################################### # 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 11391 _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 11391 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11391 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 . . 11391 1 2 $NMRPipe . . 11391 1 3 $NMRView . . 11391 1 4 $Kujira . . 11391 1 5 $CYANA . . 11391 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.915 0.030 . 2 . . . . 7 GLY HA2 . 11391 1 2 . 1 1 7 7 GLY C C 13 173.976 0.300 . 1 . . . . 7 GLY C . 11391 1 3 . 1 1 7 7 GLY CA C 13 45.308 0.300 . 1 . . . . 7 GLY CA . 11391 1 4 . 1 1 8 8 GLU H H 1 8.218 0.030 . 1 . . . . 8 GLU H . 11391 1 5 . 1 1 8 8 GLU HA H 1 4.210 0.030 . 1 . . . . 8 GLU HA . 11391 1 6 . 1 1 8 8 GLU HB2 H 1 1.859 0.030 . 2 . . . . 8 GLU HB2 . 11391 1 7 . 1 1 8 8 GLU HB3 H 1 1.959 0.030 . 2 . . . . 8 GLU HB3 . 11391 1 8 . 1 1 8 8 GLU HG2 H 1 2.180 0.030 . 2 . . . . 8 GLU HG2 . 11391 1 9 . 1 1 8 8 GLU HG3 H 1 2.220 0.030 . 2 . . . . 8 GLU HG3 . 11391 1 10 . 1 1 8 8 GLU C C 13 176.184 0.300 . 1 . . . . 8 GLU C . 11391 1 11 . 1 1 8 8 GLU CA C 13 56.474 0.300 . 1 . . . . 8 GLU CA . 11391 1 12 . 1 1 8 8 GLU CB C 13 30.432 0.300 . 1 . . . . 8 GLU CB . 11391 1 13 . 1 1 8 8 GLU CG C 13 36.281 0.300 . 1 . . . . 8 GLU CG . 11391 1 14 . 1 1 8 8 GLU N N 15 120.707 0.300 . 1 . . . . 8 GLU N . 11391 1 15 . 1 1 9 9 LYS H H 1 8.311 0.030 . 1 . . . . 9 LYS H . 11391 1 16 . 1 1 9 9 LYS HA H 1 4.198 0.030 . 1 . . . . 9 LYS HA . 11391 1 17 . 1 1 9 9 LYS HB2 H 1 1.589 0.030 . 2 . . . . 9 LYS HB2 . 11391 1 18 . 1 1 9 9 LYS HB3 H 1 1.626 0.030 . 2 . . . . 9 LYS HB3 . 11391 1 19 . 1 1 9 9 LYS HD2 H 1 1.565 0.030 . 1 . . . . 9 LYS HD2 . 11391 1 20 . 1 1 9 9 LYS HD3 H 1 1.565 0.030 . 1 . . . . 9 LYS HD3 . 11391 1 21 . 1 1 9 9 LYS HE2 H 1 2.920 0.030 . 1 . . . . 9 LYS HE2 . 11391 1 22 . 1 1 9 9 LYS HE3 H 1 2.920 0.030 . 1 . . . . 9 LYS HE3 . 11391 1 23 . 1 1 9 9 LYS HG2 H 1 1.294 0.030 . 2 . . . . 9 LYS HG2 . 11391 1 24 . 1 1 9 9 LYS HG3 H 1 1.251 0.030 . 2 . . . . 9 LYS HG3 . 11391 1 25 . 1 1 9 9 LYS C C 13 175.526 0.300 . 1 . . . . 9 LYS C . 11391 1 26 . 1 1 9 9 LYS CA C 13 55.831 0.300 . 1 . . . . 9 LYS CA . 11391 1 27 . 1 1 9 9 LYS CB C 13 32.730 0.300 . 1 . . . . 9 LYS CB . 11391 1 28 . 1 1 9 9 LYS CD C 13 29.030 0.300 . 1 . . . . 9 LYS CD . 11391 1 29 . 1 1 9 9 LYS CE C 13 42.168 0.300 . 1 . . . . 9 LYS CE . 11391 1 30 . 1 1 9 9 LYS CG C 13 24.607 0.300 . 