################################### # 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 11384 _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 15N-separated NOESY' 1 $sample_1 isotropic 11384 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11384 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11384 1 2 $NMRPipe . . 11384 1 3 $NMRView . . 11384 1 4 $Kujira . . 11384 1 5 $CYANA . . 11384 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 C C 13 174.568 0.300 . 1 . . . . 7 GLY C . 11384 1 2 . 1 1 7 7 GLY CA C 13 45.644 0.300 . 1 . . . . 7 GLY CA . 11384 1 3 . 1 1 8 8 THR H H 1 8.159 0.030 . 1 . . . . 8 THR H . 11384 1 4 . 1 1 8 8 THR HA H 1 4.402 0.030 . 1 . . . . 8 THR HA . 11384 1 5 . 1 1 8 8 THR HB H 1 4.332 0.030 . 1 . . . . 8 THR HB . 11384 1 6 . 1 1 8 8 THR HG21 H 1 1.234 0.030 . 1 . . . . 8 THR HG2 . 11384 1 7 . 1 1 8 8 THR HG22 H 1 1.234 0.030 . 1 . . . . 8 THR HG2 . 11384 1 8 . 1 1 8 8 THR HG23 H 1 1.234 0.030 . 1 . . . . 8 THR HG2 . 11384 1 9 . 1 1 8 8 THR C C 13 175.252 0.300 . 1 . . . . 8 THR C . 11384 1 10 . 1 1 8 8 THR CA C 13 61.962 0.300 . 1 . . . . 8 THR CA . 11384 1 11 . 1 1 8 8 THR CB C 13 69.862 0.300 . 1 . . . . 8 THR CB . 11384 1 12 . 1 1 8 8 THR CG2 C 13 21.576 0.300 . 1 . . . . 8 THR CG2 . 11384 1 13 . 1 1 8 8 THR N N 15 112.807 0.300 . 1 . . . . 8 THR N . 11384 1 14 . 1 1 9 9 GLY H H 1 8.445 0.030 . 1 . . . . 9 GLY H . 11384 1 15 . 1 1 9 9 GLY HA2 H 1 3.980 0.030 . 1 . . . . 9 GLY HA2 . 11384 1 16 . 1 1 9 9 GLY HA3 H 1 3.980 0.030 . 1 . . . . 9 GLY HA3 . 11384 1 17 . 1 1 9 9 GLY C C 13 173.962 0.300 . 1 . . . . 9 GLY C . 11384 1 18 . 1 1 9 9 GLY CA C 13 45.252 0.300 . 1 . . . . 9 GLY CA . 11384 1 19 . 1 1 9 9 GLY N N 15 111.101 0.300 . 1 . . . . 9 GLY N . 11384 1 20 . 1 1 10 10 GLU H H 1 8.165 0.030 . 1 . . . . 10 GLU H . 11384 1 21 . 1 1 10 10 GLU HA H 1 4.233 0.030 . 1 . . . . 10 GLU HA . 11384 1 22 . 1 1 10 10 GLU HB2 H 1 2.006 0.030 . 2 . . . . 10 GLU HB2 . 11384 1 23 . 1 1 10 10 GLU HB3 H 1 1.897 0.030 . 2 . . . . 10 GLU HB3 . 11384 1 24 . 1 1 10 10 GLU HG2 H 1 2.244 0.030 . 1 . . . . 10 GLU HG2 . 11384 1 25 . 1 1 10 10 GLU HG3 H 1 2.244 0.030 . 1 . . . . 10 GLU HG3 . 11384 1 26 . 1 1 10 10 GLU C C 13 176.245 0.300 . 1 . . . . 10 GLU C . 11384 1 27 . 1 1 10 10 GLU CA C 13 56.532 0.300 . 1 . . . . 10 GLU CA . 11384 1 28 . 1 1 10 10 GLU CB C 13 30.590 0.300 . 1 . . . . 10 GLU CB . 11384 1 29 . 1 1 10 10 GLU CG C 13 36.275 0.300 . 1 . . . . 10 GLU CG . 11384 1 30 . 1 1 10 10 GLU N N 15 120.542 0.300 . 1 . . . . 10 GLU N . 11384 1 31 . 1 1 11 11 LYS H H 1 8.331 0.030 . 1 . . . . 11 LYS H . 11384 1 32 . 1 1 11 11 LYS HA H 1 4.534 0.030 . 1 . . . . 11 LYS HA . 11384 1 33 . 1 1 11 11 LYS HB2 H 1 1.620 0.030 . 2 . . . . 11 LYS HB2 . 11384 1 34 . 1 1 11 11 LYS HB3 H 1 1.578 0.030 . 2 . . . . 11 LYS HB3 . 11384 1 35 . 1 1 11 11 LYS HD2 H 1 1.624 0.030 . 2 . . . . 11 LYS HD2 . 11384 1 36 . 1 1 11 11 LYS HE2 H 1 2.972 0.030 . 2 . . . . 11 LYS HE2 . 11384 1 37 . 1 1 11 11 LYS HG2 H 1 1.359 0.030 . 2 . . . . 11 LYS HG2 . 11384 1 38 . 1 1 11 11 LYS HG3 H 1 1.403 0.030 . 2 . . . . 11 LYS HG3 . 11384 1 39 . 1 1 11 11 LYS C C 13 174.088 0.300 . 1 . . . . 11 LYS C . 11384 1 40 . 1 1 11 11 LYS CA C 13 54.109 0.300 . 1 . . . . 11 LYS CA . 11384 1 41 . 1 1 11 11 LYS CB C 13 32.796 0.300 . 1 . . . . 11 LYS CB . 11384 1 42 . 1 1 11 11 LYS CD C 13 29.251 0.300 . 1 . . . . 11 LYS CD . 11384 1 43 . 1 1 11 11 LYS CE C 13 42.160 0.300 . 1 . . . . 11 LYS CE . 11384 1 44 . 1 1 11 11 LYS CG C 13 24.924 0.300 . 1 . . . . 11 LYS CG . 11384 1 45 . 1 1 11 11 LYS N N 15 122.789 0.300 . 1 . . . . 11 LYS N . 11384 1 46 . 1 1 12 12 PRO HA H 1 4.512 0.030 . 1 . . . . 12 PRO HA . 11384 1 47 . 1 1 12 12 PRO HB2 H 1 2.257 0.030 . 2 . . . . 12 PRO HB2 . 11384 1 48 . 