################################### # 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 11385 _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 11385 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11385 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 . . 11385 1 2 $NMRPipe . . 11385 1 3 $NMRView . . 11385 1 4 $Kujira . . 11385 1 5 $CYANA . . 11385 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 THR HA H 1 4.297 0.030 . 1 . . . . 8 THR HA . 11385 1 2 . 1 1 8 8 THR HB H 1 4.220 0.030 . 1 . . . . 8 THR HB . 11385 1 3 . 1 1 8 8 THR HG21 H 1 1.137 0.030 . 1 . . . . 8 THR HG2 . 11385 1 4 . 1 1 8 8 THR HG22 H 1 1.137 0.030 . 1 . . . . 8 THR HG2 . 11385 1 5 . 1 1 8 8 THR HG23 H 1 1.137 0.030 . 1 . . . . 8 THR HG2 . 11385 1 6 . 1 1 8 8 THR CA C 13 61.853 0.300 . 1 . . . . 8 THR CA . 11385 1 7 . 1 1 8 8 THR CB C 13 69.766 0.300 . 1 . . . . 8 THR CB . 11385 1 8 . 1 1 8 8 THR CG2 C 13 21.444 0.300 . 1 . . . . 8 THR CG2 . 11385 1 9 . 1 1 9 9 GLY HA2 H 1 3.875 0.030 . 1 . . . . 9 GLY HA2 . 11385 1 10 . 1 1 9 9 GLY HA3 H 1 3.875 0.030 . 1 . . . . 9 GLY HA3 . 11385 1 11 . 1 1 9 9 GLY C C 13 173.828 0.300 . 1 . . . . 9 GLY C . 11385 1 12 . 1 1 9 9 GLY CA C 13 45.206 0.300 . 1 . . . . 9 GLY CA . 11385 1 13 . 1 1 10 10 LYS H H 1 8.042 0.030 . 1 . . . . 10 LYS H . 11385 1 14 . 1 1 10 10 LYS HA H 1 4.206 0.030 . 1 . . . . 10 LYS HA . 11385 1 15 . 1 1 10 10 LYS HB2 H 1 1.693 0.030 . 2 . . . . 10 LYS HB2 . 11385 1 16 . 1 1 10 10 LYS HB3 H 1 1.625 0.030 . 2 . . . . 10 LYS HB3 . 11385 1 17 . 1 1 10 10 LYS HD2 H 1 1.583 0.030 . 1 . . . . 10 LYS HD2 . 11385 1 18 . 1 1 10 10 LYS HD3 H 1 1.583 0.030 . 1 . . . . 10 LYS HD3 . 11385 1 19 . 1 1 10 10 LYS HE2 H 1 2.912 0.030 . 1 . . . . 10 LYS HE2 . 11385 1 20 . 1 1 10 10 LYS HE3 H 1 2.912 0.030 . 1 . . . . 10 LYS HE3 . 11385 1 21 . 1 1 10 10 LYS HG2 H 1 1.292 0.030 . 1 . . . . 10 LYS HG2 . 11385 1 22 . 1 1 10 10 LYS HG3 H 1 1.292 0.030 . 1 . . . . 10 LYS HG3 . 11385 1 23 . 1 1 10 10 LYS C C 13 176.313 0.300 . 1 . . . . 10 LYS C . 11385 1 24 . 1 1 10 10 LYS CA C 13 56.039 0.300 . 1 . . . . 10 LYS CA . 11385 1 25 . 1 1 10 10 LYS CB C 13 33.047 0.300 . 1 . . . . 10 LYS CB . 11385 1 26 . 1 1 10 10 LYS CD C 13 28.999 0.300 . 1 . . . . 10 LYS CD . 11385 1 27 . 1 1 10 10 LYS CE C 13 42.157 0.300 . 1 . . . . 10 LYS CE . 11385 1 28 . 1 1 10 10 LYS CG C 13 24.575 0.300 . 1 . . . . 10 LYS CG . 11385 1 29 . 1 1 10 10 LYS N N 15 120.853 0.300 . 1 . . . . 10 LYS N . 11385 1 30 . 1 1 11 11 LYS H H 1 8.306 0.030 . 1 . . . . 11 LYS H . 11385 1 31 . 1 1 11 11 LYS HA H 1 4.448 0.030 . 1 . . . . 11 LYS HA . 11385 1 32 . 1 1 11 11 LYS HB2 H 1 1.537 0.030 . 1 . . . . 11 LYS HB2 . 11385 1 33 . 1 1 11 11 LYS HB3 H 1 1.537 0.030 . 1 . . . . 11 LYS HB3 . 11385 1 34 . 1 1 11 11 LYS HD2 H 1 1.478 0.030 . 1 . . . . 11 LYS HD2 . 11385 1 35 . 1 1 11 11 LYS HD3 H 1 1.478 0.030 . 1 . . . . 11 LYS HD3 . 11385 1 36 . 1 1 11 11 LYS HE2 H 1 2.859 0.030 . 1 . . . . 11 LYS HE2 . 11385 1 37 . 1 1 11 11 LYS HE3 H 1 2.859 0.030 . 1 . . . . 11 LYS HE3 . 11385 1 38 . 1 1 11 11 LYS HG2 H 1 1.339 0.030 . 2 . . . . 11 LYS HG2 . 11385 1 39 . 1 1 11 11 LYS HG3 H 1 1.231 0.030 . 2 . . . . 11 LYS HG3 . 11385 1 40 . 1 1 11 11 LYS C C 13 174.414 0.300 . 1 . . . . 11 LYS C . 11385 1 41 . 1 1 11 11 LYS CA C 13 54.021 0.300 . 1 . . . . 11 LYS CA . 11385 1 42 . 1 1 11 11 LYS CB C 13 32.590 0.300 . 1 . . . . 11 LYS CB . 11385 1 43 . 1 1 11 11 LYS CD C 13 29.290 0.300 . 1 . . . . 11 LYS CD . 11385 1 44 . 1 1 11 11 LYS CE C 13 42.092 0.300 . 1 . . . . 11 LYS CE . 11385 1 45 . 1 1 11 11 LYS CG C 13 24.824 0.300 . 1 . . . . 11 LYS CG . 11385 1 46 . 1 1 11 11 LYS N N 15 124.007 0.300 . 1 . . . . 11 LYS N . 11385 1 47 . 1 1 12 12 PRO HA H 1 4.196 0.030 . 1 . . . . 12 PRO HA . 11385 1 48 . 1 1 12 12 PRO HB2 H 1 1.961 0.030 . 2 . . . . 12 PRO HB2 . 11385 1 49 . 1 1 12 12 PRO HB3 H 1 1.336 0.030 . 2 . . . . 12 PRO HB3 . 11385 1 50 . 1 1 12 12 PRO HD2 H 1 3.674 0.030 . 2 . . . . 12 PRO HD2 . 11385 1 51 . 1 1 12 12 PRO HD3 H 1 3.589 0.030 . 