################################### # 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 10200 _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 10200 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10200 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 HIS CA C 13 56.286 0.300 . 1 . . . . 8 HIS CA . 10200 1 2 . 1 1 8 8 HIS HA H 1 4.631 0.030 . 1 . . . . 8 HIS HA . 10200 1 3 . 1 1 8 8 HIS CB C 13 30.954 0.300 . 1 . . . . 8 HIS CB . 10200 1 4 . 1 1 8 8 HIS HB3 H 1 3.075 0.030 . 2 . . . . 8 HIS HB3 . 10200 1 5 . 1 1 8 8 HIS CD2 C 13 119.683 0.300 . 1 . . . . 8 HIS CD2 . 10200 1 6 . 1 1 8 8 HIS HD2 H 1 6.932 0.030 . 1 . . . . 8 HIS HD2 . 10200 1 7 . 1 1 8 8 HIS CE1 C 13 138.433 0.300 . 1 . . . . 8 HIS CE1 . 10200 1 8 . 1 1 8 8 HIS HE1 H 1 7.775 0.030 . 1 . . . . 8 HIS HE1 . 10200 1 9 . 1 1 8 8 HIS HB2 H 1 3.004 0.030 . 2 . . . . 8 HIS HB2 . 10200 1 10 . 1 1 9 9 THR CA C 13 61.910 0.300 . 1 . . . . 9 THR CA . 10200 1 11 . 1 1 9 9 THR HA H 1 4.231 0.030 . 1 . . . . 9 THR HA . 10200 1 12 . 1 1 9 9 THR CB C 13 69.722 0.300 . 1 . . . . 9 THR CB . 10200 1 13 . 1 1 9 9 THR HB H 1 4.100 0.030 . 1 . . . . 9 THR HB . 10200 1 14 . 1 1 9 9 THR CG2 C 13 21.541 0.300 . 1 . . . . 9 THR CG2 . 10200 1 15 . 1 1 9 9 THR HG21 H 1 1.090 0.030 . 1 . . . . 9 THR HG2 . 10200 1 16 . 1 1 9 9 THR HG22 H 1 1.090 0.030 . 1 . . . . 9 THR HG2 . 10200 1 17 . 1 1 9 9 THR HG23 H 1 1.090 0.030 . 1 . . . . 9 THR HG2 . 10200 1 18 . 1 1 9 9 THR C C 13 174.222 0.300 . 1 . . . . 9 THR C . 10200 1 19 . 1 1 10 10 ARG N N 15 124.169 0.300 . 1 . . . . 10 ARG N . 10200 1 20 . 1 1 10 10 ARG H H 1 8.328 0.030 . 1 . . . . 10 ARG H . 10200 1 21 . 1 1 10 10 ARG CA C 13 56.013 0.300 . 1 . . . . 10 ARG CA . 10200 1 22 . 1 1 10 10 ARG HA H 1 4.251 0.030 . 1 . . . . 10 ARG HA . 10200 1 23 . 1 1 10 10 ARG CB C 13 30.838 0.300 . 1 . . . . 10 ARG CB . 10200 1 24 . 1 1 10 10 ARG HB3 H 1 1.764 0.030 . 2 . . . . 10 ARG HB3 . 10200 1 25 . 1 1 10 10 ARG CG C 13 27.047 0.300 . 1 . . . . 10 ARG CG . 10200 1 26 . 1 1 10 10 ARG HG3 H 1 1.549 0.030 . 1 . . . . 10 ARG HG3 . 10200 1 27 . 1 1 10 10 ARG CD C 13 43.307 0.300 . 1 . . . . 10 ARG CD . 10200 1 28 . 1 1 10 10 ARG HD3 H 1 3.118 0.030 . 1 . . . . 10 ARG HD3 . 10200 1 29 . 1 1 10 10 ARG C C 13 175.968 0.300 . 1 . . . . 10 ARG C . 10200 1 30 . 1 1 10 10 ARG HB2 H 1 1.666 0.030 . 2 . . . . 10 ARG HB2 . 10200 1 31 . 1 1 10 10 ARG HD2 H 1 3.118 0.030 . 1 . . . . 10 ARG HD2 . 10200 1 32 . 1 1 10 10 ARG HG2 H 1 1.549 0.030 . 1 . . . . 10 ARG HG2 . 10200 1 33 . 1 1 11 11 LYS N N 15 123.653 0.300 . 1 . . . . 11 LYS N . 10200 1 34 . 1 1 11 11 LYS H H 1 8.339 0.030 . 1 . . . . 11 LYS H . 10200 1 35 . 1 1 11 11 LYS CA C 13 56.035 0.300 . 1 . . . . 11 LYS CA . 10200 1 36 . 1 1 11 11 LYS HA H 1 4.174 0.030 . 1 . . . . 11 LYS HA . 10200 1 37 . 1 1 11 11 LYS CB C 13 32.967 0.300 . 1 . . . . 11 LYS CB . 10200 1 38 . 1 1 11 11 LYS HB3 H 1 1.572 0.030 . 1 . . . . 11 LYS HB3 . 10200 1 39 . 1 1 11 11 LYS CG C 13 24.934 0.300 . 1 . . . . 11 LYS CG . 10200 1 40 . 1 1 11 11 LYS HG3 H 1 1.233 0.030 . 1 . . . . 11 LYS HG3 . 10200 1 41 . 1 1 11 11 LYS CD C 13 28.950 0.300 . 1 . . . . 11 LYS CD . 10200 1 42 . 1 1 11 11 LYS HD3 H 1 1.510 0.030 . 1 . . . . 11 LYS HD3 . 10200 1 43 . 1 1 11 11 LYS CE C 13 42.117 0.300 . 1 . . . . 11 LYS CE . 10200 1 44 . 1 1 11 11 LYS C C 13 175.763 0.300 . 1 . . . . 11 LYS C . 10200 1 45 . 1 1 11 11 LYS HB2 H 1 1.572 0.030 . 1 . . . . 11 LYS HB2 . 10200 1 46 . 1 1 11 11 LYS HD2 H 1 1.510 0.030 . 1 . . . . 11 LYS HD2 . 10200 1 47 . 1 1 11 11 LYS HE2 H 1 2.838 0.030 . 2 . . . . 11 LYS HE2 . 10200 1 48 . 1 1 11 11 LYS HG2 H 1 1.233 0.030 . 1 . . . . 11 LYS HG2 . 10200 1 49 . 1 1 12 12 ARG N N 15 120.724 0.300 . 1 . . . . 12 ARG N . 10200 1 50 . 1 1 12 12 ARG H H 1 8.016 0.030 . 1 . . . . 12 ARG H . 10200 1 51 . 1 1 12 12 ARG CA C 13 56.275 0.300 . 1 . . . . 12 ARG CA . 10200 1 52 . 1 1 12 12 ARG HA H 1 4.204 0.030 . 