1 . . . . 9 LYS CG . 11391 1 31 . 1 1 9 9 LYS N N 15 122.806 0.300 . 1 . . . . 9 LYS N . 11391 1 32 . 1 1 10 10 LEU H H 1 7.990 0.030 . 1 . . . . 10 LEU H . 11391 1 33 . 1 1 10 10 LEU HA H 1 4.272 0.030 . 1 . . . . 10 LEU HA . 11391 1 34 . 1 1 10 10 LEU HB2 H 1 1.187 0.030 . 2 . . . . 10 LEU HB2 . 11391 1 35 . 1 1 10 10 LEU HB3 H 1 1.414 0.030 . 2 . . . . 10 LEU HB3 . 11391 1 36 . 1 1 10 10 LEU HD11 H 1 0.729 0.030 . 1 . . . . 10 LEU HD1 . 11391 1 37 . 1 1 10 10 LEU HD12 H 1 0.729 0.030 . 1 . . . . 10 LEU HD1 . 11391 1 38 . 1 1 10 10 LEU HD13 H 1 0.729 0.030 . 1 . . . . 10 LEU HD1 . 11391 1 39 . 1 1 10 10 LEU HD21 H 1 0.659 0.030 . 1 . . . . 10 LEU HD2 . 11391 1 40 . 1 1 10 10 LEU HD22 H 1 0.659 0.030 . 1 . . . . 10 LEU HD2 . 11391 1 41 . 1 1 10 10 LEU HD23 H 1 0.659 0.030 . 1 . . . . 10 LEU HD2 . 11391 1 42 . 1 1 10 10 LEU HG H 1 1.405 0.030 . 1 . . . . 10 LEU HG . 11391 1 43 . 1 1 10 10 LEU C C 13 176.308 0.300 . 1 . . . . 10 LEU C . 11391 1 44 . 1 1 10 10 LEU CA C 13 54.512 0.300 . 1 . . . . 10 LEU CA . 11391 1 45 . 1 1 10 10 LEU CB C 13 43.400 0.300 . 1 . . . . 10 LEU CB . 11391 1 46 . 1 1 10 10 LEU CD1 C 13 25.108 0.300 . 2 . . . . 10 LEU CD1 . 11391 1 47 . 1 1 10 10 LEU CD2 C 13 23.062 0.300 . 2 . . . . 10 LEU CD2 . 11391 1 48 . 1 1 10 10 LEU CG C 13 27.061 0.300 . 1 . . . . 10 LEU CG . 11391 1 49 . 1 1 10 10 LEU N N 15 122.099 0.300 . 1 . . . . 10 LEU N . 11391 1 50 . 1 1 11 11 HIS H H 1 8.473 0.030 . 1 . . . . 11 HIS H . 11391 1 51 . 1 1 11 11 HIS HA H 1 4.571 0.030 . 1 . . . . 11 HIS HA . 11391 1 52 . 1 1 11 11 HIS HB2 H 1 2.909 0.030 . 2 . . . . 11 HIS HB2 . 11391 1 53 . 1 1 11 11 HIS HB3 H 1 2.994 0.030 . 2 . . . . 11 HIS HB3 . 11391 1 54 . 1 1 11 11 HIS HD2 H 1 6.720 0.030 . 1 . . . . 11 HIS HD2 . 11391 1 55 . 1 1 11 11 HIS HE1 H 1 7.768 0.030 . 1 . . . . 11 HIS HE1 . 11391 1 56 . 1 1 11 11 HIS C C 13 174.793 0.300 . 1 . . . . 11 HIS C . 11391 1 57 . 1 1 11 11 HIS CA C 13 55.551 0.300 . 1 . . . . 11 HIS CA . 11391 1 58 . 1 1 11 11 HIS CB C 13 31.123 0.300 . 1 . . . . 11 HIS CB . 11391 1 59 . 1 1 11 11 HIS CD2 C 13 119.506 0.300 . 1 . . . . 11 HIS CD2 . 11391 1 60 . 1 1 11 11 HIS CE1 C 13 138.614 0.300 . 1 . . . . 11 HIS CE1 . 11391 1 61 . 1 1 11 11 HIS N N 15 120.743 0.300 . 1 . . . . 11 HIS N . 11391 1 62 . 1 1 12 12 GLU H H 1 8.682 0.030 . 1 . . . . 12 GLU H . 11391 1 63 . 1 1 12 12 GLU HA H 1 4.784 0.030 . 1 . . . . 12 GLU HA . 11391 1 64 . 1 1 12 12 GLU HB2 H 1 1.824 0.030 . 