1 1 12 12 PRO HB3 H 1 1.945 0.030 . 2 . . . . 12 PRO HB3 . 11384 1 49 . 1 1 12 12 PRO HD2 H 1 3.741 0.030 . 2 . . . . 12 PRO HD2 . 11384 1 50 . 1 1 12 12 PRO HD3 H 1 3.685 0.030 . 2 . . . . 12 PRO HD3 . 11384 1 51 . 1 1 12 12 PRO HG2 H 1 2.004 0.030 . 2 . . . . 12 PRO HG2 . 11384 1 52 . 1 1 12 12 PRO C C 13 176.924 0.300 . 1 . . . . 12 PRO C . 11384 1 53 . 1 1 12 12 PRO CA C 13 63.748 0.300 . 1 . . . . 12 PRO CA . 11384 1 54 . 1 1 12 12 PRO CB C 13 32.748 0.300 . 1 . . . . 12 PRO CB . 11384 1 55 . 1 1 12 12 PRO CD C 13 50.620 0.300 . 1 . . . . 12 PRO CD . 11384 1 56 . 1 1 12 12 PRO CG C 13 27.213 0.300 . 1 . . . . 12 PRO CG . 11384 1 57 . 1 1 13 13 CYS H H 1 8.270 0.030 . 1 . . . . 13 CYS H . 11384 1 58 . 1 1 13 13 CYS HA H 1 4.729 0.030 . 1 . . . . 13 CYS HA . 11384 1 59 . 1 1 13 13 CYS HB2 H 1 2.946 0.030 . 2 . . . . 13 CYS HB2 . 11384 1 60 . 1 1 13 13 CYS HB3 H 1 2.857 0.030 . 2 . . . . 13 CYS HB3 . 11384 1 61 . 1 1 13 13 CYS C C 13 173.573 0.300 . 1 . . . . 13 CYS C . 11384 1 62 . 1 1 13 13 CYS CA C 13 57.347 0.300 . 1 . . . . 13 CYS CA . 11384 1 63 . 1 1 13 13 CYS CB C 13 28.773 0.300 . 1 . . . . 13 CYS CB . 11384 1 64 . 1 1 13 13 CYS N N 15 119.250 0.300 . 1 . . . . 13 CYS N . 11384 1 65 . 1 1 14 14 LYS H H 1 8.443 0.030 . 1 . . . . 14 LYS H . 11384 1 66 . 1 1 14 14 LYS HA H 1 4.983 0.030 . 1 . . . . 14 LYS HA . 11384 1 67 . 1 1 14 14 LYS HB2 H 1 1.629 0.030 . 1 . . . . 14 LYS HB2 . 11384 1 68 . 1 1 14 14 LYS HB3 H 1 1.629 0.030 . 1 . . . . 14 LYS HB3 . 11384 1 69 . 1 1 14 14 LYS HD2 H 1 1.611 0.030 . 1 . . . . 14 LYS HD2 . 11384 1 70 . 1 1 14 14 LYS HD3 H 1 1.611 0.030 . 1 . . . . 14 LYS HD3 . 11384 1 71 . 1 1 14 14 LYS HE2 H 1 2.962 0.030 . 2 . . . . 14 LYS HE2 . 11384 1 72 . 1 1 14 14 LYS HG2 H 1 1.200 0.030 . 1 . . . . 14 LYS HG2 . 11384 1 73 . 1 1 14 14 LYS HG3 H 1 1.200 0.030 . 1 . . . . 14 LYS HG3 . 11384 1 74 . 1 1 14 14 LYS C C 13 174.977 0.300 . 1 . . . . 14 LYS C . 11384 1 75 . 1 1 14 14 LYS CA C 13 55.314 0.300 . 1 . . . . 14 LYS CA . 11384 1 76 . 1 1 14 14 LYS CB C 13 35.500 0.300 . 1 . . . . 14 LYS CB . 11384 1 77 . 1 1 14 14 LYS CD C 13 29.430 0.300 . 1 . . . . 14 LYS CD . 11384 1 78 . 1 1 14 14 LYS CE C 13 42.068 0.300 . 1 . . . . 14 LYS CE . 11384 1 79 . 1 1 14 14 LYS CG C 13 24.823 0.300 . 1 . . . . 14 LYS CG . 11384 1 80 . 1 1 14 14 LYS N N 15 123.888 0.300 . 1 . . . . 14 LYS N . 11384 1 81 . 1 1 15 15 CYS H H 1 9.193 0.030 . 1 . . . . 15 CYS H . 11384 1 82 . 1 1 15 15 CYS HA H 1 4.656 0.030 . 1 . . . . 15 CYS HA . 11384 1 83 . 1 1 15 15 CYS HB2 H 1 2.911 0.030 . 2 . . . . 15 CYS HB2 . 11384 1 84 . 1 1 15 15 CYS HB3 H 1 3.450 0.030 . 2 . . . . 15 CYS HB3 . 11384 1 85 . 1 1 15 15 CYS C C 13 177.805 0.300 . 1 . . . . 15 CYS C . 11384 1 86 . 1 1 15 15 CYS CA C 13 59.487 0.300 . 1 . . . . 15 CYS CA . 11384 1 87 . 1 1 15 15 CYS CB C 13 29.875 0.300 . 1 . . . . 15 CYS CB . 11384 1 88 . 1 1 15 15 CYS N N 15 126.258 0.300 . 1 . . . . 15 CYS N . 11384 1 89 . 1 1 16 16 THR H H 1 9.020 0.030 . 1 . . . . 16 THR H . 11384 1 90 . 1 1 16 16 THR HA H 1 4.130 0.030 . 1 . . . . 16 THR HA . 11384 1 91 . 1 1 16 16 THR HB H 1 4.408 0.030 . 1 . . . . 16 THR HB . 11384 1 92 . 1 1 16 16 THR HG21 H 1 1.379 0.030 . 1 . . . . 16 THR HG2 . 11384 1 93 . 1 1 16 16 THR HG22 H 1 1.379 0.030 . 1 . . . . 16 THR HG2 . 11384 1 94 . 1 1 16 16 THR HG23 H 1 1.379 0.030 . 1 . . . . 16 THR HG2 . 11384 1 95 . 1 1 16 16 THR C C 13 174.935 0.300 . 1 . . . . 16 THR C . 11384 1 96 . 1 1 16 16 THR CA C 13 64.548 0.300 . 1 . . . . 16 THR CA . 11384 1 97 . 1 1 16 16 THR CB C 13 68.668 0.300 . 1 . . . . 16 THR CB . 11384 1 98 . 1 1 16 16 THR CG2 C 13 22.300 0.300 . 1 . . . . 16 THR CG2 . 11384 1 99 . 1 1 16 16 THR N N 15 124.313 0.300 . 1 . . . . 16 THR N . 11384 1 100 . 1 1 17 17 GLU H H 1 8.754 0.030 . 1 . . . . 