1 . . . . 12 ARG HA . 10200 1 53 . 1 1 12 12 ARG CB C 13 31.979 0.300 . 1 . . . . 12 ARG CB . 10200 1 54 . 1 1 12 12 ARG HB3 H 1 1.532 0.030 . 1 . . . . 12 ARG HB3 . 10200 1 55 . 1 1 12 12 ARG CG C 13 27.096 0.300 . 1 . . . . 12 ARG CG . 10200 1 56 . 1 1 12 12 ARG HG3 H 1 1.331 0.030 . 2 . . . . 12 ARG HG3 . 10200 1 57 . 1 1 12 12 ARG CD C 13 43.333 0.300 . 1 . . . . 12 ARG CD . 10200 1 58 . 1 1 12 12 ARG HD3 H 1 3.006 0.030 . 1 . . . . 12 ARG HD3 . 10200 1 59 . 1 1 12 12 ARG C C 13 175.087 0.300 . 1 . . . . 12 ARG C . 10200 1 60 . 1 1 12 12 ARG HB2 H 1 1.532 0.030 . 1 . . . . 12 ARG HB2 . 10200 1 61 . 1 1 12 12 ARG HD2 H 1 3.006 0.030 . 1 . . . . 12 ARG HD2 . 10200 1 62 . 1 1 12 12 ARG HG2 H 1 1.251 0.030 . 2 . . . . 12 ARG HG2 . 10200 1 63 . 1 1 13 13 TYR N N 15 119.605 0.300 . 1 . . . . 13 TYR N . 10200 1 64 . 1 1 13 13 TYR H H 1 8.559 0.030 . 1 . . . . 13 TYR H . 10200 1 65 . 1 1 13 13 TYR CA C 13 57.661 0.300 . 1 . . . . 13 TYR CA . 10200 1 66 . 1 1 13 13 TYR HA H 1 4.601 0.030 . 1 . . . . 13 TYR HA . 10200 1 67 . 1 1 13 13 TYR CB C 13 39.557 0.300 . 1 . . . . 13 TYR CB . 10200 1 68 . 1 1 13 13 TYR HB3 H 1 2.728 0.030 . 2 . . . . 13 TYR HB3 . 10200 1 69 . 1 1 13 13 TYR CD1 C 13 133.097 0.300 . 1 . . . . 13 TYR CD1 . 10200 1 70 . 1 1 13 13 TYR HD1 H 1 6.936 0.030 . 1 . . . . 13 TYR HD1 . 10200 1 71 . 1 1 13 13 TYR CD2 C 13 133.097 0.300 . 1 . . . . 13 TYR CD2 . 10200 1 72 . 1 1 13 13 TYR HD2 H 1 6.936 0.030 . 1 . . . . 13 TYR HD2 . 10200 1 73 . 1 1 13 13 TYR CE1 C 13 118.154 0.300 . 1 . . . . 13 TYR CE1 . 10200 1 74 . 1 1 13 13 TYR HE1 H 1 6.784 0.030 . 1 . . . . 13 TYR HE1 . 10200 1 75 . 1 1 13 13 TYR CE2 C 13 118.154 0.300 . 1 . . . . 13 TYR CE2 . 10200 1 76 . 1 1 13 13 TYR HE2 H 1 6.784 0.030 . 1 . . . . 13 TYR HE2 . 10200 1 77 . 1 1 13 13 TYR C C 13 174.706 0.300 . 1 . . . . 13 TYR C . 10200 1 78 . 1 1 13 13 TYR HB2 H 1 2.986 0.030 . 2 . . . . 13 TYR HB2 . 10200 1 79 . 1 1 14 14 GLU N N 15 123.907 0.300 . 1 . . . . 14 GLU N . 10200 1 80 . 1 1 14 14 GLU H H 1 8.787 0.030 . 1 . . . . 14 GLU H . 10200 1 81 . 1 1 14 14 GLU CA C 13 54.868 0.300 . 1 . . . . 14 GLU CA . 10200 1 82 . 1 1 14 14 GLU HA H 1 4.858 0.030 . 1 . . . . 14 GLU HA . 10200 1 83 . 1 1 14 14 GLU CB C 13 32.614 0.300 . 1 . . . . 14 GLU CB . 10200 1 84 . 1 1 14 14 GLU HB3 H 1 1.796 0.030 . 2 . . . . 14 GLU HB3 . 10200 1 85 . 1 1 14 14 GLU CG C 13 36.185 0.300 . 1 . . . . 14 GLU CG . 10200 1 86 . 1 1 14 14 GLU HG3 H 1 1.986 0.030 . 1 . . . . 14 GLU HG3 . 10200 1 87 . 1 1 14 14 GLU C C 13 175.009 0.300 . 1 . . . . 14 GLU C . 10200 1 88 . 1 1 14 14 GLU HB2 H 1 1.951 0.030 . 2 . . . . 14 GLU HB2 . 10200 1 89 . 1 1 14 14 GLU HG2 H 1 1.986 0.030 . 1 . . . . 14 GLU HG2 . 10200 1 90 . 1 1 15 15 CYS N N 15 126.801 0.300 . 1 . . . . 15 CYS N . 10200 1 91 . 1 1 15 15 CYS H H 1 8.846 0.030 . 1 . . . . 15 CYS H . 10200 1 92 . 1 1 15 15 CYS CA C 13 59.805 0.300 . 1 . . . . 15 CYS CA . 10200 1 93 . 1 1 15 15 CYS HA H 1 4.477 0.030 . 1 . . . . 15 CYS HA . 10200 1 94 . 1 1 15 15 CYS CB C 13 29.783 0.300 . 1 . . . . 15 CYS CB . 10200 1 95 . 1 1 15 15 CYS HB3 H 1 3.345 0.030 . 2 . . . . 15 CYS HB3 . 10200 1 96 . 1 1 15 15 CYS C C 13 176.142 0.300 . 1 . . . . 15 CYS C . 10200 1 97 . 1 1 15 15 CYS HB2 H 1 2.735 0.030 . 2 . . . . 15 CYS HB2 . 10200 1 98 . 1 1 16 16 SER CA C 13 60.236 0.300 . 1 . . . . 16 SER CA . 10200 1 99 . 1 1 16 16 SER HA H 1 4.429 0.030 . 1 . . . . 16 SER HA . 10200 1 100 . 1 1 16 16 SER CB C 13 63.380 0.300 . 1 . . . . 16 SER CB . 10200 1 101 . 1 1 16 16 SER HB3 H 1 3.972 0.030 . 2 . . . . 16 SER HB3 . 10200 1 102 . 1 1 16 16 SER C C 13 174.975 0.300 . 1 . . . . 16 SER C . 10200 1 103 . 1 1 16 16 SER HB2 H 1 4.025 0.030 . 2 . . . . 16 SER HB2 . 10200 1 104 . 1 1 17 17 LYS N N 15 123.704 0.300 . 1 . . . . 17 LYS N . 10200 1 105 . 1 1 17 17 LYS H H 1 9.085 0.030 . 1 . . . . 17 LYS H . 10200 1 106 . 1 1 17 17 LYS CA C 13 56.964 0.300 . 