2 . . . . 12 PRO HD3 . 11385 1 52 . 1 1 12 12 PRO HG2 H 1 1.800 0.030 . 1 . . . . 12 PRO HG2 . 11385 1 53 . 1 1 12 12 PRO HG3 H 1 1.800 0.030 . 1 . . . . 12 PRO HG3 . 11385 1 54 . 1 1 12 12 PRO C C 13 176.118 0.300 . 1 . . . . 12 PRO C . 11385 1 55 . 1 1 12 12 PRO CA C 13 63.397 0.300 . 1 . . . . 12 PRO CA . 11385 1 56 . 1 1 12 12 PRO CB C 13 32.099 0.300 . 1 . . . . 12 PRO CB . 11385 1 57 . 1 1 12 12 PRO CD C 13 50.505 0.300 . 1 . . . . 12 PRO CD . 11385 1 58 . 1 1 12 12 PRO CG C 13 27.061 0.300 . 1 . . . . 12 PRO CG . 11385 1 59 . 1 1 13 13 TYR H H 1 7.996 0.030 . 1 . . . . 13 TYR H . 11385 1 60 . 1 1 13 13 TYR HA H 1 4.574 0.030 . 1 . . . . 13 TYR HA . 11385 1 61 . 1 1 13 13 TYR HB2 H 1 2.963 0.030 . 2 . . . . 13 TYR HB2 . 11385 1 62 . 1 1 13 13 TYR HB3 H 1 2.834 0.030 . 2 . . . . 13 TYR HB3 . 11385 1 63 . 1 1 13 13 TYR HD1 H 1 6.978 0.030 . 1 . . . . 13 TYR HD1 . 11385 1 64 . 1 1 13 13 TYR HD2 H 1 6.978 0.030 . 1 . . . . 13 TYR HD2 . 11385 1 65 . 1 1 13 13 TYR HE1 H 1 6.827 0.030 . 1 . . . . 13 TYR HE1 . 11385 1 66 . 1 1 13 13 TYR HE2 H 1 6.827 0.030 . 1 . . . . 13 TYR HE2 . 11385 1 67 . 1 1 13 13 TYR C C 13 174.637 0.300 . 1 . . . . 13 TYR C . 11385 1 68 . 1 1 13 13 TYR CA C 13 57.355 0.300 . 1 . . . . 13 TYR CA . 11385 1 69 . 1 1 13 13 TYR CB C 13 38.511 0.300 . 1 . . . . 13 TYR CB . 11385 1 70 . 1 1 13 13 TYR CD1 C 13 133.427 0.300 . 1 . . . . 13 TYR CD1 . 11385 1 71 . 1 1 13 13 TYR CD2 C 13 133.427 0.300 . 1 . . . . 13 TYR CD2 . 11385 1 72 . 1 1 13 13 TYR CE1 C 13 118.098 0.300 . 1 . . . . 13 TYR CE1 . 11385 1 73 . 1 1 13 13 TYR CE2 C 13 118.098 0.300 . 1 . . . . 13 TYR CE2 . 11385 1 74 . 1 1 13 13 TYR N N 15 117.910 0.300 . 1 . . . . 13 TYR N . 11385 1 75 . 1 1 14 14 GLU H H 1 8.391 0.030 . 1 . . . . 14 GLU H . 11385 1 76 . 1 1 14 14 GLU HA H 1 4.881 0.030 . 1 . . . . 14 GLU HA . 11385 1 77 . 1 1 14 14 GLU HB2 H 1 1.754 0.030 . 1 . . . . 14 GLU HB2 . 11385 1 78 . 1 1 14 14 GLU HB3 H 1 1.754 0.030 . 1 . . . . 14 GLU HB3 . 11385 1 79 . 1 1 14 14 GLU HG2 H 1 1.944 0.030 . 2 . . . . 14 GLU HG2 . 11385 1 80 . 1 1 14 14 GLU HG3 H 1 1.872 0.030 . 2 . . . . 14 GLU HG3 . 11385 1 81 . 1 1 14 14 GLU C C 13 175.083 0.300 . 1 . . . . 14 GLU C . 11385 1 82 . 1 1 14 14 GLU CA C 13 54.874 0.300 . 1 . . . . 14 GLU CA . 11385 1 83 . 1 1 14 14 GLU CB C 13 33.033 0.300 . 1 . . . . 14 GLU CB . 11385 1 84 . 1 1 14 14 GLU CG C 13 36.518 0.300 . 1 . . . . 14 GLU CG . 11385 1 85 . 1 1 14 14 GLU N N 15 122.910 0.300 . 1 . . . . 14 GLU N . 11385 1 86 . 1 1 15 15 CYS H H 1 9.182 0.030 . 1 . . . . 15 CYS H . 11385 1 87 . 1 1 15 15 CYS HA H 1 4.716 0.030 . 1 . . . . 15 CYS HA . 11385 1 88 . 1 1 15 15 CYS HB2 H 1 3.220 0.030 . 2 . . . . 15 CYS HB2 . 11385 1 89 . 1 1 15 15 CYS HB3 H 1 2.774 0.030 . 2 . . . . 15 CYS HB3 . 11385 1 90 . 1 1 15 15 CYS C C 13 177.952 0.300 . 1 . . . . 15 CYS C . 11385 1 91 . 1 1 15 15 CYS CA C 13 59.148 0.300 . 1 . . . . 15 CYS CA . 11385 1 92 . 1 1 15 15 CYS CB C 13 29.564 0.300 . 1 . . . . 15 CYS CB . 11385 1 93 . 1 1 15 15 CYS N N 15 126.552 0.300 . 1 . . . . 15 CYS N . 11385 1 94 . 1 1 16 16 ILE H H 1 9.008 0.030 . 1 . . . . 16 ILE H . 11385 1 95 . 1 1 16 16 ILE HA H 1 4.096 0.030 . 1 . . . . 16 ILE HA . 11385 1 96 . 1 1 16 16 ILE HB H 1 1.997 0.030 . 1 . . . . 16 ILE HB . 11385 1 97 . 1 1 16 16 ILE HD11 H 1 0.856 0.030 . 1 . . . . 16 ILE HD1 . 11385 1 98 . 1 1 16 16 ILE HD12 H 1 0.856 0.030 . 1 . . . . 16 ILE HD1 . 11385 1 99 . 1 1 16 16 ILE HD13 H 1 0.856 0.030 . 1 . . . . 16 ILE HD1 . 11385 1 100 . 1 1 16 16 ILE HG12 H 1 1.520 0.030 . 2 . . . . 16 ILE HG12 . 11385 1 101 . 1 1 16 16 ILE HG13 H 1 1.344 0.030 . 2 . . . . 16 ILE HG13 . 11385 1 102 . 1 1 16 16 ILE HG21 H 1 0.999 0.030 . 1 . . . . 16 ILE HG2 . 11385 1 103 . 1 1 16 16 ILE HG22 H 1 0.999 0.030 . 1 . . . . 16 ILE HG2 . 11385 1 104 . 1 1 16 16 ILE HG23 H 1 0.999 0.030 . 1 . . . . 16 ILE HG2 . 11385 1 105 . 1 1 16 16 ILE C C 13 176.148 0.300 . 1 . . . . 16 ILE C . 11385 1 106 . 1 1 16 16 ILE CA C 13 63.338 0.300 . 