 C 13 140.324 0.300 . 1 . . . . 35 HIS CE1 . 10220 1 347 . 1 1 35 35 HIS N N 15 116.514 0.300 . 1 . . . . 35 HIS N . 10220 1 348 . 1 1 36 36 SER H H 1 7.762 0.030 . 1 . . . . 36 SER H . 10220 1 349 . 1 1 36 36 SER HA H 1 4.393 0.030 . 1 . . . . 36 SER HA . 10220 1 350 . 1 1 36 36 SER HB2 H 1 3.942 0.030 . 2 . . . . 36 SER HB2 . 10220 1 351 . 1 1 36 36 SER HB3 H 1 3.861 0.030 . 2 . . . . 36 SER HB3 . 10220 1 352 . 1 1 36 36 SER C C 13 175.126 0.300 . 1 . . . . 36 SER C . 10220 1 353 . 1 1 36 36 SER CA C 13 59.210 0.300 . 1 . . . . 36 SER CA . 10220 1 354 . 1 1 36 36 SER CB C 13 63.861 0.300 . 1 . . . . 36 SER CB . 10220 1 355 . 1 1 36 36 SER N N 15 115.134 0.300 . 1 . . . . 36 SER N . 10220 1 356 . 1 1 37 37 GLY H H 1 8.425 0.030 . 1 . . . . 37 GLY H . 10220 1 357 . 1 1 37 37 GLY HA2 H 1 3.964 0.030 . 2 . . . . 37 GLY HA2 . 10220 1 358 . 1 1 37 37 GLY HA3 H 1 3.907 0.030 . 2 . . . . 37 GLY HA3 . 10220 1 359 . 1 1 37 37 GLY C C 13 174.055 0.300 . 1 . . . . 37 GLY C . 10220 1 360 . 1 1 37 37 GLY CA C 13 45.265 0.300 . 1 . . . . 37 GLY CA . 10220 1 361 . 1 1 37 37 GLY N N 15 110.975 0.300 . 1 . . . . 37 GLY N . 10220 1 362 . 1 1 38 38 GLU H H 1 8.081 0.030 . 1 . . . . 38 GLU H . 10220 1 363 . 1 1 38 38 GLU HA H 1 4.274 0.030 . 1 . . . . 38 GLU HA . 10220 1 364 . 1 1 38 38 GLU HB2 H 1 2.018 0.030 . 2 . . . . 38 GLU HB2 . 10220 1 365 . 1 1 38 38 GLU HB3 H 1 1.924 0.030 . 2 . . . . 38 GLU HB3 . 10220 1 366 . 1 1 38 38 GLU HG2 H 1 2.260 0.030 . 2 . . . . 38 GLU HG2 . 10220 1 367 . 1 1 38 38 GLU HG3 H 1 2.225 0.030 . 2 . . . . 38 GLU HG3 . 10220 1 368 . 1 1 38 38 GLU C C 13 176.219 0.300 . 1 . . . . 38 GLU C . 10220 1 369 . 1 1 38 38 GLU CA C 13 56.377 0.300 . 1 . . . . 38 GLU CA . 10220 1 370 . 1 1 38 38 GLU CB C 13 30.527 0.300 . 1 . . . . 38 GLU CB . 10220 1 371 . 1 1 38 38 GLU CG C 13 36.342 0.300 . 1 . . . . 38 GLU CG . 10220 1 372 . 1 1 38 38 GLU N N 15 120.346 0.300 . 1 . . . . 38 GLU N . 10220 1 373 . 1 1 39 39 ARG H H 1 8.425 0.030 . 1 . . . . 39 ARG H . 10220 1 374 . 1 1 39 39 ARG HA H 1 4.625 0.030 . 1 . . . . 39 ARG HA . 10220 1 375 . 1 1 39 39 ARG HB2 H 1 1.831 0.030 . 2 . . . . 39 ARG HB2 . 10220 1 376 . 1 1 39 39 ARG HB3 H 1 1.729 0.030 . 2 . . . . 39 ARG HB3 . 10220 1 377 . 1 1 39 39 ARG HD2 H 1 3.202 0.030 . 1 . . . . 39 ARG HD2 . 10220 1 378 . 1 1 39 39 ARG HD3 H 1 3.202 0.030 . 1 . . . . 39 ARG HD3 . 10220 1 379 . 1 1 39 39 ARG HG2 H 1 1.660 0.030 . 1 . . . . 39 ARG HG2 . 10220 1 380 . 1 1 39 39 ARG HG3 H 1 1.660 0.030 . 1 . . . . 39 ARG HG3 . 10220 1 381 . 1 1 39 39 ARG C C 13 174.184 0.300 . 1 . . . . 39 ARG C . 10220 1 382 . 1 1 39 39 ARG CA C 13 53.852 0.300 . 1 . . . . 39 ARG CA . 