1 . . . . 17 LYS CA . 10200 1 107 . 1 1 17 17 LYS HA H 1 4.309 0.030 . 1 . . . . 17 LYS HA . 10200 1 108 . 1 1 17 17 LYS CB C 13 33.110 0.300 . 1 . . . . 17 LYS CB . 10200 1 109 . 1 1 17 17 LYS HB3 H 1 0.896 0.030 . 2 . . . . 17 LYS HB3 . 10200 1 110 . 1 1 17 17 LYS CG C 13 25.032 0.300 . 1 . . . . 17 LYS CG . 10200 1 111 . 1 1 17 17 LYS HG3 H 1 1.145 0.030 . 2 . . . . 17 LYS HG3 . 10200 1 112 . 1 1 17 17 LYS CD C 13 28.549 0.300 . 1 . . . . 17 LYS CD . 10200 1 113 . 1 1 17 17 LYS HD3 H 1 1.299 0.030 . 1 . . . . 17 LYS HD3 . 10200 1 114 . 1 1 17 17 LYS CE C 13 42.174 0.300 . 1 . . . . 17 LYS CE . 10200 1 115 . 1 1 17 17 LYS HE3 H 1 2.837 0.030 . 1 . . . . 17 LYS HE3 . 10200 1 116 . 1 1 17 17 LYS C C 13 176.454 0.300 . 1 . . . . 17 LYS C . 10200 1 117 . 1 1 17 17 LYS HB2 H 1 1.223 0.030 . 2 . . . . 17 LYS HB2 . 10200 1 118 . 1 1 17 17 LYS HD2 H 1 1.299 0.030 . 1 . . . . 17 LYS HD2 . 10200 1 119 . 1 1 17 17 LYS HE2 H 1 2.837 0.030 . 1 . . . . 17 LYS HE2 . 10200 1 120 . 1 1 17 17 LYS HG2 H 1 1.065 0.030 . 2 . . . . 17 LYS HG2 . 10200 1 121 . 1 1 18 18 CYS N N 15 117.611 0.300 . 1 . . . . 18 CYS N . 10200 1 122 . 1 1 18 18 CYS H H 1 7.842 0.030 . 1 . . . . 18 CYS H . 10200 1 123 . 1 1 18 18 CYS CA C 13 58.533 0.300 . 1 . . . . 18 CYS CA . 10200 1 124 . 1 1 18 18 CYS HA H 1 4.959 0.030 . 1 . . . . 18 CYS HA . 10200 1 125 . 1 1 18 18 CYS CB C 13 31.098 0.300 . 1 . . . . 18 CYS CB . 10200 1 126 . 1 1 18 18 CYS HB3 H 1 2.932 0.030 . 2 . . . . 18 CYS HB3 . 10200 1 127 . 1 1 18 18 CYS C C 13 174.286 0.300 . 1 . . . . 18 CYS C . 10200 1 128 . 1 1 18 18 CYS HB2 H 1 3.351 0.030 . 2 . . . . 18 CYS HB2 . 10200 1 129 . 1 1 19 19 GLN N N 15 115.380 0.300 . 1 . . . . 19 GLN N . 10200 1 130 . 1 1 19 19 GLN H H 1 8.099 0.030 . 1 . . . . 19 GLN H . 10200 1 131 . 1 1 19 19 GLN CA C 13 58.073 0.300 . 1 . . . . 19 GLN CA . 10200 1 132 . 1 1 19 19 GLN HA H 1 4.196 0.030 . 1 . . . . 19 GLN HA . 10200 1 133 . 1 1 19 19 GLN CB C 13 27.004 0.300 . 1 . . . . 19 GLN CB . 10200 1 134 . 1 1 19 19 GLN HB3 H 1 2.236 0.030 . 1 . . . . 19 GLN HB3 . 10200 1 135 . 1 1 19 19 GLN CG C 13 34.992 0.300 . 1 . . . . 19 GLN CG . 10200 1 136 . 1 1 19 19 GLN HG3 H 1 2.270 0.030 . 1 . . . . 19 GLN HG3 . 10200 1 137 . 1 1 19 19 GLN NE2 N 15 112.709 0.300 . 1 . . . . 19 GLN NE2 . 10200 1 138 . 1 1 19 19 GLN HE21 H 1 6.560 0.030 . 2 . . . . 19 GLN HE21 . 10200 1 139 . 1 1 19 19 GLN HE22 H 1 7.491 0.030 . 2 . . . . 19 GLN HE22 . 10200 1 140 . 1 1 19 19 GLN C C 13 175.057 0.300 . 1 . . . . 19 GLN C . 10200 1 141 . 1 1 19 19 GLN HB2 H 1 2.236 0.030 . 1 . . . . 19 GLN HB2 . 10200 1 142 . 1 1 19 19 GLN HG2 H 1 2.270 0.030 . 1 . . . . 19 GLN HG2 . 10200 1 143 . 1 1 20 20 ALA N N 15 125.831 0.300 . 1 . . . . 20 ALA N . 10200 1 144 . 1 1 20 20 ALA H H 1 8.504 0.030 . 1 . . . . 20 ALA H . 10200 1 145 . 1 1 20 20 ALA CA C 13 53.802 0.300 . 1 . . . . 20 ALA CA . 10200 1 146 . 1 1 20 20 ALA HA H 1 4.022 0.030 . 1 . . . . 20 ALA HA . 10200 1 147 . 1 1 20 20 ALA CB C 13 19.769 0.300 . 1 . . . . 20 ALA CB . 10200 1 148 . 1 1 20 20 ALA HB1 H 1 0.904 0.030 . 1 . . . . 20 ALA HB . 10200 1 149 . 1 1 20 20 ALA HB2 H 1 0.904 0.030 . 1 . . . . 20 ALA HB . 10200 1 150 . 1 1 20 20 ALA HB3 H 1 0.904 0.030 . 1 . . . . 20 ALA HB . 10200 1 151 . 1 1 20 20 ALA C C 13 176.208 0.300 . 1 . . . . 20 ALA C . 10200 1 152 . 1 1 21 21 THR N N 15 110.430 0.300 . 1 . . . . 21 THR N . 10200 1 153 . 1 1 21 21 THR H H 1 7.487 0.030 . 1 . . . . 21 THR H . 10200 1 154 . 1 1 21 21 THR CA C 13 59.643 0.300 . 1 . . . . 21 THR CA . 10200 1 155 . 1 1 21 21 THR HA H 1 5.057 0.030 . 1 . . . . 21 THR HA . 10200 1 156 . 1 1 21 21 THR CB C 13 71.992 0.300 . 1 . . . . 21 THR CB . 10200 1 157 . 1 1 21 21 THR HB H 1 3.796 0.030 . 1 . . . . 21 THR HB . 10200 1 158 . 1 1 21 21 THR CG2 C 13 21.670 0.300 . 1 . . . . 21 THR CG2 . 10200 1 159 . 1 1 21 21 THR HG21 H 1 1.045 0.030 . 1 . . . . 21 THR HG2 . 10200 1 160 . 