1 . . . . 16 ILE CA . 11385 1 107 . 1 1 16 16 ILE CB C 13 38.249 0.300 . 1 . . . . 16 ILE CB . 11385 1 108 . 1 1 16 16 ILE CD1 C 13 13.806 0.300 . 1 . . . . 16 ILE CD1 . 11385 1 109 . 1 1 16 16 ILE CG1 C 13 27.577 0.300 . 1 . . . . 16 ILE CG1 . 11385 1 110 . 1 1 16 16 ILE CG2 C 13 17.917 0.300 . 1 . . . . 16 ILE CG2 . 11385 1 111 . 1 1 16 16 ILE N N 15 129.987 0.300 . 1 . . . . 16 ILE N . 11385 1 112 . 1 1 17 17 GLU H H 1 8.676 0.030 . 1 . . . . 17 GLU H . 11385 1 113 . 1 1 17 17 GLU HA H 1 4.309 0.030 . 1 . . . . 17 GLU HA . 11385 1 114 . 1 1 17 17 GLU HB2 H 1 1.347 0.030 . 2 . . . . 17 GLU HB2 . 11385 1 115 . 1 1 17 17 GLU HB3 H 1 1.283 0.030 . 2 . . . . 17 GLU HB3 . 11385 1 116 . 1 1 17 17 GLU HG2 H 1 1.917 0.030 . 2 . . . . 17 GLU HG2 . 11385 1 117 . 1 1 17 17 GLU HG3 H 1 1.861 0.030 . 2 . . . . 17 GLU HG3 . 11385 1 118 . 1 1 17 17 GLU C C 13 177.317 0.300 . 1 . . . . 17 GLU C . 11385 1 119 . 1 1 17 17 GLU CA C 13 58.278 0.300 . 1 . . . . 17 GLU CA . 11385 1 120 . 1 1 17 17 GLU CB C 13 29.911 0.300 . 1 . . . . 17 GLU CB . 11385 1 121 . 1 1 17 17 GLU CG C 13 36.290 0.300 . 1 . . . . 17 GLU CG . 11385 1 122 . 1 1 17 17 GLU N N 15 122.438 0.300 . 1 . . . . 17 GLU N . 11385 1 123 . 1 1 18 18 CYS H H 1 8.159 0.030 . 1 . . . . 18 CYS H . 11385 1 124 . 1 1 18 18 CYS HA H 1 5.088 0.030 . 1 . . . . 18 CYS HA . 11385 1 125 . 1 1 18 18 CYS HB2 H 1 3.293 0.030 . 2 . . . . 18 CYS HB2 . 11385 1 126 . 1 1 18 18 CYS HB3 H 1 2.910 0.030 . 2 . . . . 18 CYS HB3 . 11385 1 127 . 1 1 18 18 CYS C C 13 176.396 0.300 . 1 . . . . 18 CYS C . 11385 1 128 . 1 1 18 18 CYS CA C 13 58.782 0.300 . 1 . . . . 18 CYS CA . 11385 1 129 . 1 1 18 18 CYS CB C 13 32.097 0.300 . 1 . . . . 18 CYS CB . 11385 1 130 . 1 1 18 18 CYS N N 15 115.403 0.300 . 1 . . . . 18 CYS N . 11385 1 131 . 1 1 19 19 GLY H H 1 8.157 0.030 . 1 . . . . 19 GLY H . 11385 1 132 . 1 1 19 19 GLY HA2 H 1 4.121 0.030 . 2 . . . . 19 GLY HA2 . 11385 1 133 . 1 1 19 19 GLY HA3 H 1 3.816 0.030 . 2 . . . . 19 GLY HA3 . 11385 1 134 . 1 1 19 19 GLY C C 13 173.611 0.300 . 1 . . . . 19 GLY C . 11385 1 135 . 1 1 19 19 GLY CA C 13 46.196 0.300 . 1 . . . . 19 GLY CA . 11385 1 136 . 1 1 19 19 GLY N N 15 113.157 0.300 . 1 . . . . 19 GLY N . 11385 1 137 . 1 1 20 20 LYS H H 1 7.681 0.030 . 1 . . . . 20 LYS H . 11385 1 138 . 1 1 20 20 LYS HA H 1 3.904 0.030 . 1 . . . . 20 LYS HA . 11385 1 139 . 1 1 20 20 LYS HB2 H 1 1.269 0.030 . 2 . . . . 20 LYS HB2 . 11385 1 140 . 1 1 20 20 LYS HB3 H 1 1.106 0.030 . 2 . . . . 20 LYS HB3 . 11385 1 141 . 1 1 20 20 LYS HD2 H 1 1.383 0.030 . 1 . . . . 20 LYS HD2 . 11385 1 142 . 1 1 20 20 LYS HD3 H 1 1.383 0.030 . 1 . . . . 20 LYS HD3 . 11385 1 143 . 1 1 20 20 LYS HE2 H 1 2.870 0.030 . 2 . . . . 20 LYS HE2 . 11385 1 144 . 1 1 20 20 LYS HE3 H 1 2.797 0.030 . 2 . . . . 20 LYS HE3 . 11385 1 145 . 1 1 20 20 LYS HG2 H 1 0.984 0.030 . 2 . . . . 20 LYS HG2 . 11385 1 146 . 1 1 20 20 LYS HG3 H 1 1.234 0.030 . 2 . . . . 20 LYS HG3 . 11385 1 147 . 1 1 20 20 LYS C C 13 173.528 0.300 . 1 . . . . 20 LYS C . 11385 1 148 . 1 1 20 20 LYS CA C 13 57.590 0.300 . 1 . . . . 20 LYS CA . 11385 1 149 . 1 1 20 20 LYS CB C 13 33.661 0.300 . 1 . . . . 20 LYS CB . 11385 1 150 . 1 1 20 20 LYS CD C 13 29.097 0.300 . 1 . . . . 20 LYS CD . 11385 1 151 . 1 1 20 20 LYS CE C 13 42.141 0.300 . 1 . . . . 20 LYS CE . 11385 1 152 . 1 1 20 20 LYS CG C 13 25.954 0.300 . 1 . . . . 20 LYS CG . 11385 1 153 . 1 1 20 20 LYS N N 15 122.197 0.300 . 1 . . . . 20 LYS N . 11385 1 154 . 1 1 21 21 ALA H H 1 7.784 0.030 . 1 . . . . 21 ALA H . 11385 1 155 . 1 1 21 21 ALA HA H 1 5.045 0.030 . 1 . . . . 21 ALA HA . 11385 1 156 . 1 1 21 21 ALA HB1 H 1 1.153 0.030 . 1 . . . . 21 ALA HB . 11385 1 157 . 1 1 21 21 ALA HB2 H 1 1.153 0.030 . 1 . . . . 21 ALA HB . 11385 1 158 . 1 1 21 21 ALA HB3 H 1 1.153 0.030 . 1 . . . . 21 ALA HB . 11385 1 159 . 1 1 21 21 ALA C C 13 176.300 0.300 . 1 . . . . 21 ALA C . 11385 1 160 . 1 1 21 21 ALA CA C 13 50.415 0.300 . 1 . . . . 21 ALA CA . 11385 1 161 . 1 1 21 21 ALA CB C 13 22.179 0.300 . 