17 GLU H . 11384 1 101 . 1 1 17 17 GLU HA H 1 4.278 0.030 . 1 . . . . 17 GLU HA . 11384 1 102 . 1 1 17 17 GLU HB2 H 1 1.467 0.030 . 1 . . . . 17 GLU HB2 . 11384 1 103 . 1 1 17 17 GLU HB3 H 1 1.467 0.030 . 1 . . . . 17 GLU HB3 . 11384 1 104 . 1 1 17 17 GLU HG2 H 1 1.935 0.030 . 2 . . . . 17 GLU HG2 . 11384 1 105 . 1 1 17 17 GLU HG3 H 1 1.821 0.030 . 2 . . . . 17 GLU HG3 . 11384 1 106 . 1 1 17 17 GLU C C 13 177.142 0.300 . 1 . . . . 17 GLU C . 11384 1 107 . 1 1 17 17 GLU CA C 13 58.312 0.300 . 1 . . . . 17 GLU CA . 11384 1 108 . 1 1 17 17 GLU CB C 13 29.786 0.300 . 1 . . . . 17 GLU CB . 11384 1 109 . 1 1 17 17 GLU CG C 13 35.783 0.300 . 1 . . . . 17 GLU CG . 11384 1 110 . 1 1 17 17 GLU N N 15 123.352 0.300 . 1 . . . . 17 GLU N . 11384 1 111 . 1 1 18 18 CYS H H 1 7.992 0.030 . 1 . . . . 18 CYS H . 11384 1 112 . 1 1 18 18 CYS HA H 1 5.196 0.030 . 1 . . . . 18 CYS HA . 11384 1 113 . 1 1 18 18 CYS HB2 H 1 3.466 0.030 . 2 . . . . 18 CYS HB2 . 11384 1 114 . 1 1 18 18 CYS HB3 H 1 2.892 0.030 . 2 . . . . 18 CYS HB3 . 11384 1 115 . 1 1 18 18 CYS C C 13 176.219 0.300 . 1 . . . . 18 CYS C . 11384 1 116 . 1 1 18 18 CYS CA C 13 58.375 0.300 . 1 . . . . 18 CYS CA . 11384 1 117 . 1 1 18 18 CYS CB C 13 32.555 0.300 . 1 . . . . 18 CYS CB . 11384 1 118 . 1 1 18 18 CYS N N 15 114.764 0.300 . 1 . . . . 18 CYS N . 11384 1 119 . 1 1 19 19 GLY H H 1 8.046 0.030 . 1 . . . . 19 GLY H . 11384 1 120 . 1 1 19 19 GLY HA2 H 1 4.269 0.030 . 2 . . . . 19 GLY HA2 . 11384 1 121 . 1 1 19 19 GLY HA3 H 1 3.811 0.030 . 2 . . . . 19 GLY HA3 . 11384 1 122 . 1 1 19 19 GLY C C 13 173.682 0.300 . 1 . . . . 19 GLY C . 11384 1 123 . 1 1 19 19 GLY CA C 13 46.262 0.300 . 1 . . . . 19 GLY CA . 11384 1 124 . 1 1 19 19 GLY N N 15 113.043 0.300 . 1 . . . . 19 GLY N . 11384 1 125 . 1 1 20 20 LYS H H 1 8.001 0.030 . 1 . . . . 20 LYS H . 11384 1 126 . 1 1 20 20 LYS HA H 1 3.933 0.030 . 1 . . . . 20 LYS HA . 11384 1 127 . 1 1 20 20 LYS HB2 H 1 1.437 0.030 . 2 . . . . 20 LYS HB2 . 11384 1 128 . 1 1 20 20 LYS HB3 H 1 1.211 0.030 . 2 . . . . 20 LYS HB3 . 11384 1 129 . 1 1 20 20 LYS HD2 H 1 1.504 0.030 . 2 . . . . 20 LYS HD2 . 11384 1 130 . 1 1 20 20 LYS HE2 H 1 3.009 0.030 . 2 . . . . 20 LYS HE2 . 11384 1 131 . 1 1 20 20 LYS HE3 H 1 2.924 0.030 . 2 . . . . 20 LYS HE3 . 11384 1 132 . 1 1 20 20 LYS HG2 H 1 1.069 0.030 . 2 . . . . 20 LYS HG2 . 11384 1 133 . 1 1 20 20 LYS HG3 H 1 1.416 0.030 . 2 . . . . 20 LYS HG3 . 11384 1 134 . 1 1 20 20 LYS C C 13 173.666 0.300 . 1 . . . . 20 LYS C . 11384 1 135 . 1 1 20 20 LYS CA C 13 58.345 0.300 . 1 . . . . 20 LYS CA . 11384 1 136 . 1 1 20 20 LYS CB C 13 33.765 0.300 . 1 . . . . 20 LYS CB . 11384 1 137 . 1 1 20 20 LYS CD C 13 29.380 0.300 . 1 . . . . 20 LYS CD . 11384 1 138 . 1 1 20 20 LYS CE C 13 42.171 0.300 . 1 . . . . 20 LYS CE . 11384 1 139 . 1 1 20 20 LYS CG C 13 26.237 0.300 . 1 . . . . 20 LYS CG . 11384 1 140 . 1 1 20 20 LYS N N 15 123.159 0.300 . 1 . . . . 20 LYS N . 11384 1 141 . 1 1 21 21 ALA H H 1 7.785 0.030 . 1 . . . . 21 ALA H . 11384 1 142 . 1 1 21 21 ALA HA H 1 5.020 0.030 . 1 . . . . 21 ALA HA . 11384 1 143 . 1 1 21 21 ALA HB1 H 1 1.193 0.030 . 1 . . . . 21 ALA HB . 11384 1 144 . 1 1 21 21 ALA HB2 H 1 1.193 0.030 . 1 . . . . 21 ALA HB . 11384 1 145 . 1 1 21 21 ALA HB3 H 1 1.193 0.030 . 1 . . . . 21 ALA HB . 11384 1 146 . 1 1 21 21 ALA C C 13 175.935 0.300 . 1 . . . . 21 ALA C . 11384 1 147 . 1 1 21 21 ALA CA C 13 50.417 0.300 . 1 . . . . 21 ALA CA . 11384 1 148 . 1 1 21 21 ALA CB C 13 22.102 0.300 . 1 . . . . 21 ALA CB . 11384 1 149 . 1 1 21 21 ALA N N 15 123.954 0.300 . 1 . . . . 21 ALA N . 11384 1 150 . 1 1 22 22 PHE H H 1 8.512 0.030 . 1 . . . . 22 PHE H . 11384 1 151 . 1 1 22 22 PHE HA H 1 4.681 0.030 . 1 . . . . 22 PHE HA . 11384 1 152 . 1 1 22 22 PHE HB2 H 1 2.558 0.030 . 2 . . . . 