1 1 21 21 THR HG22 H 1 1.045 0.030 . 1 . . . . 21 THR HG2 . 10200 1 161 . 1 1 21 21 THR HG23 H 1 1.045 0.030 . 1 . . . . 21 THR HG2 . 10200 1 162 . 1 1 21 21 THR C C 13 172.921 0.300 . 1 . . . . 21 THR C . 10200 1 163 . 1 1 22 22 PHE N N 15 117.143 0.300 . 1 . . . . 22 PHE N . 10200 1 164 . 1 1 22 22 PHE H H 1 8.666 0.030 . 1 . . . . 22 PHE H . 10200 1 165 . 1 1 22 22 PHE CA C 13 57.117 0.300 . 1 . . . . 22 PHE CA . 10200 1 166 . 1 1 22 22 PHE HA H 1 4.827 0.030 . 1 . . . . 22 PHE HA . 10200 1 167 . 1 1 22 22 PHE CB C 13 44.378 0.300 . 1 . . . . 22 PHE CB . 10200 1 168 . 1 1 22 22 PHE HB3 H 1 3.556 0.030 . 2 . . . . 22 PHE HB3 . 10200 1 169 . 1 1 22 22 PHE CD1 C 13 132.354 0.300 . 1 . . . . 22 PHE CD1 . 10200 1 170 . 1 1 22 22 PHE HD1 H 1 7.135 0.030 . 1 . . . . 22 PHE HD1 . 10200 1 171 . 1 1 22 22 PHE CD2 C 13 132.354 0.300 . 1 . . . . 22 PHE CD2 . 10200 1 172 . 1 1 22 22 PHE HD2 H 1 7.135 0.030 . 1 . . . . 22 PHE HD2 . 10200 1 173 . 1 1 22 22 PHE CE1 C 13 130.705 0.300 . 1 . . . . 22 PHE CE1 . 10200 1 174 . 1 1 22 22 PHE HE1 H 1 6.798 0.030 . 1 . . . . 22 PHE HE1 . 10200 1 175 . 1 1 22 22 PHE CE2 C 13 130.705 0.300 . 1 . . . . 22 PHE CE2 . 10200 1 176 . 1 1 22 22 PHE HE2 H 1 6.798 0.030 . 1 . . . . 22 PHE HE2 . 10200 1 177 . 1 1 22 22 PHE CZ C 13 129.518 0.300 . 1 . . . . 22 PHE CZ . 10200 1 178 . 1 1 22 22 PHE HZ H 1 6.293 0.030 . 1 . . . . 22 PHE HZ . 10200 1 179 . 1 1 22 22 PHE C C 13 174.912 0.300 . 1 . . . . 22 PHE C . 10200 1 180 . 1 1 22 22 PHE HB2 H 1 2.532 0.030 . 2 . . . . 22 PHE HB2 . 10200 1 181 . 1 1 23 23 ASN CA C 13 54.423 0.300 . 1 . . . . 23 ASN CA . 10200 1 182 . 1 1 23 23 ASN HA H 1 5.038 0.030 . 1 . . . . 23 ASN HA . 10200 1 183 . 1 1 23 23 ASN CB C 13 39.624 0.300 . 1 . . . . 23 ASN CB . 10200 1 184 . 1 1 23 23 ASN HB3 H 1 2.917 0.030 . 1 . . . . 23 ASN HB3 . 10200 1 185 . 1 1 23 23 ASN ND2 N 15 113.236 0.300 . 1 . . . . 23 ASN ND2 . 10200 1 186 . 1 1 23 23 ASN HD21 H 1 7.053 0.030 . 2 . . . . 23 ASN HD21 . 10200 1 187 . 1 1 23 23 ASN HD22 H 1 7.707 0.030 . 2 . . . . 23 ASN HD22 . 10200 1 188 . 1 1 23 23 ASN C C 13 174.719 0.300 . 1 . . . . 23 ASN C . 10200 1 189 . 1 1 23 23 ASN HB2 H 1 2.917 0.030 . 1 . . . . 23 ASN HB2 . 10200 1 190 . 1 1 24 24 LEU N N 15 116.814 0.300 . 1 . . . . 24 LEU N . 10200 1 191 . 1 1 24 24 LEU H H 1 7.520 0.030 . 1 . . . . 24 LEU H . 10200 1 192 . 1 1 24 24 LEU CA C 13 53.161 0.300 . 1 . . . . 24 LEU CA . 10200 1 193 . 1 1 24 24 LEU HA H 1 4.774 0.030 . 1 . . . . 24 LEU HA . 10200 1 194 . 1 1 24 24 LEU CB C 13 44.687 0.300 . 1 . . . . 24 LEU CB . 10200 1 195 . 1 1 24 24 LEU HB3 H 1 1.115 0.030 . 2 . . . . 24 LEU HB3 . 10200 1 196 . 1 1 24 24 LEU CG C 13 26.946 0.300 . 1 . . . . 24 LEU CG . 10200 1 197 . 1 1 24 24 LEU HG H 1 1.522 0.030 . 1 . . . . 24 LEU HG . 10200 1 198 . 1 1 24 24 LEU CD1 C 13 25.193 0.300 . 2 . . . . 24 LEU CD1 . 10200 1 199 . 1 1 24 24 LEU HD11 H 1 0.709 0.030 . 1 . . . . 24 LEU HD1 . 10200 1 200 . 1 1 24 24 LEU HD12 H 1 0.709 0.030 . 1 . . . . 24 LEU HD1 . 10200 1 201 . 1 1 24 24 LEU HD13 H 1 0.709 0.030 . 1 . . . . 24 LEU HD1 . 10200 1 202 . 1 1 24 24 LEU CD2 C 13 23.389 0.300 . 2 . . . . 24 LEU CD2 . 10200 1 203 . 1 1 24 24 LEU HD21 H 1 0.836 0.030 . 1 . . . . 24 LEU HD2 . 10200 1 204 . 1 1 24 24 LEU HD22 H 1 0.836 0.030 . 1 . . . . 24 LEU HD2 . 10200 1 205 . 1 1 24 24 LEU HD23 H 1 0.836 0.030 . 1 . . . . 24 LEU HD2 . 10200 1 206 . 1 1 24 24 LEU C C 13 177.051 0.300 . 1 . . . . 24 LEU C . 10200 1 207 . 1 1 24 24 LEU HB2 H 1 1.284 0.030 . 2 . . . . 24 LEU HB2 . 10200 1 208 . 1 1 25 25 ARG N N 15 127.581 0.300 . 1 . . . . 25 ARG N . 10200 1 209 . 1 1 25 25 ARG H H 1 8.517 0.030 . 1 . . . . 25 ARG H . 10200 1 210 . 1 1 25 25 ARG CA C 13 59.593 0.300 . 1 . . . . 25 ARG CA . 10200 1 211 . 1 1 25 25 ARG HA H 1 2.822 0.030 . 1 . . . . 25 ARG HA . 10200 1 212 . 1 1 25 25 ARG CB C 13 29.135 0.300 . 1 . . . . 25 ARG CB . 10200 1 213 . 1 1 25 25 ARG HB3 H 1 1.045 0.030 . 