1 . . . . 21 ALA CB . 11385 1 162 . 1 1 21 21 ALA N N 15 124.072 0.300 . 1 . . . . 21 ALA N . 11385 1 163 . 1 1 22 22 PHE H H 1 8.625 0.030 . 1 . . . . 22 PHE H . 11385 1 164 . 1 1 22 22 PHE HA H 1 4.727 0.030 . 1 . . . . 22 PHE HA . 11385 1 165 . 1 1 22 22 PHE HB2 H 1 3.333 0.030 . 2 . . . . 22 PHE HB2 . 11385 1 166 . 1 1 22 22 PHE HB3 H 1 2.577 0.030 . 2 . . . . 22 PHE HB3 . 11385 1 167 . 1 1 22 22 PHE HD1 H 1 7.169 0.030 . 1 . . . . 22 PHE HD1 . 11385 1 168 . 1 1 22 22 PHE HD2 H 1 7.169 0.030 . 1 . . . . 22 PHE HD2 . 11385 1 169 . 1 1 22 22 PHE HE1 H 1 6.796 0.030 . 1 . . . . 22 PHE HE1 . 11385 1 170 . 1 1 22 22 PHE HE2 H 1 6.796 0.030 . 1 . . . . 22 PHE HE2 . 11385 1 171 . 1 1 22 22 PHE HZ H 1 6.271 0.030 . 1 . . . . 22 PHE HZ . 11385 1 172 . 1 1 22 22 PHE C C 13 175.075 0.300 . 1 . . . . 22 PHE C . 11385 1 173 . 1 1 22 22 PHE CA C 13 57.180 0.300 . 1 . . . . 22 PHE CA . 11385 1 174 . 1 1 22 22 PHE CB C 13 43.607 0.300 . 1 . . . . 22 PHE CB . 11385 1 175 . 1 1 22 22 PHE CD1 C 13 132.369 0.300 . 1 . . . . 22 PHE CD1 . 11385 1 176 . 1 1 22 22 PHE CD2 C 13 132.369 0.300 . 1 . . . . 22 PHE CD2 . 11385 1 177 . 1 1 22 22 PHE CE1 C 13 130.509 0.300 . 1 . . . . 22 PHE CE1 . 11385 1 178 . 1 1 22 22 PHE CE2 C 13 130.509 0.300 . 1 . . . . 22 PHE CE2 . 11385 1 179 . 1 1 22 22 PHE CZ C 13 128.485 0.300 . 1 . . . . 22 PHE CZ . 11385 1 180 . 1 1 22 22 PHE N N 15 117.269 0.300 . 1 . . . . 22 PHE N . 11385 1 181 . 1 1 23 23 ILE H H 1 8.751 0.030 . 1 . . . . 23 ILE H . 11385 1 182 . 1 1 23 23 ILE HA H 1 4.196 0.030 . 1 . . . . 23 ILE HA . 11385 1 183 . 1 1 23 23 ILE HB H 1 1.994 0.030 . 1 . . . . 23 ILE HB . 11385 1 184 . 1 1 23 23 ILE HD11 H 1 0.882 0.030 . 1 . . . . 23 ILE HD1 . 11385 1 185 . 1 1 23 23 ILE HD12 H 1 0.882 0.030 . 1 . . . . 23 ILE HD1 . 11385 1 186 . 1 1 23 23 ILE HD13 H 1 0.882 0.030 . 1 . . . . 23 ILE HD1 . 11385 1 187 . 1 1 23 23 ILE HG12 H 1 1.585 0.030 . 2 . . . . 23 ILE HG12 . 11385 1 188 . 1 1 23 23 ILE HG13 H 1 1.312 0.030 . 2 . . . . 23 ILE HG13 . 11385 1 189 . 1 1 23 23 ILE HG21 H 1 0.999 0.030 . 1 . . . . 23 ILE HG2 . 11385 1 190 . 1 1 23 23 ILE HG22 H 1 0.999 0.030 . 1 . . . . 23 ILE HG2 . 11385 1 191 . 1 1 23 23 ILE HG23 H 1 0.999 0.030 . 1 . . . . 23 ILE HG2 . 11385 1 192 . 1 1 23 23 ILE C C 13 176.085 0.300 . 1 . . . . 23 ILE C . 11385 1 193 . 1 1 23 23 ILE CA C 13 63.074 0.300 . 1 . . . . 23 ILE CA . 11385 1 194 . 1 1 23 23 ILE CB C 13 38.456 0.300 . 1 . . . . 23 ILE CB . 11385 1 195 . 1 1 23 23 ILE CD1 C 13 13.035 0.300 . 1 . . . . 23 ILE CD1 . 11385 1 196 . 1 1 23 23 ILE CG1 C 13 28.336 0.300 . 1 . . . . 23 ILE CG1 . 11385 1 197 . 1 1 23 23 ILE CG2 C 13 17.935 0.300 . 1 . . . . 23 ILE CG2 . 11385 1 198 . 1 1 23 23 ILE N N 15 119.757 0.300 . 1 . . . . 23 ILE N . 11385 1 199 . 1 1 24 24 GLN H H 1 7.724 0.030 . 1 . . . . 24 GLN H . 11385 1 200 . 1 1 24 24 GLN HA H 1 4.730 0.030 . 1 . . . . 24 GLN HA . 11385 1 201 . 1 1 24 24 GLN HB2 H 1 2.002 0.030 . 2 . . . . 24 GLN HB2 . 11385 1 202 . 1 1 24 24 GLN HB3 H 1 2.168 0.030 . 2 . . . . 24 GLN HB3 . 11385 1 203 . 1 1 24 24 GLN HE21 H 1 6.900 0.030 . 2 . . . . 24 GLN HE21 . 11385 1 204 . 1 1 24 24 GLN HE22 H 1 7.478 0.030 . 2 . . . . 24 GLN HE22 . 11385 1 205 . 1 1 24 24 GLN HG2 H 1 2.391 0.030 . 1 . . . . 24 GLN HG2 . 11385 1 206 . 1 1 24 24 GLN HG3 H 1 2.391 0.030 . 1 . . . . 24 GLN HG3 . 11385 1 207 . 1 1 24 24 GLN C C 13 174.159 0.300 . 1 . . . . 24 GLN C . 11385 1 208 . 1 1 24 24 GLN CA C 13 53.914 0.300 . 1 . . . . 24 GLN CA . 11385 1 209 . 1 1 24 24 GLN CB C 13 31.130 0.300 . 1 . . . . 24 GLN CB . 11385 1 210 . 1 1 24 24 GLN CG C 13 33.647 0.300 . 1 . . . . 24 GLN CG . 11385 1 211 . 1 1 24 24 GLN N N 15 115.272 0.300 . 1 . . . . 24 GLN N . 11385 1 212 . 1 1 24 24 GLN NE2 N 15 111.887 0.300 . 1 . . . . 24 GLN NE2 . 11385 1 213 . 1 1 25 25 ASN HA H 1 3.546 0.030 . 1 . . . . 25 ASN HA . 11385 1 214 . 1 1 25 25 ASN HB2 H 1 1.973 0.030 . 2 . . . . 25 ASN HB2 . 11385 1 215 . 1 1 25 25 ASN HB3 H 1 2.297 0.030 . 2 . . . . 25 ASN HB3 . 