22 PHE HB2 . 11384 1 153 . 1 1 22 22 PHE HB3 H 1 3.453 0.030 . 2 . . . . 22 PHE HB3 . 11384 1 154 . 1 1 22 22 PHE HD1 H 1 7.143 0.030 . 1 . . . . 22 PHE HD1 . 11384 1 155 . 1 1 22 22 PHE HD2 H 1 7.143 0.030 . 1 . . . . 22 PHE HD2 . 11384 1 156 . 1 1 22 22 PHE HE1 H 1 6.856 0.030 . 1 . . . . 22 PHE HE1 . 11384 1 157 . 1 1 22 22 PHE HE2 H 1 6.856 0.030 . 1 . . . . 22 PHE HE2 . 11384 1 158 . 1 1 22 22 PHE HZ H 1 6.247 0.030 . 1 . . . . 22 PHE HZ . 11384 1 159 . 1 1 22 22 PHE C C 13 174.988 0.300 . 1 . . . . 22 PHE C . 11384 1 160 . 1 1 22 22 PHE CA C 13 56.915 0.300 . 1 . . . . 22 PHE CA . 11384 1 161 . 1 1 22 22 PHE CB C 13 43.594 0.300 . 1 . . . . 22 PHE CB . 11384 1 162 . 1 1 22 22 PHE CD1 C 13 132.392 0.300 . 1 . . . . 22 PHE CD1 . 11384 1 163 . 1 1 22 22 PHE CD2 C 13 132.392 0.300 . 1 . . . . 22 PHE CD2 . 11384 1 164 . 1 1 22 22 PHE CE1 C 13 130.634 0.300 . 1 . . . . 22 PHE CE1 . 11384 1 165 . 1 1 22 22 PHE CE2 C 13 130.634 0.300 . 1 . . . . 22 PHE CE2 . 11384 1 166 . 1 1 22 22 PHE CZ C 13 128.598 0.300 . 1 . . . . 22 PHE CZ . 11384 1 167 . 1 1 22 22 PHE N N 15 116.619 0.300 . 1 . . . . 22 PHE N . 11384 1 168 . 1 1 23 23 CYS H H 1 8.790 0.030 . 1 . . . . 23 CYS H . 11384 1 169 . 1 1 23 23 CYS HA H 1 4.112 0.030 . 1 . . . . 23 CYS HA . 11384 1 170 . 1 1 23 23 CYS HB2 H 1 2.409 0.030 . 2 . . . . 23 CYS HB2 . 11384 1 171 . 1 1 23 23 CYS HB3 H 1 2.283 0.030 . 2 . . . . 23 CYS HB3 . 11384 1 172 . 1 1 23 23 CYS C C 13 174.059 0.300 . 1 . . . . 23 CYS C . 11384 1 173 . 1 1 23 23 CYS CA C 13 61.980 0.300 . 1 . . . . 23 CYS CA . 11384 1 174 . 1 1 23 23 CYS CB C 13 27.465 0.300 . 1 . . . . 23 CYS CB . 11384 1 175 . 1 1 23 23 CYS N N 15 119.438 0.300 . 1 . . . . 23 CYS N . 11384 1 176 . 1 1 24 24 TRP H H 1 7.590 0.030 . 1 . . . . 24 TRP H . 11384 1 177 . 1 1 24 24 TRP HA H 1 5.264 0.030 . 1 . . . . 24 TRP HA . 11384 1 178 . 1 1 24 24 TRP HB2 H 1 2.949 0.030 . 2 . . . . 24 TRP HB2 . 11384 1 179 . 1 1 24 24 TRP HB3 H 1 3.665 0.030 . 2 . . . . 24 TRP HB3 . 11384 1 180 . 1 1 24 24 TRP HD1 H 1 7.282 0.030 . 1 . . . . 24 TRP HD1 . 11384 1 181 . 1 1 24 24 TRP HE1 H 1 10.193 0.030 . 1 . . . . 24 TRP HE1 . 11384 1 182 . 1 1 24 24 TRP HE3 H 1 7.729 0.030 . 1 . . . . 24 TRP HE3 . 11384 1 183 . 1 1 24 24 TRP HH2 H 1 7.292 0.030 . 1 . . . . 24 TRP HH2 . 11384 1 184 . 1 1 24 24 TRP HZ2 H 1 7.546 0.030 . 1 . . . . 24 TRP HZ2 . 11384 1 185 . 1 1 24 24 TRP HZ3 H 1 7.234 0.030 . 1 . . . . 24 TRP HZ3 . 11384 1 186 . 1 1 24 24 TRP C C 13 177.287 0.300 . 1 . . . . 24 TRP C . 11384 1 187 . 1 1 24 24 TRP CA C 13 55.141 0.300 . 1 . . . . 24 TRP CA . 11384 1 188 . 1 1 24 24 TRP CB C 13 32.768 0.300 . 1 . . . . 24 TRP CB . 11384 1 189 . 1 1 24 24 TRP CD1 C 13 127.550 0.300 . 1 . . . . 24 TRP CD1 . 11384 1 190 . 1 1 24 24 TRP CE3 C 13 121.198 0.300 . 1 . . . . 24 TRP CE3 . 11384 1 191 . 1 1 24 24 TRP CH2 C 13 124.747 0.300 . 1 . . . . 24 TRP CH2 . 11384 1 192 . 1 1 24 24 TRP CZ2 C 13 114.703 0.300 . 1 . . . . 24 TRP CZ2 . 11384 1 193 . 1 1 24 24 TRP CZ3 C 13 122.037 0.300 . 1 . . . . 24 TRP CZ3 . 11384 1 194 . 1 1 24 24 TRP N N 15 114.452 0.300 . 1 . . . . 24 TRP N . 11384 1 195 . 1 1 24 24 TRP NE1 N 15 129.189 0.300 . 1 . . . . 24 TRP NE1 . 11384 1 196 . 1 1 25 25 LYS H H 1 9.439 0.030 . 1 . . . . 25 LYS H . 11384 1 197 . 1 1 25 25 LYS HA H 1 4.111 0.030 . 1 . . . . 25 LYS HA . 11384 1 198 . 1 1 25 25 LYS HB2 H 1 2.070 0.030 . 2 . . . . 25 LYS HB2 . 11384 1 199 . 1 1 25 25 LYS HB3 H 1 2.000 0.030 . 2 . . . . 25 LYS HB3 . 11384 1 200 . 1 1 25 25 LYS HD2 H 1 1.815 0.030 . 1 . . . . 25 LYS HD2 . 11384 1 201 . 1 1 25 25 LYS HD3 H 1 1.815 0.030 . 1 . . . . 25 LYS HD3 . 11384 1 202 . 1 1 25 25 LYS HE2 H 1 3.062 0.030 . 2 . . . . 25 LYS HE2 . 11384 1 203 . 1 1 25 25 LYS HG2 H 1 1.612 0.030 . 1 . . . . 25 LYS HG2 . 