2 . . . . 25 ARG HB3 . 10200 1 214 . 1 1 25 25 ARG CG C 13 27.668 0.300 . 1 . . . . 25 ARG CG . 10200 1 215 . 1 1 25 25 ARG HG3 H 1 1.114 0.030 . 2 . . . . 25 ARG HG3 . 10200 1 216 . 1 1 25 25 ARG CD C 13 43.114 0.300 . 1 . . . . 25 ARG CD . 10200 1 217 . 1 1 25 25 ARG HD3 H 1 3.012 0.030 . 1 . . . . 25 ARG HD3 . 10200 1 218 . 1 1 25 25 ARG C C 13 178.315 0.300 . 1 . . . . 25 ARG C . 10200 1 219 . 1 1 25 25 ARG HB2 H 1 1.426 0.030 . 2 . . . . 25 ARG HB2 . 10200 1 220 . 1 1 25 25 ARG HD2 H 1 3.012 0.030 . 1 . . . . 25 ARG HD2 . 10200 1 221 . 1 1 25 25 ARG HG2 H 1 1.264 0.030 . 2 . . . . 25 ARG HG2 . 10200 1 222 . 1 1 26 26 LYS N N 15 115.815 0.300 . 1 . . . . 26 LYS N . 10200 1 223 . 1 1 26 26 LYS H H 1 8.495 0.030 . 1 . . . . 26 LYS H . 10200 1 224 . 1 1 26 26 LYS CA C 13 59.134 0.300 . 1 . . . . 26 LYS CA . 10200 1 225 . 1 1 26 26 LYS HA H 1 3.842 0.030 . 1 . . . . 26 LYS HA . 10200 1 226 . 1 1 26 26 LYS CB C 13 31.632 0.300 . 1 . . . . 26 LYS CB . 10200 1 227 . 1 1 26 26 LYS HB3 H 1 1.482 0.030 . 2 . . . . 26 LYS HB3 . 10200 1 228 . 1 1 26 26 LYS CG C 13 24.112 0.300 . 1 . . . . 26 LYS CG . 10200 1 229 . 1 1 26 26 LYS HG3 H 1 1.030 0.030 . 2 . . . . 26 LYS HG3 . 10200 1 230 . 1 1 26 26 LYS CD C 13 29.404 0.300 . 1 . . . . 26 LYS CD . 10200 1 231 . 1 1 26 26 LYS HD3 H 1 1.508 0.030 . 1 . . . . 26 LYS HD3 . 10200 1 232 . 1 1 26 26 LYS CE C 13 41.901 0.300 . 1 . . . . 26 LYS CE . 10200 1 233 . 1 1 26 26 LYS HE3 H 1 2.768 0.030 . 1 . . . . 26 LYS HE3 . 10200 1 234 . 1 1 26 26 LYS C C 13 178.251 0.300 . 1 . . . . 26 LYS C . 10200 1 235 . 1 1 26 26 LYS HB2 H 1 1.735 0.030 . 2 . . . . 26 LYS HB2 . 10200 1 236 . 1 1 26 26 LYS HD2 H 1 1.508 0.030 . 1 . . . . 26 LYS HD2 . 10200 1 237 . 1 1 26 26 LYS HE2 H 1 2.768 0.030 . 1 . . . . 26 LYS HE2 . 10200 1 238 . 1 1 26 26 LYS HG2 H 1 1.061 0.030 . 2 . . . . 26 LYS HG2 . 10200 1 239 . 1 1 27 27 HIS N N 15 117.633 0.300 . 1 . . . . 27 HIS N . 10200 1 240 . 1 1 27 27 HIS H H 1 6.643 0.030 . 1 . . . . 27 HIS H . 10200 1 241 . 1 1 27 27 HIS CA C 13 56.893 0.300 . 1 . . . . 27 HIS CA . 10200 1 242 . 1 1 27 27 HIS HA H 1 4.395 0.030 . 1 . . . . 27 HIS HA . 10200 1 243 . 1 1 27 27 HIS CB C 13 31.346 0.300 . 1 . . . . 27 HIS CB . 10200 1 244 . 1 1 27 27 HIS HB3 H 1 3.077 0.030 . 2 . . . . 27 HIS HB3 . 10200 1 245 . 1 1 27 27 HIS CD2 C 13 116.323 0.300 . 1 . . . . 27 HIS CD2 . 10200 1 246 . 1 1 27 27 HIS HD2 H 1 6.902 0.030 . 1 . . . . 27 HIS HD2 . 10200 1 247 . 1 1 27 27 HIS CE1 C 13 139.158 0.300 . 1 . . . . 27 HIS CE1 . 10200 1 248 . 1 1 27 27 HIS HE1 H 1 7.812 0.030 . 1 . . . . 27 HIS HE1 . 10200 1 249 . 1 1 27 27 HIS C C 13 178.052 0.300 . 1 . . . . 27 HIS C . 10200 1 250 . 1 1 27 27 HIS HB2 H 1 3.244 0.030 . 2 . . . . 27 HIS HB2 . 10200 1 251 . 1 1 28 28 LEU N N 15 122.685 0.300 . 1 . . . . 28 LEU N . 10200 1 252 . 1 1 28 28 LEU H H 1 6.932 0.030 . 1 . . . . 28 LEU H . 10200 1 253 . 1 1 28 28 LEU CA C 13 57.937 0.300 . 1 . . . . 28 LEU CA . 10200 1 254 . 1 1 28 28 LEU HA H 1 3.236 0.030 . 1 . . . . 28 LEU HA . 10200 1 255 . 1 1 28 28 LEU CB C 13 40.257 0.300 . 1 . . . . 28 LEU CB . 10200 1 256 . 1 1 28 28 LEU HB3 H 1 1.170 0.030 . 2 . . . . 28 LEU HB3 . 10200 1 257 . 1 1 28 28 LEU CG C 13 27.469 0.300 . 1 . . . . 28 LEU CG . 10200 1 258 . 1 1 28 28 LEU HG H 1 1.457 0.030 . 1 . . . . 28 LEU HG . 10200 1 259 . 1 1 28 28 LEU CD1 C 13 26.339 0.300 . 2 . . . . 28 LEU CD1 . 10200 1 260 . 1 1 28 28 LEU HD11 H 1 0.970 0.030 . 1 . . . . 28 LEU HD1 . 10200 1 261 . 1 1 28 28 LEU HD12 H 1 0.970 0.030 . 1 . . . . 28 LEU HD1 . 10200 1 262 . 1 1 28 28 LEU HD13 H 1 0.970 0.030 . 1 . . . . 28 LEU HD1 . 10200 1 263 . 1 1 28 28 LEU CD2 C 13 22.628 0.300 . 2 . . . . 28 LEU CD2 . 10200 1 264 . 1 1 28 28 LEU HD21 H 1 0.962 0.030 . 1 . . . . 28 LEU HD2 . 10200 1 265 . 1 1 28 28 LEU HD22 H 1 0.962 0.030 . 1 . . . . 28 LEU HD2 . 10200 1 266 . 1 1 28 28 LEU HD23 H 1 0.962 0.030 . 1 . . . . 