11385 1 216 . 1 1 25 25 ASN HD21 H 1 7.102 0.030 . 2 . . . . 25 ASN HD21 . 11385 1 217 . 1 1 25 25 ASN HD22 H 1 6.666 0.030 . 2 . . . . 25 ASN HD22 . 11385 1 218 . 1 1 25 25 ASN CA C 13 56.181 0.300 . 1 . . . . 25 ASN CA . 11385 1 219 . 1 1 25 25 ASN CB C 13 38.033 0.300 . 1 . . . . 25 ASN CB . 11385 1 220 . 1 1 25 25 ASN ND2 N 15 111.399 0.300 . 1 . . . . 25 ASN ND2 . 11385 1 221 . 1 1 26 26 THR HA H 1 3.727 0.030 . 1 . . . . 26 THR HA . 11385 1 222 . 1 1 26 26 THR HB H 1 4.078 0.030 . 1 . . . . 26 THR HB . 11385 1 223 . 1 1 26 26 THR HG21 H 1 1.220 0.030 . 1 . . . . 26 THR HG2 . 11385 1 224 . 1 1 26 26 THR HG22 H 1 1.220 0.030 . 1 . . . . 26 THR HG2 . 11385 1 225 . 1 1 26 26 THR HG23 H 1 1.220 0.030 . 1 . . . . 26 THR HG2 . 11385 1 226 . 1 1 26 26 THR C C 13 177.185 0.300 . 1 . . . . 26 THR C . 11385 1 227 . 1 1 26 26 THR CA C 13 65.127 0.300 . 1 . . . . 26 THR CA . 11385 1 228 . 1 1 26 26 THR CB C 13 67.963 0.300 . 1 . . . . 26 THR CB . 11385 1 229 . 1 1 26 26 THR CG2 C 13 22.460 0.300 . 1 . . . . 26 THR CG2 . 11385 1 230 . 1 1 27 27 SER H H 1 6.964 0.030 . 1 . . . . 27 SER H . 11385 1 231 . 1 1 27 27 SER HA H 1 4.153 0.030 . 1 . . . . 27 SER HA . 11385 1 232 . 1 1 27 27 SER HB2 H 1 4.041 0.030 . 2 . . . . 27 SER HB2 . 11385 1 233 . 1 1 27 27 SER HB3 H 1 3.906 0.030 . 2 . . . . 27 SER HB3 . 11385 1 234 . 1 1 27 27 SER C C 13 175.594 0.300 . 1 . . . . 27 SER C . 11385 1 235 . 1 1 27 27 SER CA C 13 60.872 0.300 . 1 . . . . 27 SER CA . 11385 1 236 . 1 1 27 27 SER CB C 13 62.399 0.300 . 1 . . . . 27 SER CB . 11385 1 237 . 1 1 27 27 SER N N 15 117.049 0.300 . 1 . . . . 27 SER N . 11385 1 238 . 1 1 28 28 LEU H H 1 6.861 0.030 . 1 . . . . 28 LEU H . 11385 1 239 . 1 1 28 28 LEU HA H 1 3.200 0.030 . 1 . . . . 28 LEU HA . 11385 1 240 . 1 1 28 28 LEU HB2 H 1 1.998 0.030 . 2 . . . . 28 LEU HB2 . 11385 1 241 . 1 1 28 28 LEU HB3 H 1 1.143 0.030 . 2 . . . . 28 LEU HB3 . 11385 1 242 . 1 1 28 28 LEU HD11 H 1 0.961 0.030 . 1 . . . . 28 LEU HD1 . 11385 1 243 . 1 1 28 28 LEU HD12 H 1 0.961 0.030 . 1 . . . . 28 LEU HD1 . 11385 1 244 . 1 1 28 28 LEU HD13 H 1 0.961 0.030 . 1 . . . . 28 LEU HD1 . 11385 1 245 . 1 1 28 28 LEU HD21 H 1 1.012 0.030 . 1 . . . . 28 LEU HD2 . 11385 1 246 . 1 1 28 28 LEU HD22 H 1 1.012 0.030 . 1 . . . . 28 LEU HD2 . 11385 1 247 . 1 1 28 28 LEU HD23 H 1 1.012 0.030 . 1 . . . . 28 LEU HD2 . 11385 1 248 . 1 1 28 28 LEU HG H 1 1.426 0.030 . 1 . . . . 28 LEU HG . 11385 1 249 . 1 1 28 28 LEU C C 13 177.190 0.300 . 1 . . . . 28 LEU C . 11385 1 250 . 1 1 28 28 LEU CA C 13 57.799 0.300 . 1 . . . . 28 LEU CA . 11385 1 251 . 1 1 28 28 LEU CB C 13 40.120 0.300 . 1 . . . . 28 LEU CB . 11385 1 252 . 1 1 28 28 LEU CD1 C 13 26.349 0.300 . 2 . . . . 28 LEU CD1 . 11385 1 253 . 1 1 28 28 LEU CD2 C 13 22.554 0.300 . 2 . . . . 28 LEU CD2 . 11385 1 254 . 1 1 28 28 LEU CG C 13 27.598 0.300 . 1 . . . . 28 LEU CG . 11385 1 255 . 1 1 28 28 LEU N N 15 124.977 0.300 . 1 . . . . 28 LEU N . 11385 1 256 . 1 1 29 29 ILE H H 1 7.959 0.030 . 1 . . . . 29 ILE H . 11385 1 257 . 1 1 29 29 ILE HA H 1 3.684 0.030 . 1 . . . . 29 ILE HA . 11385 1 258 . 1 1 29 29 ILE HB H 1 1.713 0.030 . 1 . . . . 29 ILE HB . 11385 1 259 . 1 1 29 29 ILE HD11 H 1 0.664 0.030 . 1 . . . . 29 ILE HD1 . 11385 1 260 . 1 1 29 29 ILE HD12 H 1 0.664 0.030 . 1 . . . . 29 ILE HD1 . 11385 1 261 . 1 1 29 29 ILE HD13 H 1 0.664 0.030 . 1 . . . . 29 ILE HD1 . 11385 1 262 . 1 1 29 29 ILE HG12 H 1 1.452 0.030 . 2 . . . . 29 ILE HG12 . 11385 1 263 . 1 1 29 29 ILE HG13 H 1 1.059 0.030 . 2 . . . . 29 ILE HG13 . 11385 1 264 . 1 1 29 29 ILE HG21 H 1 0.871 0.030 . 1 . . . . 29 ILE HG2 . 11385 1 265 . 1 1 29 29 ILE HG22 H 1 0.871 0.030 . 1 . . . . 29 ILE HG2 . 11385 1 266 . 1 1 29 29 ILE HG23 H 1 0.871 0.030 . 1 . . . . 29 ILE HG2 . 11385 1 267 . 1 1 29 29 ILE C C 13 178.358 0.300 . 1 . . . . 29 ILE C . 11385 1 268 . 1 1 29 29 ILE CA C 13 64.910 0.300 . 1 . . . . 29 ILE CA . 11385 1 269 . 1 1 29 29 ILE CB C 13 37.665 0.300 . 1 . . . . 29 ILE CB . 11385 1 270 . 1 1 29 29 ILE CD1 C 13 12.697 0.300 . 