11384 1 204 . 1 1 25 25 LYS HG3 H 1 1.612 0.030 . 1 . . . . 25 LYS HG3 . 11384 1 205 . 1 1 25 25 LYS C C 13 178.478 0.300 . 1 . . . . 25 LYS C . 11384 1 206 . 1 1 25 25 LYS CA C 13 59.921 0.300 . 1 . . . . 25 LYS CA . 11384 1 207 . 1 1 25 25 LYS CB C 13 32.085 0.300 . 1 . . . . 25 LYS CB . 11384 1 208 . 1 1 25 25 LYS CD C 13 29.305 0.300 . 1 . . . . 25 LYS CD . 11384 1 209 . 1 1 25 25 LYS CE C 13 42.160 0.300 . 1 . . . . 25 LYS CE . 11384 1 210 . 1 1 25 25 LYS CG C 13 25.079 0.300 . 1 . . . . 25 LYS CG . 11384 1 211 . 1 1 25 25 LYS N N 15 127.107 0.300 . 1 . . . . 25 LYS N . 11384 1 212 . 1 1 26 26 SER H H 1 8.865 0.030 . 1 . . . . 26 SER H . 11384 1 213 . 1 1 26 26 SER HA H 1 4.083 0.030 . 1 . . . . 26 SER HA . 11384 1 214 . 1 1 26 26 SER HB2 H 1 3.972 0.030 . 2 . . . . 26 SER HB2 . 11384 1 215 . 1 1 26 26 SER HB3 H 1 3.918 0.030 . 2 . . . . 26 SER HB3 . 11384 1 216 . 1 1 26 26 SER C C 13 177.228 0.300 . 1 . . . . 26 SER C . 11384 1 217 . 1 1 26 26 SER CA C 13 61.429 0.300 . 1 . . . . 26 SER CA . 11384 1 218 . 1 1 26 26 SER CB C 13 61.595 0.300 . 1 . . . . 26 SER CB . 11384 1 219 . 1 1 26 26 SER N N 15 113.178 0.300 . 1 . . . . 26 SER N . 11384 1 220 . 1 1 27 27 GLN H H 1 7.122 0.030 . 1 . . . . 27 GLN H . 11384 1 221 . 1 1 27 27 GLN HA H 1 4.109 0.030 . 1 . . . . 27 GLN HA . 11384 1 222 . 1 1 27 27 GLN HB2 H 1 2.648 0.030 . 2 . . . . 27 GLN HB2 . 11384 1 223 . 1 1 27 27 GLN HB3 H 1 2.089 0.030 . 2 . . . . 27 GLN HB3 . 11384 1 224 . 1 1 27 27 GLN HE21 H 1 7.621 0.030 . 2 . . . . 27 GLN HE21 . 11384 1 225 . 1 1 27 27 GLN HE22 H 1 7.030 0.030 . 2 . . . . 27 GLN HE22 . 11384 1 226 . 1 1 27 27 GLN HG2 H 1 2.572 0.030 . 1 . . . . 27 GLN HG2 . 11384 1 227 . 1 1 27 27 GLN HG3 H 1 2.572 0.030 . 1 . . . . 27 GLN HG3 . 11384 1 228 . 1 1 27 27 GLN C C 13 178.713 0.300 . 1 . . . . 27 GLN C . 11384 1 229 . 1 1 27 27 GLN CA C 13 57.897 0.300 . 1 . . . . 27 GLN CA . 11384 1 230 . 1 1 27 27 GLN CB C 13 29.110 0.300 . 1 . . . . 27 GLN CB . 11384 1 231 . 1 1 27 27 GLN CG C 13 34.567 0.300 . 1 . . . . 27 GLN CG . 11384 1 232 . 1 1 27 27 GLN N N 15 120.409 0.300 . 1 . . . . 27 GLN N . 11384 1 233 . 1 1 27 27 GLN NE2 N 15 111.757 0.300 . 1 . . . . 27 GLN NE2 . 11384 1 234 . 1 1 28 28 LEU H H 1 7.229 0.030 . 1 . . . . 28 LEU H . 11384 1 235 . 1 1 28 28 LEU HA H 1 3.338 0.030 . 1 . . . . 28 LEU HA . 11384 1 236 . 1 1 28 28 LEU HB2 H 1 2.193 0.030 . 2 . . . . 28 LEU HB2 . 11384 1 237 . 1 1 28 28 LEU HB3 H 1 1.340 0.030 . 2 . . . . 28 LEU HB3 . 11384 1 238 . 1 1 28 28 LEU HD11 H 1 1.058 0.030 . 1 . . . . 28 LEU HD1 . 11384 1 239 . 1 1 28 28 LEU HD12 H 1 1.058 0.030 . 1 . . . . 28 LEU HD1 . 11384 1 240 . 1 1 28 28 LEU HD13 H 1 1.058 0.030 . 1 . . . . 28 LEU HD1 . 11384 1 241 . 1 1 28 28 LEU HD21 H 1 0.970 0.030 . 1 . . . . 28 LEU HD2 . 11384 1 242 . 1 1 28 28 LEU HD22 H 1 0.970 0.030 . 1 . . . . 28 LEU HD2 . 11384 1 243 . 1 1 28 28 LEU HD23 H 1 0.970 0.030 . 1 . . . . 28 LEU HD2 . 11384 1 244 . 1 1 28 28 LEU HG H 1 1.591 0.030 . 1 . . . . 28 LEU HG . 11384 1 245 . 1 1 28 28 LEU C C 13 177.786 0.300 . 1 . . . . 28 LEU C . 11384 1 246 . 1 1 28 28 LEU CA C 13 57.972 0.300 . 1 . . . . 28 LEU CA . 11384 1 247 . 1 1 28 28 LEU CB C 13 40.835 0.300 . 1 . . . . 28 LEU CB . 11384 1 248 . 1 1 28 28 LEU CD1 C 13 22.954 0.300 . 2 . . . . 28 LEU CD1 . 11384 1 249 . 1 1 28 28 LEU CD2 C 13 26.389 0.300 . 2 . . . . 28 LEU CD2 . 11384 1 250 . 1 1 28 28 LEU CG C 13 27.432 0.300 . 1 . . . . 28 LEU CG . 11384 1 251 . 1 1 28 28 LEU N N 15 122.472 0.300 . 1 . . . . 28 LEU N . 11384 1 252 . 1 1 29 29 ILE H H 1 8.442 0.030 . 1 . . . . 29 ILE H . 11384 1 253 . 1 1 29 29 ILE HA H 1 3.832 0.030 . 1 . . . . 29 ILE HA . 11384 1 254 . 1 1 29 29 ILE HB H 1 1.856 0.030 . 1 . . . . 29 ILE HB . 11384 1 255 . 1 1 29 29 ILE HD11 H 1 0.863 0.030 . 