1 . . . . 12 GLU HB2 . 11391 1 65 . 1 1 12 12 GLU HB3 H 1 1.824 0.030 . 1 . . . . 12 GLU HB3 . 11391 1 66 . 1 1 12 12 GLU HG2 H 1 1.988 0.030 . 2 . . . . 12 GLU HG2 . 11391 1 67 . 1 1 12 12 GLU HG3 H 1 1.923 0.030 . 2 . . . . 12 GLU HG3 . 11391 1 68 . 1 1 12 12 GLU C C 13 175.224 0.300 . 1 . . . . 12 GLU C . 11391 1 69 . 1 1 12 12 GLU CA C 13 55.518 0.300 . 1 . . . . 12 GLU CA . 11391 1 70 . 1 1 12 12 GLU CB C 13 32.575 0.300 . 1 . . . . 12 GLU CB . 11391 1 71 . 1 1 12 12 GLU CG C 13 36.687 0.300 . 1 . . . . 12 GLU CG . 11391 1 72 . 1 1 12 12 GLU N N 15 125.026 0.300 . 1 . . . . 12 GLU N . 11391 1 73 . 1 1 13 13 CYS H H 1 9.227 0.030 . 1 . . . . 13 CYS H . 11391 1 74 . 1 1 13 13 CYS HA H 1 4.515 0.030 . 1 . . . . 13 CYS HA . 11391 1 75 . 1 1 13 13 CYS HB2 H 1 2.867 0.030 . 2 . . . . 13 CYS HB2 . 11391 1 76 . 1 1 13 13 CYS HB3 H 1 3.436 0.030 . 2 . . . . 13 CYS HB3 . 11391 1 77 . 1 1 13 13 CYS C C 13 176.909 0.300 . 1 . . . . 13 CYS C . 11391 1 78 . 1 1 13 13 CYS CA C 13 59.701 0.300 . 1 . . . . 13 CYS CA . 11391 1 79 . 1 1 13 13 CYS CB C 13 29.691 0.300 . 1 . . . . 13 CYS CB . 11391 1 80 . 1 1 13 13 CYS N N 15 126.142 0.300 . 1 . . . . 13 CYS N . 11391 1 81 . 1 1 14 14 ASN H H 1 9.280 0.030 . 1 . . . . 14 ASN H . 11391 1 82 . 1 1 14 14 ASN HA H 1 4.568 0.030 . 1 . . . . 14 ASN HA . 11391 1 83 . 1 1 14 14 ASN HB2 H 1 2.873 0.030 . 2 . . . . 14 ASN HB2 . 11391 1 84 . 1 1 14 14 ASN HB3 H 1 2.900 0.030 . 2 . . . . 14 ASN HB3 . 11391 1 85 . 1 1 14 14 ASN HD21 H 1 6.910 0.030 . 2 . . . . 14 ASN HD21 . 11391 1 86 . 1 1 14 14 ASN HD22 H 1 7.623 0.030 . 2 . . . . 14 ASN HD22 . 11391 1 87 . 1 1 14 14 ASN C C 13 174.909 0.300 . 1 . . . . 14 ASN C . 11391 1 88 . 1 1 14 14 ASN CA C 13 55.450 0.300 . 1 . . . . 14 ASN CA . 11391 1 89 . 1 1 14 14 ASN CB C 13 38.122 0.300 . 1 . . . . 14 ASN CB . 11391 1 90 . 1 1 14 14 ASN N N 15 129.873 0.300 . 1 . . . . 14 ASN N . 11391 1 91 . 1 1 14 14 ASN ND2 N 15 112.438 0.300 . 1 . . . . 14 ASN ND2 . 11391 1 92 . 1 1 15 15 ASN H H 1 8.847 0.030 . 1 . . . . 15 ASN H . 11391 1 93 . 1 1 15 15 ASN HA H 1 4.531 0.030 . 1 . . . . 15 ASN HA . 11391 1 94 . 1 1 15 15 ASN HB2 H 1 1.917 0.030 . 2 . . . . 15 ASN HB2 . 11391 1 95 . 1 1 15 15 ASN HB3 H 1 2.045 0.030 . 2 . . . . 15 ASN HB3 . 11391 1 96 . 1 1 15 15 ASN HD21 H 1 6.816 0.030 . 2 . . . . 15 ASN HD21 . 11391 1 97 . 1 1 15 15 ASN HD22 H 1 7.325 0.030 . 2 . . . . 15 ASN HD22 . 11391 1 98 . 