1 . . . . 29 ILE CD1 . 11385 1 271 . 1 1 29 29 ILE CG1 C 13 28.683 0.300 . 1 . . . . 29 ILE CG1 . 11385 1 272 . 1 1 29 29 ILE CG2 C 13 17.133 0.300 . 1 . . . . 29 ILE CG2 . 11385 1 273 . 1 1 29 29 ILE N N 15 119.728 0.300 . 1 . . . . 29 ILE N . 11385 1 274 . 1 1 30 30 ARG H H 1 7.562 0.030 . 1 . . . . 30 ARG H . 11385 1 275 . 1 1 30 30 ARG HA H 1 3.920 0.030 . 1 . . . . 30 ARG HA . 11385 1 276 . 1 1 30 30 ARG HB2 H 1 1.807 0.030 . 1 . . . . 30 ARG HB2 . 11385 1 277 . 1 1 30 30 ARG HB3 H 1 1.807 0.030 . 1 . . . . 30 ARG HB3 . 11385 1 278 . 1 1 30 30 ARG HD2 H 1 3.161 0.030 . 1 . . . . 30 ARG HD2 . 11385 1 279 . 1 1 30 30 ARG HD3 H 1 3.161 0.030 . 1 . . . . 30 ARG HD3 . 11385 1 280 . 1 1 30 30 ARG HG2 H 1 1.724 0.030 . 2 . . . . 30 ARG HG2 . 11385 1 281 . 1 1 30 30 ARG HG3 H 1 1.549 0.030 . 2 . . . . 30 ARG HG3 . 11385 1 282 . 1 1 30 30 ARG C C 13 178.084 0.300 . 1 . . . . 30 ARG C . 11385 1 283 . 1 1 30 30 ARG CA C 13 59.710 0.300 . 1 . . . . 30 ARG CA . 11385 1 284 . 1 1 30 30 ARG CB C 13 30.200 0.300 . 1 . . . . 30 ARG CB . 11385 1 285 . 1 1 30 30 ARG CD C 13 43.472 0.300 . 1 . . . . 30 ARG CD . 11385 1 286 . 1 1 30 30 ARG CG C 13 27.861 0.300 . 1 . . . . 30 ARG CG . 11385 1 287 . 1 1 30 30 ARG N N 15 119.127 0.300 . 1 . . . . 30 ARG N . 11385 1 288 . 1 1 31 31 HIS H H 1 7.669 0.030 . 1 . . . . 31 HIS H . 11385 1 289 . 1 1 31 31 HIS HA H 1 4.408 0.030 . 1 . . . . 31 HIS HA . 11385 1 290 . 1 1 31 31 HIS HB2 H 1 3.383 0.030 . 2 . . . . 31 HIS HB2 . 11385 1 291 . 1 1 31 31 HIS HB3 H 1 3.019 0.030 . 2 . . . . 31 HIS HB3 . 11385 1 292 . 1 1 31 31 HIS HD2 H 1 7.170 0.030 . 1 . . . . 31 HIS HD2 . 11385 1 293 . 1 1 31 31 HIS HE1 H 1 7.555 0.030 . 1 . . . . 31 HIS HE1 . 11385 1 294 . 1 1 31 31 HIS C C 13 176.378 0.300 . 1 . . . . 31 HIS C . 11385 1 295 . 1 1 31 31 HIS CA C 13 59.782 0.300 . 1 . . . . 31 HIS CA . 11385 1 296 . 1 1 31 31 HIS CB C 13 28.665 0.300 . 1 . . . . 31 HIS CB . 11385 1 297 . 1 1 31 31 HIS CD2 C 13 127.348 0.300 . 1 . . . . 31 HIS CD2 . 11385 1 298 . 1 1 31 31 HIS CE1 C 13 139.128 0.300 . 1 . . . . 31 HIS CE1 . 11385 1 299 . 1 1 31 31 HIS N N 15 118.584 0.300 . 1 . . . . 31 HIS N . 11385 1 300 . 1 1 32 32 TRP H H 1 9.123 0.030 . 1 . . . . 32 TRP H . 11385 1 301 . 1 1 32 32 TRP HA H 1 3.989 0.030 . 1 . . . . 32 TRP HA . 11385 1 302 . 1 1 32 32 TRP HB2 H 1 3.471 0.030 . 1 . . . . 32 TRP HB2 . 11385 1 303 . 1 1 32 32 TRP HB3 H 1 3.471 0.030 . 1 . . . . 32 TRP HB3 . 11385 1 304 . 1 1 32 32 TRP HD1 H 1 7.203 0.030 . 1 . . . . 32 TRP HD1 . 11385 1 305 . 1 1 32 32 TRP HE1 H 1 10.135 0.030 . 1 . . . . 32 TRP HE1 . 11385 1 306 . 1 1 32 32 TRP HE3 H 1 7.748 0.030 . 1 . . . . 32 TRP HE3 . 11385 1 307 . 1 1 32 32 TRP HH2 H 1 7.167 0.030 . 1 . . . . 32 TRP HH2 . 11385 1 308 . 1 1 32 32 TRP HZ2 H 1 7.462 0.030 . 1 . . . . 32 TRP HZ2 . 11385 1 309 . 1 1 32 32 TRP HZ3 H 1 7.025 0.030 . 1 . . . . 32 TRP HZ3 . 11385 1 310 . 1 1 32 32 TRP C C 13 178.084 0.300 . 1 . . . . 32 TRP C . 11385 1 311 . 1 1 32 32 TRP CA C 13 61.777 0.300 . 1 . . . . 32 TRP CA . 11385 1 312 . 1 1 32 32 TRP CB C 13 28.860 0.300 . 1 . . . . 32 TRP CB . 11385 1 313 . 1 1 32 32 TRP CD1 C 13 126.210 0.300 . 1 . . . . 32 TRP CD1 . 11385 1 314 . 1 1 32 32 TRP CE3 C 13 120.494 0.300 . 1 . . . . 32 TRP CE3 . 11385 1 315 . 1 1 32 32 TRP CH2 C 13 124.577 0.300 . 1 . . . . 32 TRP CH2 . 11385 1 316 . 1 1 32 32 TRP CZ2 C 13 114.807 0.300 . 1 . . . . 32 TRP CZ2 . 11385 1 317 . 1 1 32 32 TRP CZ3 C 13 122.392 0.300 . 1 . . . . 32 TRP CZ3 . 11385 1 318 . 1 1 32 32 TRP N N 15 121.216 0.300 . 1 . . . . 32 TRP N . 11385 1 319 . 1 1 32 32 TRP NE1 N 15 129.870 0.300 . 1 . . . . 32 TRP NE1 . 11385 1 320 . 1 1 33 33 ARG H H 1 8.175 0.030 . 1 . . . . 33 ARG H . 11385 1 321 . 1 1 33 33 ARG HA H 1 3.847 0.030 . 1 . . . . 33 ARG HA . 11385 1 322 . 1 1 33 33 ARG HB2 H 1 1.825 0.030 . 2 . . . . 33 ARG HB2 . 11385 1 323 . 1 1 33 33 ARG HB3 H 1 1.767 0.030 . 2 . . . . 33 ARG HB3 . 11385 1 324 . 1 1 33 33 ARG HD2 H 1 3.047 0.030 . 1 . . . . 33 ARG HD2 . 