28 LEU HD2 . 10200 1 267 . 1 1 28 28 LEU C C 13 177.710 0.300 . 1 . . . . 28 LEU C . 10200 1 268 . 1 1 28 28 LEU HB2 H 1 1.984 0.030 . 2 . . . . 28 LEU HB2 . 10200 1 269 . 1 1 29 29 ILE N N 15 119.595 0.300 . 1 . . . . 29 ILE N . 10200 1 270 . 1 1 29 29 ILE H H 1 8.045 0.030 . 1 . . . . 29 ILE H . 10200 1 271 . 1 1 29 29 ILE CA C 13 64.337 0.300 . 1 . . . . 29 ILE CA . 10200 1 272 . 1 1 29 29 ILE HA H 1 3.654 0.030 . 1 . . . . 29 ILE HA . 10200 1 273 . 1 1 29 29 ILE CB C 13 37.272 0.300 . 1 . . . . 29 ILE CB . 10200 1 274 . 1 1 29 29 ILE HB H 1 1.735 0.030 . 1 . . . . 29 ILE HB . 10200 1 275 . 1 1 29 29 ILE CG1 C 13 28.480 0.300 . 1 . . . . 29 ILE CG1 . 10200 1 276 . 1 1 29 29 ILE HG13 H 1 1.411 0.030 . 2 . . . . 29 ILE HG13 . 10200 1 277 . 1 1 29 29 ILE CG2 C 13 17.061 0.300 . 1 . . . . 29 ILE CG2 . 10200 1 278 . 1 1 29 29 ILE HG21 H 1 0.813 0.030 . 1 . . . . 29 ILE HG2 . 10200 1 279 . 1 1 29 29 ILE HG22 H 1 0.813 0.030 . 1 . . . . 29 ILE HG2 . 10200 1 280 . 1 1 29 29 ILE HG23 H 1 0.813 0.030 . 1 . . . . 29 ILE HG2 . 10200 1 281 . 1 1 29 29 ILE CD1 C 13 11.885 0.300 . 1 . . . . 29 ILE CD1 . 10200 1 282 . 1 1 29 29 ILE HD11 H 1 0.664 0.030 . 1 . . . . 29 ILE HD1 . 10200 1 283 . 1 1 29 29 ILE HD12 H 1 0.664 0.030 . 1 . . . . 29 ILE HD1 . 10200 1 284 . 1 1 29 29 ILE HD13 H 1 0.664 0.030 . 1 . . . . 29 ILE HD1 . 10200 1 285 . 1 1 29 29 ILE C C 13 179.315 0.300 . 1 . . . . 29 ILE C . 10200 1 286 . 1 1 29 29 ILE HG12 H 1 1.160 0.030 . 2 . . . . 29 ILE HG12 . 10200 1 287 . 1 1 30 30 GLN N N 15 118.156 0.300 . 1 . . . . 30 GLN N . 10200 1 288 . 1 1 30 30 GLN H H 1 7.507 0.030 . 1 . . . . 30 GLN H . 10200 1 289 . 1 1 30 30 GLN CA C 13 58.708 0.300 . 1 . . . . 30 GLN CA . 10200 1 290 . 1 1 30 30 GLN HA H 1 3.924 0.030 . 1 . . . . 30 GLN HA . 10200 1 291 . 1 1 30 30 GLN CB C 13 28.351 0.300 . 1 . . . . 30 GLN CB . 10200 1 292 . 1 1 30 30 GLN HB3 H 1 1.977 0.030 . 2 . . . . 30 GLN HB3 . 10200 1 293 . 1 1 30 30 GLN CG C 13 33.423 0.300 . 1 . . . . 30 GLN CG . 10200 1 294 . 1 1 30 30 GLN HG3 H 1 2.394 0.030 . 1 . . . . 30 GLN HG3 . 10200 1 295 . 1 1 30 30 GLN NE2 N 15 112.015 0.300 . 1 . . . . 30 GLN NE2 . 10200 1 296 . 1 1 30 30 GLN HE21 H 1 6.890 0.030 . 2 . . . . 30 GLN HE21 . 10200 1 297 . 1 1 30 30 GLN HE22 H 1 7.450 0.030 . 2 . . . . 30 GLN HE22 . 10200 1 298 . 1 1 30 30 GLN C C 13 178.602 0.300 . 1 . . . . 30 GLN C . 10200 1 299 . 1 1 30 30 GLN HB2 H 1 2.044 0.030 . 2 . . . . 30 GLN HB2 . 10200 1 300 . 1 1 30 30 GLN HG2 H 1 2.394 0.030 . 1 . . . . 30 GLN HG2 . 10200 1 301 . 1 1 31 31 HIS N N 15 118.789 0.300 . 1 . . . . 31 HIS N . 10200 1 302 . 1 1 31 31 HIS H H 1 7.691 0.030 . 1 . . . . 31 HIS H . 10200 1 303 . 1 1 31 31 HIS CA C 13 59.054 0.300 . 1 . . . . 31 HIS CA . 10200 1 304 . 1 1 31 31 HIS HA H 1 4.208 0.030 . 1 . . . . 31 HIS HA . 10200 1 305 . 1 1 31 31 HIS CB C 13 28.726 0.300 . 1 . . . . 31 HIS CB . 10200 1 306 . 1 1 31 31 HIS HB3 H 1 2.880 0.030 . 2 . . . . 31 HIS HB3 . 10200 1 307 . 1 1 31 31 HIS CD2 C 13 126.957 0.300 . 1 . . . . 31 HIS CD2 . 10200 1 308 . 1 1 31 31 HIS HD2 H 1 6.968 0.030 . 1 . . . . 31 HIS HD2 . 10200 1 309 . 1 1 31 31 HIS CE1 C 13 139.795 0.300 . 1 . . . . 31 HIS CE1 . 10200 1 310 . 1 1 31 31 HIS HE1 H 1 7.845 0.030 . 1 . . . . 31 HIS HE1 . 10200 1 311 . 1 1 31 31 HIS C C 13 177.945 0.300 . 1 . . . . 31 HIS C . 10200 1 312 . 1 1 31 31 HIS HB2 H 1 3.113 0.030 . 2 . . . . 31 HIS HB2 . 10200 1 313 . 1 1 32 32 GLN N N 15 119.822 0.300 . 1 . . . . 32 GLN N . 10200 1 314 . 1 1 32 32 GLN H H 1 8.680 0.030 . 1 . . . . 32 GLN H . 10200 1 315 . 1 1 32 32 GLN CA C 13 59.589 0.300 . 1 . . . . 32 GLN CA . 10200 1 316 . 1 1 32 32 GLN HA H 1 3.710 0.030 . 1 . . . . 32 GLN HA . 10200 1 317 . 1 1 32 32 GLN CB C 13 27.916 0.300 . 1 . . . . 32 GLN CB . 10200 1 318 . 1 1 32 32 GLN HB3 H 1 2.127 0.030 . 2 . . . . 32 GLN HB3 . 10200 1 319 . 1 1 32 32 GLN CG C 13 35.027 0.300 . 1 . . . . 32 GLN CG . 10200 1 320 . 