1 . . . . 29 ILE HD1 . 11384 1 256 . 1 1 29 29 ILE HD12 H 1 0.863 0.030 . 1 . . . . 29 ILE HD1 . 11384 1 257 . 1 1 29 29 ILE HD13 H 1 0.863 0.030 . 1 . . . . 29 ILE HD1 . 11384 1 258 . 1 1 29 29 ILE HG12 H 1 1.655 0.030 . 2 . . . . 29 ILE HG12 . 11384 1 259 . 1 1 29 29 ILE HG13 H 1 1.290 0.030 . 2 . . . . 29 ILE HG13 . 11384 1 260 . 1 1 29 29 ILE HG21 H 1 0.933 0.030 . 1 . . . . 29 ILE HG2 . 11384 1 261 . 1 1 29 29 ILE HG22 H 1 0.933 0.030 . 1 . . . . 29 ILE HG2 . 11384 1 262 . 1 1 29 29 ILE HG23 H 1 0.933 0.030 . 1 . . . . 29 ILE HG2 . 11384 1 263 . 1 1 29 29 ILE C C 13 179.177 0.300 . 1 . . . . 29 ILE C . 11384 1 264 . 1 1 29 29 ILE CA C 13 64.827 0.300 . 1 . . . . 29 ILE CA . 11384 1 265 . 1 1 29 29 ILE CB C 13 37.764 0.300 . 1 . . . . 29 ILE CB . 11384 1 266 . 1 1 29 29 ILE CD1 C 13 12.815 0.300 . 1 . . . . 29 ILE CD1 . 11384 1 267 . 1 1 29 29 ILE CG1 C 13 28.985 0.300 . 1 . . . . 29 ILE CG1 . 11384 1 268 . 1 1 29 29 ILE CG2 C 13 17.182 0.300 . 1 . . . . 29 ILE CG2 . 11384 1 269 . 1 1 29 29 ILE N N 15 119.639 0.300 . 1 . . . . 29 ILE N . 11384 1 270 . 1 1 30 30 MET H H 1 7.306 0.030 . 1 . . . . 30 MET H . 11384 1 271 . 1 1 30 30 MET HA H 1 4.180 0.030 . 1 . . . . 30 MET HA . 11384 1 272 . 1 1 30 30 MET HB2 H 1 2.116 0.030 . 1 . . . . 30 MET HB2 . 11384 1 273 . 1 1 30 30 MET HB3 H 1 2.116 0.030 . 1 . . . . 30 MET HB3 . 11384 1 274 . 1 1 30 30 MET HE1 H 1 2.122 0.030 . 1 . . . . 30 MET HE . 11384 1 275 . 1 1 30 30 MET HE2 H 1 2.122 0.030 . 1 . . . . 30 MET HE . 11384 1 276 . 1 1 30 30 MET HE3 H 1 2.122 0.030 . 1 . . . . 30 MET HE . 11384 1 277 . 1 1 30 30 MET HG2 H 1 2.728 0.030 . 2 . . . . 30 MET HG2 . 11384 1 278 . 1 1 30 30 MET HG3 H 1 2.648 0.030 . 2 . . . . 30 MET HG3 . 11384 1 279 . 1 1 30 30 MET C C 13 178.963 0.300 . 1 . . . . 30 MET C . 11384 1 280 . 1 1 30 30 MET CA C 13 58.393 0.300 . 1 . . . . 30 MET CA . 11384 1 281 . 1 1 30 30 MET CB C 13 32.250 0.300 . 1 . . . . 30 MET CB . 11384 1 282 . 1 1 30 30 MET CE C 13 16.986 0.300 . 1 . . . . 30 MET CE . 11384 1 283 . 1 1 30 30 MET CG C 13 32.197 0.300 . 1 . . . . 30 MET CG . 11384 1 284 . 1 1 30 30 MET N N 15 117.469 0.300 . 1 . . . . 30 MET N . 11384 1 285 . 1 1 31 31 HIS H H 1 7.793 0.030 . 1 . . . . 31 HIS H . 11384 1 286 . 1 1 31 31 HIS HA H 1 4.314 0.030 . 1 . . . . 31 HIS HA . 11384 1 287 . 1 1 31 31 HIS HB2 H 1 3.153 0.030 . 2 . . . . 31 HIS HB2 . 11384 1 288 . 1 1 31 31 HIS HB3 H 1 2.919 0.030 . 2 . . . . 31 HIS HB3 . 11384 1 289 . 1 1 31 31 HIS HD2 H 1 6.993 0.030 . 1 . . . . 31 HIS HD2 . 11384 1 290 . 1 1 31 31 HIS HE1 H 1 8.028 0.030 . 1 . . . . 31 HIS HE1 . 11384 1 291 . 1 1 31 31 HIS C C 13 177.954 0.300 . 1 . . . . 31 HIS C . 11384 1 292 . 1 1 31 31 HIS CA C 13 59.108 0.300 . 1 . . . . 31 HIS CA . 11384 1 293 . 1 1 31 31 HIS CB C 13 28.559 0.300 . 1 . . . . 31 HIS CB . 11384 1 294 . 1 1 31 31 HIS CD2 C 13 127.360 0.300 . 1 . . . . 31 HIS CD2 . 11384 1 295 . 1 1 31 31 HIS CE1 C 13 139.758 0.300 . 1 . . . . 31 HIS CE1 . 11384 1 296 . 1 1 31 31 HIS N N 15 119.099 0.300 . 1 . . . . 31 HIS N . 11384 1 297 . 1 1 32 32 GLN H H 1 8.945 0.030 . 1 . . . . 32 GLN H . 11384 1 298 . 1 1 32 32 GLN HA H 1 3.759 0.030 . 1 . . . . 32 GLN HA . 11384 1 299 . 1 1 32 32 GLN HB2 H 1 2.408 0.030 . 2 . . . . 32 GLN HB2 . 11384 1 300 . 1 1 32 32 GLN HB3 H 1 2.223 0.030 . 2 . . . . 32 GLN HB3 . 11384 1 301 . 1 1 32 32 GLN HE21 H 1 7.667 0.030 . 2 . . . . 32 GLN HE21 . 11384 1 302 . 1 1 32 32 GLN HE22 H 1 6.870 0.030 . 2 . . . . 32 GLN HE22 . 11384 1 303 . 1 1 32 32 GLN HG2 H 1 2.826 0.030 . 2 . . . . 32 GLN HG2 . 11384 1 304 . 1 1 32 32 GLN C C 13 177.921 0.300 . 1 . . . . 32 GLN C . 11384 1 305 . 1 1 32 32 GLN CA C 13 59.939 0.300 . 1 . . . . 32 GLN CA . 11384 1 306 . 1 1 32 32 GLN CB C 13 28.134 0.300 . 1 . . . . 32 GLN CB . 