11385 1 325 . 1 1 33 33 ARG HD3 H 1 3.047 0.030 . 1 . . . . 33 ARG HD3 . 11385 1 326 . 1 1 33 33 ARG HG2 H 1 1.467 0.030 . 2 . . . . 33 ARG HG2 . 11385 1 327 . 1 1 33 33 ARG HG3 H 1 1.713 0.030 . 2 . . . . 33 ARG HG3 . 11385 1 328 . 1 1 33 33 ARG C C 13 177.969 0.300 . 1 . . . . 33 ARG C . 11385 1 329 . 1 1 33 33 ARG CA C 13 58.506 0.300 . 1 . . . . 33 ARG CA . 11385 1 330 . 1 1 33 33 ARG CB C 13 30.079 0.300 . 1 . . . . 33 ARG CB . 11385 1 331 . 1 1 33 33 ARG CD C 13 43.450 0.300 . 1 . . . . 33 ARG CD . 11385 1 332 . 1 1 33 33 ARG CG C 13 27.507 0.300 . 1 . . . . 33 ARG CG . 11385 1 333 . 1 1 33 33 ARG N N 15 116.311 0.300 . 1 . . . . 33 ARG N . 11385 1 334 . 1 1 34 34 TYR H H 1 7.765 0.030 . 1 . . . . 34 TYR H . 11385 1 335 . 1 1 34 34 TYR HA H 1 4.098 0.030 . 1 . . . . 34 TYR HA . 11385 1 336 . 1 1 34 34 TYR HB2 H 1 2.773 0.030 . 2 . . . . 34 TYR HB2 . 11385 1 337 . 1 1 34 34 TYR HB3 H 1 2.547 0.030 . 2 . . . . 34 TYR HB3 . 11385 1 338 . 1 1 34 34 TYR HD1 H 1 6.505 0.030 . 1 . . . . 34 TYR HD1 . 11385 1 339 . 1 1 34 34 TYR HD2 H 1 6.505 0.030 . 1 . . . . 34 TYR HD2 . 11385 1 340 . 1 1 34 34 TYR HE1 H 1 6.564 0.030 . 1 . . . . 34 TYR HE1 . 11385 1 341 . 1 1 34 34 TYR HE2 H 1 6.564 0.030 . 1 . . . . 34 TYR HE2 . 11385 1 342 . 1 1 34 34 TYR C C 13 177.157 0.300 . 1 . . . . 34 TYR C . 11385 1 343 . 1 1 34 34 TYR CA C 13 60.157 0.300 . 1 . . . . 34 TYR CA . 11385 1 344 . 1 1 34 34 TYR CB C 13 38.905 0.300 . 1 . . . . 34 TYR CB . 11385 1 345 . 1 1 34 34 TYR CD1 C 13 132.661 0.300 . 1 . . . . 34 TYR CD1 . 11385 1 346 . 1 1 34 34 TYR CD2 C 13 132.661 0.300 . 1 . . . . 34 TYR CD2 . 11385 1 347 . 1 1 34 34 TYR CE1 C 13 117.597 0.300 . 1 . . . . 34 TYR CE1 . 11385 1 348 . 1 1 34 34 TYR CE2 C 13 117.597 0.300 . 1 . . . . 34 TYR CE2 . 11385 1 349 . 1 1 34 34 TYR N N 15 116.136 0.300 . 1 . . . . 34 TYR N . 11385 1 350 . 1 1 35 35 TYR H H 1 8.060 0.030 . 1 . . . . 35 TYR H . 11385 1 351 . 1 1 35 35 TYR HA H 1 4.097 0.030 . 1 . . . . 35 TYR HA . 11385 1 352 . 1 1 35 35 TYR HB2 H 1 2.011 0.030 . 2 . . . . 35 TYR HB2 . 11385 1 353 . 1 1 35 35 TYR HB3 H 1 1.550 0.030 . 2 . . . . 35 TYR HB3 . 11385 1 354 . 1 1 35 35 TYR HD1 H 1 6.966 0.030 . 1 . . . . 35 TYR HD1 . 11385 1 355 . 1 1 35 35 TYR HD2 H 1 6.966 0.030 . 1 . . . . 35 TYR HD2 . 11385 1 356 . 1 1 35 35 TYR HE1 H 1 6.883 0.030 . 1 . . . . 35 TYR HE1 . 11385 1 357 . 1 1 35 35 TYR HE2 H 1 6.883 0.030 . 1 . . . . 35 TYR HE2 . 11385 1 358 . 1 1 35 35 TYR C C 13 176.624 0.300 . 1 . . . . 35 TYR C . 11385 1 359 . 1 1 35 35 TYR CA C 13 60.256 0.300 . 1 . . . . 35 TYR CA . 11385 1 360 . 1 1 35 35 TYR CB C 13 38.468 0.300 . 1 . . . . 35 TYR CB . 11385 1 361 . 1 1 35 35 TYR CD1 C 13 133.235 0.300 . 1 . . . . 35 TYR CD1 . 11385 1 362 . 1 1 35 35 TYR CD2 C 13 133.235 0.300 . 1 . . . . 35 TYR CD2 . 11385 1 363 . 1 1 35 35 TYR CE1 C 13 118.192 0.300 . 1 . . . . 35 TYR CE1 . 11385 1 364 . 1 1 35 35 TYR CE2 C 13 118.192 0.300 . 1 . . . . 35 TYR CE2 . 11385 1 365 . 1 1 35 35 TYR N N 15 113.682 0.300 . 1 . . . . 35 TYR N . 11385 1 366 . 1 1 36 36 HIS H H 1 7.724 0.030 . 1 . . . . 36 HIS H . 11385 1 367 . 1 1 36 36 HIS HA H 1 4.952 0.030 . 1 . . . . 36 HIS HA . 11385 1 368 . 1 1 36 36 HIS HB2 H 1 2.609 0.030 . 2 . . . . 36 HIS HB2 . 11385 1 369 . 1 1 36 36 HIS HB3 H 1 1.921 0.030 . 2 . . . . 36 HIS HB3 . 11385 1 370 . 1 1 36 36 HIS HD2 H 1 6.474 0.030 . 1 . . . . 36 HIS HD2 . 11385 1 371 . 1 1 36 36 HIS HE1 H 1 7.903 0.030 . 1 . . . . 36 HIS HE1 . 11385 1 372 . 1 1 36 36 HIS C C 13 174.243 0.300 . 1 . . . . 36 HIS C . 11385 1 373 . 1 1 36 36 HIS CA C 13 53.950 0.300 . 1 . . . . 36 HIS CA . 11385 1 374 . 1 1 36 36 HIS CB C 13 28.240 0.300 . 1 . . . . 36 HIS CB . 11385 1 375 . 1 1 36 36 HIS CD2 C 13 128.076 0.300 . 1 . . . . 36 HIS CD2 . 11385 1 376 . 1 1 36 36 HIS CE1 C 13 138.831 0.300 . 1 . . . . 36 HIS CE1 . 11385 1 377 . 1 1 36 36 HIS N N 15 115.419 0.300 . 1 . . . . 36 HIS N . 11385 1 378 . 1 1 37 37 THR H H 1 7.502 0.030 . 1 . . . . 37 THR H . 11385 1 379 . 1 1 37 37 THR HA H 1 4.310 0.030 . 