1 1 32 32 GLN HG3 H 1 2.755 0.030 . 1 . . . . 32 GLN HG3 . 10200 1 321 . 1 1 32 32 GLN NE2 N 15 111.696 0.300 . 1 . . . . 32 GLN NE2 . 10200 1 322 . 1 1 32 32 GLN HE21 H 1 7.398 0.030 . 2 . . . . 32 GLN HE21 . 10200 1 323 . 1 1 32 32 GLN HE22 H 1 6.983 0.030 . 2 . . . . 32 GLN HE22 . 10200 1 324 . 1 1 32 32 GLN C C 13 178.170 0.300 . 1 . . . . 32 GLN C . 10200 1 325 . 1 1 32 32 GLN HB2 H 1 2.304 0.030 . 2 . . . . 32 GLN HB2 . 10200 1 326 . 1 1 32 32 GLN HG2 H 1 2.755 0.030 . 1 . . . . 32 GLN HG2 . 10200 1 327 . 1 1 33 33 LYS N N 15 118.224 0.300 . 1 . . . . 33 LYS N . 10200 1 328 . 1 1 33 33 LYS H H 1 7.248 0.030 . 1 . . . . 33 LYS H . 10200 1 329 . 1 1 33 33 LYS CA C 13 58.912 0.300 . 1 . . . . 33 LYS CA . 10200 1 330 . 1 1 33 33 LYS HA H 1 4.050 0.030 . 1 . . . . 33 LYS HA . 10200 1 331 . 1 1 33 33 LYS CB C 13 32.160 0.300 . 1 . . . . 33 LYS CB . 10200 1 332 . 1 1 33 33 LYS HB3 H 1 1.819 0.030 . 2 . . . . 33 LYS HB3 . 10200 1 333 . 1 1 33 33 LYS CG C 13 25.282 0.300 . 1 . . . . 33 LYS CG . 10200 1 334 . 1 1 33 33 LYS HG3 H 1 1.599 0.030 . 2 . . . . 33 LYS HG3 . 10200 1 335 . 1 1 33 33 LYS CD C 13 29.211 0.300 . 1 . . . . 33 LYS CD . 10200 1 336 . 1 1 33 33 LYS HD3 H 1 1.631 0.030 . 1 . . . . 33 LYS HD3 . 10200 1 337 . 1 1 33 33 LYS CE C 13 42.199 0.300 . 1 . . . . 33 LYS CE . 10200 1 338 . 1 1 33 33 LYS C C 13 178.506 0.300 . 1 . . . . 33 LYS C . 10200 1 339 . 1 1 33 33 LYS HB2 H 1 1.865 0.030 . 2 . . . . 33 LYS HB2 . 10200 1 340 . 1 1 33 33 LYS HD2 H 1 1.631 0.030 . 1 . . . . 33 LYS HD2 . 10200 1 341 . 1 1 33 33 LYS HE2 H 1 2.881 0.030 . 2 . . . . 33 LYS HE2 . 10200 1 342 . 1 1 33 33 LYS HG2 H 1 1.426 0.030 . 2 . . . . 33 LYS HG2 . 10200 1 343 . 1 1 34 34 THR N N 15 109.843 0.300 . 1 . . . . 34 THR N . 10200 1 344 . 1 1 34 34 THR H H 1 7.690 0.030 . 1 . . . . 34 THR H . 10200 1 345 . 1 1 34 34 THR CA C 13 63.891 0.300 . 1 . . . . 34 THR CA . 10200 1 346 . 1 1 34 34 THR HA H 1 4.047 0.030 . 1 . . . . 34 THR HA . 10200 1 347 . 1 1 34 34 THR CB C 13 69.205 0.300 . 1 . . . . 34 THR CB . 10200 1 348 . 1 1 34 34 THR HB H 1 3.940 0.030 . 1 . . . . 34 THR HB . 10200 1 349 . 1 1 34 34 THR CG2 C 13 20.813 0.300 . 1 . . . . 34 THR CG2 . 10200 1 350 . 1 1 34 34 THR HG21 H 1 1.073 0.030 . 1 . . . . 34 THR HG2 . 10200 1 351 . 1 1 34 34 THR HG22 H 1 1.073 0.030 . 1 . . . . 34 THR HG2 . 10200 1 352 . 1 1 34 34 THR HG23 H 1 1.073 0.030 . 1 . . . . 34 THR HG2 . 10200 1 353 . 1 1 34 34 THR C C 13 175.352 0.300 . 1 . . . . 34 THR C . 10200 1 354 . 1 1 35 35 HIS N N 15 117.905 0.300 . 1 . . . . 35 HIS N . 10200 1 355 . 1 1 35 35 HIS H H 1 6.998 0.030 . 1 . . . . 35 HIS H . 10200 1 356 . 1 1 35 35 HIS CA C 13 55.067 0.300 . 1 . . . . 35 HIS CA . 10200 1 357 . 1 1 35 35 HIS HA H 1 4.763 0.030 . 1 . . . . 35 HIS HA . 10200 1 358 . 1 1 35 35 HIS CB C 13 28.672 0.300 . 1 . . . . 35 HIS CB . 10200 1 359 . 1 1 35 35 HIS HB3 H 1 3.054 0.030 . 2 . . . . 35 HIS HB3 . 10200 1 360 . 1 1 35 35 HIS CD2 C 13 126.957 0.300 . 1 . . . . 35 HIS CD2 . 10200 1 361 . 1 1 35 35 HIS HD2 H 1 6.524 0.030 . 1 . . . . 35 HIS HD2 . 10200 1 362 . 1 1 35 35 HIS CE1 C 13 140.127 0.300 . 1 . . . . 35 HIS CE1 . 10200 1 363 . 1 1 35 35 HIS HE1 H 1 7.938 0.030 . 1 . . . . 35 HIS HE1 . 10200 1 364 . 1 1 35 35 HIS C C 13 174.592 0.300 . 1 . . . . 35 HIS C . 10200 1 365 . 1 1 35 35 HIS HB2 H 1 3.191 0.030 . 2 . . . . 35 HIS HB2 . 10200 1 366 . 1 1 36 36 ALA N N 15 123.690 0.300 . 1 . . . . 36 ALA N . 10200 1 367 . 1 1 36 36 ALA H H 1 7.542 0.030 . 1 . . . . 36 ALA H . 10200 1 368 . 1 1 36 36 ALA CA C 13 52.507 0.300 . 1 . . . . 36 ALA CA . 10200 1 369 . 1 1 36 36 ALA HA H 1 4.247 0.030 . 1 . . . . 36 ALA HA . 10200 1 370 . 1 1 36 36 ALA CB C 13 19.368 0.300 . 1 . . . . 36 ALA CB . 10200 1 371 . 1 1 36 36 ALA HB1 H 1 1.371 0.030 . 1 . . . . 36 ALA HB . 10200 1 372 . 1 1 36 36 ALA HB2 H 1 1.371 0.030 . 1 . . . . 36 ALA HB . 10200 1 373 . 1 1 36 36 ALA HB3 H 1 1.371 0.030 . 