1 1 15 15 ASN C C 13 175.897 0.300 . 1 . . . . 15 ASN C . 11391 1 99 . 1 1 15 15 ASN CA C 13 55.968 0.300 . 1 . . . . 15 ASN CA . 11391 1 100 . 1 1 15 15 ASN CB C 13 38.839 0.300 . 1 . . . . 15 ASN CB . 11391 1 101 . 1 1 15 15 ASN N N 15 119.332 0.300 . 1 . . . . 15 ASN N . 11391 1 102 . 1 1 15 15 ASN ND2 N 15 111.875 0.300 . 1 . . . . 15 ASN ND2 . 11391 1 103 . 1 1 16 16 CYS H H 1 7.856 0.030 . 1 . . . . 16 CYS H . 11391 1 104 . 1 1 16 16 CYS HA H 1 5.098 0.030 . 1 . . . . 16 CYS HA . 11391 1 105 . 1 1 16 16 CYS HB2 H 1 2.916 0.030 . 2 . . . . 16 CYS HB2 . 11391 1 106 . 1 1 16 16 CYS HB3 H 1 3.417 0.030 . 2 . . . . 16 CYS HB3 . 11391 1 107 . 1 1 16 16 CYS C C 13 176.070 0.300 . 1 . . . . 16 CYS C . 11391 1 108 . 1 1 16 16 CYS CA C 13 58.761 0.300 . 1 . . . . 16 CYS CA . 11391 1 109 . 1 1 16 16 CYS CB C 13 32.155 0.300 . 1 . . . . 16 CYS CB . 11391 1 110 . 1 1 16 16 CYS N N 15 114.454 0.300 . 1 . . . . 16 CYS N . 11391 1 111 . 1 1 17 17 GLY H H 1 8.214 0.030 . 1 . . . . 17 GLY H . 11391 1 112 . 1 1 17 17 GLY HA2 H 1 3.888 0.030 . 2 . . . . 17 GLY HA2 . 11391 1 113 . 1 1 17 17 GLY HA3 H 1 4.206 0.030 . 2 . . . . 17 GLY HA3 . 11391 1 114 . 1 1 17 17 GLY C C 13 173.845 0.300 . 1 . . . . 17 GLY C . 11391 1 115 . 1 1 17 17 GLY CA C 13 46.125 0.300 . 1 . . . . 17 GLY CA . 11391 1 116 . 1 1 17 17 GLY N N 15 113.084 0.300 . 1 . . . . 17 GLY N . 11391 1 117 . 1 1 18 18 LYS H H 1 7.978 0.030 . 1 . . . . 18 LYS H . 11391 1 118 . 1 1 18 18 LYS HA H 1 3.933 0.030 . 1 . . . . 18 LYS HA . 11391 1 119 . 1 1 18 18 LYS HB2 H 1 1.176 0.030 . 2 . . . . 18 LYS HB2 . 11391 1 120 . 1 1 18 18 LYS HB3 H 1 1.387 0.030 . 2 . . . . 18 LYS HB3 . 11391 1 121 . 1 1 18 18 LYS HD2 H 1 1.465 0.030 . 2 . . . . 18 LYS HD2 . 11391 1 122 . 1 1 18 18 LYS HD3 H 1 1.510 0.030 . 2 . . . . 18 LYS HD3 . 11391 1 123 . 1 1 18 18 LYS HE2 H 1 2.921 0.030 . 2 . . . . 18 LYS HE2 . 11391 1 124 . 1 1 18 18 LYS HE3 H 1 2.980 0.030 . 2 . . . . 18 LYS HE3 . 11391 1 125 . 1 1 18 18 LYS HG2 H 1 1.108 0.030 . 2 . . . . 18 LYS HG2 . 11391 1 126 . 1 1 18 18 LYS HG3 H 1 1.390 0.030 . 2 . . . . 18 LYS HG3 . 11391 1 127 . 1 1 18 18 LYS C C 13 173.756 0.300 . 1 . . . . 18 LYS C . 11391 1 128 . 1 1 18 18 LYS CA C 13 58.056 0.300 . 1 . . . . 18 LYS CA . 11391 1 129 . 1 1 18 18 LYS CB C 13 33.589 0.300 . 1 . . . . 18 LYS CB . 11391 1 130 . 1 1 18 18 LYS CD C 13 29.162 0.300 . 1 . . . . 18 LYS CD . 11391 1 131 . 1 1 18 18 LYS CE C 13 42.178 0.300 . 