1 . . . . 37 THR HA . 11385 1 380 . 1 1 37 37 THR HB H 1 4.169 0.030 . 1 . . . . 37 THR HB . 11385 1 381 . 1 1 37 37 THR HG21 H 1 0.965 0.030 . 1 . . . . 37 THR HG2 . 11385 1 382 . 1 1 37 37 THR HG22 H 1 0.965 0.030 . 1 . . . . 37 THR HG2 . 11385 1 383 . 1 1 37 37 THR HG23 H 1 0.965 0.030 . 1 . . . . 37 THR HG2 . 11385 1 384 . 1 1 37 37 THR C C 13 174.748 0.300 . 1 . . . . 37 THR C . 11385 1 385 . 1 1 37 37 THR CA C 13 61.692 0.300 . 1 . . . . 37 THR CA . 11385 1 386 . 1 1 37 37 THR CB C 13 70.177 0.300 . 1 . . . . 37 THR CB . 11385 1 387 . 1 1 37 37 THR CG2 C 13 21.701 0.300 . 1 . . . . 37 THR CG2 . 11385 1 388 . 1 1 37 37 THR N N 15 110.459 0.300 . 1 . . . . 37 THR N . 11385 1 389 . 1 1 38 38 GLY H H 1 8.298 0.030 . 1 . . . . 38 GLY H . 11385 1 390 . 1 1 38 38 GLY HA2 H 1 3.883 0.030 . 2 . . . . 38 GLY HA2 . 11385 1 391 . 1 1 38 38 GLY HA3 H 1 3.820 0.030 . 2 . . . . 38 GLY HA3 . 11385 1 392 . 1 1 38 38 GLY C C 13 173.921 0.300 . 1 . . . . 38 GLY C . 11385 1 393 . 1 1 38 38 GLY CA C 13 45.127 0.300 . 1 . . . . 38 GLY CA . 11385 1 394 . 1 1 38 38 GLY N N 15 110.732 0.300 . 1 . . . . 38 GLY N . 11385 1 395 . 1 1 39 39 GLU H H 1 8.119 0.030 . 1 . . . . 39 GLU H . 11385 1 396 . 1 1 39 39 GLU HA H 1 4.172 0.030 . 1 . . . . 39 GLU HA . 11385 1 397 . 1 1 39 39 GLU HB2 H 1 1.787 0.030 . 2 . . . . 39 GLU HB2 . 11385 1 398 . 1 1 39 39 GLU HB3 H 1 1.892 0.030 . 2 . . . . 39 GLU HB3 . 11385 1 399 . 1 1 39 39 GLU HG2 H 1 2.168 0.030 . 2 . . . . 39 GLU HG2 . 11385 1 400 . 1 1 39 39 GLU HG3 H 1 2.116 0.030 . 2 . . . . 39 GLU HG3 . 11385 1 401 . 1 1 39 39 GLU C C 13 176.108 0.300 . 1 . . . . 39 GLU C . 11385 1 402 . 1 1 39 39 GLU CA C 13 56.200 0.300 . 1 . . . . 39 GLU CA . 11385 1 403 . 1 1 39 39 GLU CB C 13 30.493 0.300 . 1 . . . . 39 GLU CB . 11385 1 404 . 1 1 39 39 GLU CG C 13 36.196 0.300 . 1 . . . . 39 GLU CG . 11385 1 405 . 1 1 39 39 GLU N N 15 120.612 0.300 . 1 . . . . 39 GLU N . 11385 1 406 . 1 1 40 40 LYS H H 1 8.317 0.030 . 1 . . . . 40 LYS H . 11385 1 407 . 1 1 40 40 LYS HA H 1 4.352 0.030 . 1 . . . . 40 LYS HA . 11385 1 408 . 1 1 40 40 LYS HB2 H 1 1.662 0.030 . 2 . . . . 40 LYS HB2 . 11385 1 409 . 1 1 40 40 LYS HB3 H 1 1.559 0.030 . 2 . . . . 40 LYS HB3 . 11385 1 410 . 1 1 40 40 LYS HD2 H 1 1.559 0.030 . 1 . . . . 40 LYS HD2 . 11385 1 411 . 1 1 40 40 LYS HD3 H 1 1.559 0.030 . 1 . . . . 40 LYS HD3 . 11385 1 412 . 1 1 40 40 LYS HE2 H 1 2.869 0.030 . 1 . . . . 40 LYS HE2 . 11385 1 413 . 1 1 40 40 LYS HE3 H 1 2.869 0.030 . 1 . . . . 40 LYS HE3 . 11385 1 414 . 1 1 40 40 LYS HG2 H 1 1.297 0.030 . 1 . . . . 40 LYS HG2 . 11385 1 415 . 1 1 40 40 LYS HG3 H 1 1.297 0.030 . 1 . . . . 40 LYS HG3 . 11385 1 416 . 1 1 40 40 LYS C C 13 174.305 0.300 . 1 . . . . 40 LYS C . 11385 1 417 . 1 1 40 40 LYS CA C 13 53.971 0.300 . 1 . . . . 40 LYS CA . 11385 1 418 . 1 1 40 40 LYS CB C 13 32.404 0.300 . 1 . . . . 40 LYS CB . 11385 1 419 . 1 1 40 40 LYS CD C 13 29.023 0.300 . 1 . . . . 40 LYS CD . 11385 1 420 . 1 1 40 40 LYS CE C 13 42.126 0.300 . 1 . . . . 40 LYS CE . 11385 1 421 . 1 1 40 40 LYS CG C 13 24.258 0.300 . 1 . . . . 40 LYS CG . 11385 1 422 . 1 1 40 40 LYS N N 15 123.657 0.300 . 1 . . . . 40 LYS N . 11385 1 423 . 1 1 41 41 PRO HA H 1 4.263 0.030 . 1 . . . . 41 PRO HA . 11385 1 424 . 1 1 41 41 PRO HB2 H 1 2.113 0.030 . 2 . . . . 41 PRO HB2 . 11385 1 425 . 1 1 41 41 PRO HB3 H 1 1.799 0.030 . 2 . . . . 41 PRO HB3 . 11385 1 426 . 1 1 41 41 PRO HD2 H 1 3.613 0.030 . 2 . . . . 41 PRO HD2 . 11385 1 427 . 1 1 41 41 PRO HD3 H 1 3.418 0.030 . 2 . . . . 41 PRO HD3 . 11385 1 428 . 1 1 41 41 PRO HG2 H 1 1.863 0.030 . 2 . . . . 41 PRO HG2 . 11385 1 429 . 1 1 41 41 PRO HG3 H 1 1.781 0.030 . 2 . . . . 41 PRO HG3 . 11385 1 430 . 1 1 41 41 PRO CA C 13 63.035 0.300 . 1 . . . . 41 PRO CA . 11385 1 431 . 1 1 41 41 PRO CB C 13 32.076 0.300 . 1 . . . . 41 PRO CB . 11385 1 432 . 1 1 41 41 PRO CD C 13 50.575 0.300 . 1 . . . . 41 PRO CD . 11385 1 433 . 1 1 41 41 PRO CG C 13 27.305 0.300 . 1 . . . . 41 PRO CG . 11385 1 stop_ save_