11384 1 307 . 1 1 32 32 GLN CG C 13 35.452 0.300 . 1 . . . . 32 GLN CG . 11384 1 308 . 1 1 32 32 GLN N N 15 120.843 0.300 . 1 . . . . 32 GLN N . 11384 1 309 . 1 1 32 32 GLN NE2 N 15 111.354 0.300 . 1 . . . . 32 GLN NE2 . 11384 1 310 . 1 1 33 33 ARG H H 1 7.243 0.030 . 1 . . . . 33 ARG H . 11384 1 311 . 1 1 33 33 ARG HA H 1 4.162 0.030 . 1 . . . . 33 ARG HA . 11384 1 312 . 1 1 33 33 ARG HB2 H 1 2.004 0.030 . 2 . . . . 33 ARG HB2 . 11384 1 313 . 1 1 33 33 ARG HB3 H 1 1.925 0.030 . 2 . . . . 33 ARG HB3 . 11384 1 314 . 1 1 33 33 ARG HD2 H 1 3.257 0.030 . 1 . . . . 33 ARG HD2 . 11384 1 315 . 1 1 33 33 ARG HD3 H 1 3.257 0.030 . 1 . . . . 33 ARG HD3 . 11384 1 316 . 1 1 33 33 ARG HG2 H 1 1.921 0.030 . 2 . . . . 33 ARG HG2 . 11384 1 317 . 1 1 33 33 ARG HG3 H 1 1.787 0.030 . 2 . . . . 33 ARG HG3 . 11384 1 318 . 1 1 33 33 ARG C C 13 177.990 0.300 . 1 . . . . 33 ARG C . 11384 1 319 . 1 1 33 33 ARG CA C 13 58.401 0.300 . 1 . . . . 33 ARG CA . 11384 1 320 . 1 1 33 33 ARG CB C 13 29.939 0.300 . 1 . . . . 33 ARG CB . 11384 1 321 . 1 1 33 33 ARG CD C 13 43.559 0.300 . 1 . . . . 33 ARG CD . 11384 1 322 . 1 1 33 33 ARG CG C 13 27.360 0.300 . 1 . . . . 33 ARG CG . 11384 1 323 . 1 1 33 33 ARG N N 15 117.414 0.300 . 1 . . . . 33 ARG N . 11384 1 324 . 1 1 34 34 THR H H 1 7.723 0.030 . 1 . . . . 34 THR H . 11384 1 325 . 1 1 34 34 THR HA H 1 4.180 0.030 . 1 . . . . 34 THR HA . 11384 1 326 . 1 1 34 34 THR HB H 1 4.077 0.030 . 1 . . . . 34 THR HB . 11384 1 327 . 1 1 34 34 THR HG21 H 1 1.195 0.030 . 1 . . . . 34 THR HG2 . 11384 1 328 . 1 1 34 34 THR HG22 H 1 1.195 0.030 . 1 . . . . 34 THR HG2 . 11384 1 329 . 1 1 34 34 THR HG23 H 1 1.195 0.030 . 1 . . . . 34 THR HG2 . 11384 1 330 . 1 1 34 34 THR C C 13 175.459 0.300 . 1 . . . . 34 THR C . 11384 1 331 . 1 1 34 34 THR CA C 13 63.872 0.300 . 1 . . . . 34 THR CA . 11384 1 332 . 1 1 34 34 THR CB C 13 69.449 0.300 . 1 . . . . 34 THR CB . 11384 1 333 . 1 1 34 34 THR CG2 C 13 21.038 0.300 . 1 . . . . 34 THR CG2 . 11384 1 334 . 1 1 34 34 THR N N 15 131.080 0.300 . 1 . . . . 34 THR N . 11384 1 335 . 1 1 35 35 HIS H H 1 7.125 0.030 . 1 . . . . 35 HIS H . 11384 1 336 . 1 1 35 35 HIS HA H 1 4.855 0.030 . 1 . . . . 35 HIS HA . 11384 1 337 . 1 1 35 35 HIS HB2 H 1 3.354 0.030 . 2 . . . . 35 HIS HB2 . 11384 1 338 . 1 1 35 35 HIS HB3 H 1 3.170 0.030 . 2 . . . . 35 HIS HB3 . 11384 1 339 . 1 1 35 35 HIS HD2 H 1 6.671 0.030 . 1 . . . . 35 HIS HD2 . 11384 1 340 . 1 1 35 35 HIS HE1 H 1 8.036 0.030 . 1 . . . . 35 HIS HE1 . 11384 1 341 . 1 1 35 35 HIS C C 13 175.125 0.300 . 1 . . . . 35 HIS C . 11384 1 342 . 1 1 35 35 HIS CA C 13 55.671 0.300 . 1 . . . . 35 HIS CA . 11384 1 343 . 1 1 35 35 HIS CB C 13 28.748 0.300 . 1 . . . . 35 HIS CB . 11384 1 344 . 1 1 35 35 HIS CD2 C 13 126.860 0.300 . 1 . . . . 35 HIS CD2 . 11384 1 345 . 1 1 35 35 HIS CE1 C 13 139.860 0.300 . 1 . . . . 35 HIS CE1 . 11384 1 346 . 1 1 35 35 HIS N N 15 118.222 0.300 . 1 . . . . 35 HIS N . 11384 1 347 . 1 1 36 36 VAL H H 1 7.485 0.030 . 1 . . . . 36 VAL H . 11384 1 348 . 1 1 36 36 VAL HA H 1 4.114 0.030 . 1 . . . . 36 VAL HA . 11384 1 349 . 1 1 36 36 VAL HB H 1 2.158 0.030 . 1 . . . . 36 VAL HB . 11384 1 350 . 1 1 36 36 VAL HG11 H 1 0.999 0.030 . 1 . . . . 36 VAL HG1 . 11384 1 351 . 1 1 36 36 VAL HG12 H 1 0.999 0.030 . 1 . . . . 36 VAL HG1 . 11384 1 352 . 1 1 36 36 VAL HG13 H 1 0.999 0.030 . 1 . . . . 36 VAL HG1 . 11384 1 353 . 1 1 36 36 VAL HG21 H 1 0.968 0.030 . 1 . . . . 36 VAL HG2 . 11384 1 354 . 1 1 36 36 VAL HG22 H 1 0.968 0.030 . 1 . . . . 36 VAL HG2 . 11384 1 355 . 1 1 36 36 VAL HG23 H 1 0.968 0.030 . 1 . . . . 36 VAL HG2 . 11384 1 356 . 1 1 36 36 VAL C C 13 175.899 0.300 . 1 . . . . 36 VAL C . 11384 1 357 . 1 1 36 36 VAL CA C 13 63.013 0.300 . 1 . . . . 36 VAL CA . 11384 1 358 . 1 1 36 36 VAL CB C 13 32.860 0.300 . 