1 . . . . 36 ALA HB . 10200 1 374 . 1 1 36 36 ALA C C 13 177.263 0.300 . 1 . . . . 36 ALA C . 10200 1 375 . 1 1 37 37 ALA N N 15 123.646 0.300 . 1 . . . . 37 ALA N . 10200 1 376 . 1 1 37 37 ALA H H 1 8.194 0.030 . 1 . . . . 37 ALA H . 10200 1 377 . 1 1 37 37 ALA CA C 13 52.517 0.300 . 1 . . . . 37 ALA CA . 10200 1 378 . 1 1 37 37 ALA HA H 1 4.244 0.030 . 1 . . . . 37 ALA HA . 10200 1 379 . 1 1 37 37 ALA CB C 13 19.181 0.300 . 1 . . . . 37 ALA CB . 10200 1 380 . 1 1 37 37 ALA HB1 H 1 1.345 0.030 . 1 . . . . 37 ALA HB . 10200 1 381 . 1 1 37 37 ALA HB2 H 1 1.345 0.030 . 1 . . . . 37 ALA HB . 10200 1 382 . 1 1 37 37 ALA HB3 H 1 1.345 0.030 . 1 . . . . 37 ALA HB . 10200 1 383 . 1 1 37 37 ALA C C 13 177.787 0.300 . 1 . . . . 37 ALA C . 10200 1 384 . 1 1 38 38 LYS N N 15 120.872 0.300 . 1 . . . . 38 LYS N . 10200 1 385 . 1 1 38 38 LYS H H 1 8.304 0.030 . 1 . . . . 38 LYS H . 10200 1 386 . 1 1 38 38 LYS CA C 13 56.161 0.300 . 1 . . . . 38 LYS CA . 10200 1 387 . 1 1 38 38 LYS HA H 1 4.304 0.030 . 1 . . . . 38 LYS HA . 10200 1 388 . 1 1 38 38 LYS CB C 13 33.014 0.300 . 1 . . . . 38 LYS CB . 10200 1 389 . 1 1 38 38 LYS HB3 H 1 1.722 0.030 . 2 . . . . 38 LYS HB3 . 10200 1 390 . 1 1 38 38 LYS CG C 13 24.660 0.300 . 1 . . . . 38 LYS CG . 10200 1 391 . 1 1 38 38 LYS HG3 H 1 1.411 0.030 . 1 . . . . 38 LYS HG3 . 10200 1 392 . 1 1 38 38 LYS CD C 13 29.016 0.300 . 1 . . . . 38 LYS CD . 10200 1 393 . 1 1 38 38 LYS HD3 H 1 1.632 0.030 . 1 . . . . 38 LYS HD3 . 10200 1 394 . 1 1 38 38 LYS CE C 13 42.140 0.300 . 1 . . . . 38 LYS CE . 10200 1 395 . 1 1 38 38 LYS HE3 H 1 2.948 0.030 . 1 . . . . 38 LYS HE3 . 10200 1 396 . 1 1 38 38 LYS C C 13 176.530 0.300 . 1 . . . . 38 LYS C . 10200 1 397 . 1 1 38 38 LYS HB2 H 1 1.817 0.030 . 2 . . . . 38 LYS HB2 . 10200 1 398 . 1 1 38 38 LYS HD2 H 1 1.632 0.030 . 1 . . . . 38 LYS HD2 . 10200 1 399 . 1 1 38 38 LYS HE2 H 1 2.948 0.030 . 1 . . . . 38 LYS HE2 . 10200 1 400 . 1 1 38 38 LYS HG2 H 1 1.411 0.030 . 1 . . . . 38 LYS HG2 . 10200 1 401 . 1 1 40 40 GLY CA C 13 44.610 0.300 . 1 . . . . 40 GLY CA . 10200 1 402 . 1 1 40 40 GLY HA3 H 1 4.091 0.030 . 1 . . . . 40 GLY HA3 . 10200 1 403 . 1 1 40 40 GLY HA2 H 1 4.091 0.030 . 1 . . . . 40 GLY HA2 . 10200 1 404 . 1 1 41 41 PRO CA C 13 63.260 0.300 . 1 . . . . 41 PRO CA . 10200 1 405 . 1 1 41 41 PRO HA H 1 4.424 0.030 . 1 . . . . 41 PRO HA . 10200 1 406 . 1 1 41 41 PRO CB C 13 32.165 0.300 . 1 . . . . 41 PRO CB . 10200 1 407 . 1 1 41 41 PRO HB3 H 1 2.243 0.030 . 2 . . . . 41 PRO HB3 . 10200 1 408 . 1 1 41 41 PRO CG C 13 27.097 0.300 . 1 . . . . 41 PRO CG . 10200 1 409 . 1 1 41 41 PRO HG3 H 1 1.968 0.030 . 1 . . . . 41 PRO HG3 . 10200 1 410 . 1 1 41 41 PRO CD C 13 49.750 0.300 . 1 . . . . 41 PRO CD . 10200 1 411 . 1 1 41 41 PRO HD3 H 1 3.578 0.030 . 1 . . . . 41 PRO HD3 . 10200 1 412 . 1 1 41 41 PRO HB2 H 1 1.925 0.030 . 2 . . . . 41 PRO HB2 . 10200 1 413 . 1 1 41 41 PRO HD2 H 1 3.578 0.030 . 1 . . . . 41 PRO HD2 . 10200 1 414 . 1 1 41 41 PRO HG2 H 1 1.968 0.030 . 1 . . . . 41 PRO HG2 . 10200 1 415 . 1 1 43 43 SER CA C 13 58.325 0.300 . 1 . . . . 43 SER CA . 10200 1 416 . 1 1 43 43 SER HA H 1 4.444 0.030 . 1 . . . . 43 SER HA . 10200 1 417 . 1 1 43 43 SER CB C 13 64.067 0.300 . 1 . . . . 43 SER CB . 10200 1 418 . 1 1 43 43 SER HB3 H 1 3.814 0.030 . 2 . . . . 43 SER HB3 . 10200 1 419 . 1 1 43 43 SER C C 13 173.889 0.300 . 1 . . . . 43 SER C . 10200 1 420 . 1 1 43 43 SER HB2 H 1 3.857 0.030 . 2 . . . . 43 SER HB2 . 10200 1 421 . 1 1 44 44 GLY N N 15 116.837 0.300 . 1 . . . . 44 GLY N . 10200 1 422 . 1 1 44 44 GLY H H 1 8.022 0.030 . 1 . . . . 44 GLY H . 10200 1 423 . 1 1 44 44 GLY CA C 13 46.190 0.300 . 1 . . . . 44 GLY CA . 10200 1 424 . 1 1 44 44 GLY HA3 H 1 3.747 0.030 . 2 . . . . 44 GLY HA3 . 10200 1 425 . 1 1 44 44 GLY C C 13 178.974 0.300 . 1 . . . . 44 GLY C . 10200 1 426 . 1 1 44 44 GLY HA2 H 1 3.693 0.030 . 2 . . . . 44 GLY HA2 . 10200 1 stop_ save_