10220 1 383 . 1 1 39 39 ARG CB C 13 30.221 0.300 . 1 . . . . 39 ARG CB . 10220 1 384 . 1 1 39 39 ARG CD C 13 43.344 0.300 . 1 . . . . 39 ARG CD . 10220 1 385 . 1 1 39 39 ARG CG C 13 26.865 0.300 . 1 . . . . 39 ARG CG . 10220 1 386 . 1 1 39 39 ARG N N 15 123.241 0.300 . 1 . . . . 39 ARG N . 10220 1 387 . 1 1 40 40 PRO HA H 1 4.466 0.030 . 1 . . . . 40 PRO HA . 10220 1 388 . 1 1 40 40 PRO HB2 H 1 2.304 0.030 . 2 . . . . 40 PRO HB2 . 10220 1 389 . 1 1 40 40 PRO HB3 H 1 1.933 0.030 . 2 . . . . 40 PRO HB3 . 10220 1 390 . 1 1 40 40 PRO HD2 H 1 3.800 0.030 . 2 . . . . 40 PRO HD2 . 10220 1 391 . 1 1 40 40 PRO HD3 H 1 3.622 0.030 . 2 . . . . 40 PRO HD3 . 10220 1 392 . 1 1 40 40 PRO HG2 H 1 2.012 0.030 . 1 . . . . 40 PRO HG2 . 10220 1 393 . 1 1 40 40 PRO HG3 H 1 2.012 0.030 . 1 . . . . 40 PRO HG3 . 10220 1 394 . 1 1 40 40 PRO CA C 13 63.232 0.300 . 1 . . . . 40 PRO CA . 10220 1 395 . 1 1 40 40 PRO CB C 13 32.199 0.300 . 1 . . . . 40 PRO CB . 10220 1 396 . 1 1 40 40 PRO CD C 13 50.684 0.300 . 1 . . . . 40 PRO CD . 10220 1 397 . 1 1 40 40 PRO CG C 13 27.343 0.300 . 1 . . . . 40 PRO CG . 10220 1 398 . 1 1 41 41 SER H H 1 8.477 0.030 . 1 . . . . 41 SER H . 10220 1 399 . 1 1 41 41 SER HA H 1 4.465 0.030 . 1 . . . . 41 SER HA . 10220 1 400 . 1 1 41 41 SER HB2 H 1 3.914 0.030 . 1 . . . . 41 SER HB2 . 10220 1 401 . 1 1 41 41 SER HB3 H 1 3.914 0.030 . 1 . . . . 41 SER HB3 . 10220 1 402 . 1 1 41 41 SER CA C 13 63.248 0.300 . 1 . . . . 41 SER CA . 10220 1 403 . 1 1 41 41 SER CB C 13 63.863 0.300 . 1 . . . . 41 SER CB . 10220 1 404 . 1 1 41 41 SER N N 15 116.446 0.300 . 1 . . . . 41 SER N . 10220 1 405 . 1 1 42 42 GLY HA2 H 1 4.150 0.030 . 2 . . . . 42 GLY HA2 . 10220 1 406 . 1 1 42 42 GLY HA3 H 1 4.111 0.030 . 2 . . . . 42 GLY HA3 . 10220 1 407 . 1 1 42 42 GLY CA C 13 44.694 0.300 . 1 . . . . 42 GLY CA . 10220 1 408 . 1 1 43 43 PRO HA H 1 4.466 0.030 . 1 . . . . 43 PRO HA . 10220 1 409 . 1 1 43 43 PRO HB2 H 1 2.304 0.030 . 1 . . . . 43 PRO HB2 . 10220 1 410 . 1 1 43 43 PRO HB3 H 1 2.304 0.030 . 1 . . . . 43 PRO HB3 . 10220 1 411 . 1 1 43 43 PRO HD2 H 1 3.622 0.030 . 1 . . . . 43 PRO HD2 . 10220 1 412 . 1 1 43 43 PRO HD3 H 1 3.622 0.030 . 1 . . . . 43 PRO HD3 . 10220 1 413 . 1 1 43 43 PRO HG2 H 1 2.010 0.030 . 1 . . . . 43 PRO HG2 . 10220 1 414 . 1 1 43 43 PRO HG3 H 1 2.010 0.030 . 1 . . . . 43 PRO HG3 . 10220 1 415 . 1 1 43 43 PRO CA C 13 63.257 0.300 . 1 . . . . 43 PRO CA . 10220 1 416 . 1 1 43 43 PRO CB C 13 32.200 0.300 . 1 . . . . 43 PRO CB . 10220 1 417 . 1 1 43 43 PRO CD C 13 49.835 0.300 . 1 . . . . 43 PRO CD . 10220 1 418 . 1 1 43 43 PRO CG C 13 27.219 0.300 . 1 . . . . 43 PRO CG . 10220 1 stop_ save_