1 . . . . 36 VAL CB . 11384 1 359 . 1 1 36 36 VAL CG1 C 13 20.925 0.300 . 2 . . . . 36 VAL CG1 . 11384 1 360 . 1 1 36 36 VAL CG2 C 13 21.236 0.300 . 2 . . . . 36 VAL CG2 . 11384 1 361 . 1 1 36 36 VAL N N 15 119.165 0.300 . 1 . . . . 36 VAL N . 11384 1 362 . 1 1 37 37 ASP H H 1 8.308 0.030 . 1 . . . . 37 ASP H . 11384 1 363 . 1 1 37 37 ASP HA H 1 4.675 0.030 . 1 . . . . 37 ASP HA . 11384 1 364 . 1 1 37 37 ASP HB2 H 1 2.776 0.030 . 2 . . . . 37 ASP HB2 . 11384 1 365 . 1 1 37 37 ASP HB3 H 1 2.671 0.030 . 2 . . . . 37 ASP HB3 . 11384 1 366 . 1 1 37 37 ASP C C 13 176.123 0.300 . 1 . . . . 37 ASP C . 11384 1 367 . 1 1 37 37 ASP CA C 13 54.498 0.300 . 1 . . . . 37 ASP CA . 11384 1 368 . 1 1 37 37 ASP CB C 13 41.255 0.300 . 1 . . . . 37 ASP CB . 11384 1 369 . 1 1 37 37 ASP N N 15 123.138 0.300 . 1 . . . . 37 ASP N . 11384 1 370 . 1 1 38 38 ASP H H 1 8.206 0.030 . 1 . . . . 38 ASP H . 11384 1 371 . 1 1 38 38 ASP HA H 1 4.580 0.030 . 1 . . . . 38 ASP HA . 11384 1 372 . 1 1 38 38 ASP HB2 H 1 2.722 0.030 . 1 . . . . 38 ASP HB2 . 11384 1 373 . 1 1 38 38 ASP HB3 H 1 2.722 0.030 . 1 . . . . 38 ASP HB3 . 11384 1 374 . 1 1 38 38 ASP C C 13 176.663 0.300 . 1 . . . . 38 ASP C . 11384 1 375 . 1 1 38 38 ASP CA C 13 54.669 0.300 . 1 . . . . 38 ASP CA . 11384 1 376 . 1 1 38 38 ASP CB C 13 41.068 0.300 . 1 . . . . 38 ASP CB . 11384 1 377 . 1 1 38 38 ASP N N 15 121.272 0.300 . 1 . . . . 38 ASP N . 11384 1 378 . 1 1 39 39 LYS H H 1 8.190 0.030 . 1 . . . . 39 LYS H . 11384 1 379 . 1 1 39 39 LYS HA H 1 4.273 0.030 . 1 . . . . 39 LYS HA . 11384 1 380 . 1 1 39 39 LYS HB2 H 1 1.801 0.030 . 2 . . . . 39 LYS HB2 . 11384 1 381 . 1 1 39 39 LYS HD2 H 1 1.689 0.030 . 2 . . . . 39 LYS HD2 . 11384 1 382 . 1 1 39 39 LYS HE2 H 1 3.033 0.030 . 2 . . . . 39 LYS HE2 . 11384 1 383 . 1 1 39 39 LYS HG2 H 1 1.394 0.030 . 1 . . . . 39 LYS HG2 . 11384 1 384 . 1 1 39 39 LYS HG3 H 1 1.394 0.030 . 1 . . . . 39 LYS HG3 . 11384 1 385 . 1 1 39 39 LYS C C 13 176.695 0.300 . 1 . . . . 39 LYS C . 11384 1 386 . 1 1 39 39 LYS CA C 13 56.614 0.300 . 1 . . . . 39 LYS CA . 11384 1 387 . 1 1 39 39 LYS CB C 13 32.528 0.300 . 1 . . . . 39 LYS CB . 11384 1 388 . 1 1 39 39 LYS CD C 13 28.862 0.300 . 1 . . . . 39 LYS CD . 11384 1 389 . 1 1 39 39 LYS CE C 13 42.160 0.300 . 1 . . . . 39 LYS CE . 11384 1 390 . 1 1 39 39 LYS CG C 13 24.720 0.300 . 1 . . . . 39 LYS CG . 11384 1 391 . 1 1 39 39 LYS N N 15 120.476 0.300 . 1 . . . . 39 LYS N . 11384 1 392 . 1 1 40 40 HIS HA H 1 4.701 0.030 . 1 . . . . 40 HIS HA . 11384 1 393 . 1 1 40 40 HIS HB2 H 1 3.157 0.030 . 2 . . . . 40 HIS HB2 . 11384 1 394 . 1 1 40 40 HIS HB3 H 1 3.278 0.030 . 2 . . . . 40 HIS HB3 . 11384 1 395 . 1 1 40 40 HIS HD2 H 1 7.155 0.030 . 1 . . . . 40 HIS HD2 . 11384 1 396 . 1 1 40 40 HIS HE1 H 1 8.130 0.030 . 1 . . . . 40 HIS HE1 . 11384 1 397 . 1 1 40 40 HIS CA C 13 56.197 0.300 . 1 . . . . 40 HIS CA . 11384 1 398 . 1 1 40 40 HIS CB C 13 30.116 0.300 . 1 . . . . 40 HIS CB . 11384 1 399 . 1 1 40 40 HIS CD2 C 13 120.360 0.300 . 1 . . . . 40 HIS CD2 . 11384 1 400 . 1 1 40 40 HIS CE1 C 13 137.674 0.300 . 1 . . . . 40 HIS CE1 . 11384 1 401 . 1 1 43 43 PRO HA H 1 4.517 0.030 . 1 . . . . 43 PRO HA . 11384 1 402 . 1 1 43 43 PRO HB2 H 1 2.330 0.030 . 2 . . . . 43 PRO HB2 . 11384 1 403 . 1 1 43 43 PRO HB3 H 1 2.012 0.030 . 2 . . . . 43 PRO HB3 . 11384 1 404 . 1 1 43 43 PRO HD2 H 1 3.671 0.030 . 2 . . . . 43 PRO HD2 . 11384 1 405 . 1 1 43 43 PRO HG2 H 1 2.055 0.030 . 2 . . . . 43 PRO HG2 . 11384 1 406 . 1 1 43 43 PRO CA C 13 63.455 0.300 . 1 . . . . 43 PRO CA . 11384 1 407 . 1 1 43 43 PRO CB C 13 32.235 0.300 . 1 . . . . 43 PRO CB . 11384 1 408 . 1 1 43 43 PRO CD C 13 49.872 0.300 . 1 . . . . 43 PRO CD . 11384 1 409 . 1 1 43 43 PRO CG C 13 27.196 0.300 . 1 . . . . 43 PRO CG . 11384 1 stop_ save_