1 . . . . 18 LYS CE . 11391 1 132 . 1 1 18 18 LYS CG C 13 26.208 0.300 . 1 . . . . 18 LYS CG . 11391 1 133 . 1 1 18 18 LYS N N 15 123.000 0.300 . 1 . . . . 18 LYS N . 11391 1 134 . 1 1 19 19 ALA H H 1 7.779 0.030 . 1 . . . . 19 ALA H . 11391 1 135 . 1 1 19 19 ALA HA H 1 5.093 0.030 . 1 . . . . 19 ALA HA . 11391 1 136 . 1 1 19 19 ALA HB1 H 1 1.139 0.030 . 1 . . . . 19 ALA HB . 11391 1 137 . 1 1 19 19 ALA HB2 H 1 1.139 0.030 . 1 . . . . 19 ALA HB . 11391 1 138 . 1 1 19 19 ALA HB3 H 1 1.139 0.030 . 1 . . . . 19 ALA HB . 11391 1 139 . 1 1 19 19 ALA C C 13 176.360 0.300 . 1 . . . . 19 ALA C . 11391 1 140 . 1 1 19 19 ALA CA C 13 50.345 0.300 . 1 . . . . 19 ALA CA . 11391 1 141 . 1 1 19 19 ALA CB C 13 22.677 0.300 . 1 . . . . 19 ALA CB . 11391 1 142 . 1 1 19 19 ALA N N 15 123.400 0.300 . 1 . . . . 19 ALA N . 11391 1 143 . 1 1 20 20 PHE H H 1 8.513 0.030 . 1 . . . . 20 PHE H . 11391 1 144 . 1 1 20 20 PHE HA H 1 4.718 0.030 . 1 . . . . 20 PHE HA . 11391 1 145 . 1 1 20 20 PHE HB2 H 1 2.640 0.030 . 2 . . . . 20 PHE HB2 . 11391 1 146 . 1 1 20 20 PHE HB3 H 1 3.575 0.030 . 2 . . . . 20 PHE HB3 . 11391 1 147 . 1 1 20 20 PHE HD1 H 1 7.232 0.030 . 1 . . . . 20 PHE HD1 . 11391 1 148 . 1 1 20 20 PHE HD2 H 1 7.232 0.030 . 1 . . . . 20 PHE HD2 . 11391 1 149 . 1 1 20 20 PHE HE1 H 1 6.843 0.030 . 1 . . . . 20 PHE HE1 . 11391 1 150 . 1 1 20 20 PHE HE2 H 1 6.843 0.030 . 1 . . . . 20 PHE HE2 . 11391 1 151 . 1 1 20 20 PHE HZ H 1 6.306 0.030 . 1 . . . . 20 PHE HZ . 11391 1 152 . 1 1 20 20 PHE C C 13 175.760 0.300 . 1 . . . . 20 PHE C . 11391 1 153 . 1 1 20 20 PHE CA C 13 57.152 0.300 . 1 . . . . 20 PHE CA . 11391 1 154 . 1 1 20 20 PHE CB C 13 43.594 0.300 . 1 . . . . 20 PHE CB . 11391 1 155 . 1 1 20 20 PHE CD1 C 13 132.429 0.300 . 1 . . . . 20 PHE CD1 . 11391 1 156 . 1 1 20 20 PHE CD2 C 13 132.429 0.300 . 1 . . . . 20 PHE CD2 . 11391 1 157 . 1 1 20 20 PHE CE1 C 13 130.622 0.300 . 1 . . . . 20 PHE CE1 . 11391 1 158 . 1 1 20 20 PHE CE2 C 13 130.622 0.300 . 1 . . . . 20 PHE CE2 . 11391 1 159 . 1 1 20 20 PHE CZ C 13 128.728 0.300 . 1 . . . . 20 PHE CZ . 11391 1 160 . 1 1 20 20 PHE N N 15 117.126 0.300 . 1 . . . . 20 PHE N . 11391 1 161 . 1 1 21 21 SER H H 1 9.062 0.030 . 1 . . . . 21 SER H . 11391 1 162 . 1 1 21 21 SER HA H 1 4.366 0.030 . 1 . . . . 21 SER HA . 11391 1 163 . 1 1 21 21 SER HB2 H 1 3.381 0.030 . 2 . . . . 21 SER HB2 . 11391 1 164 . 1 1 21 21 SER HB3 H 1 3.619 0.030 . 2 . . . . 21 SER HB3 . 11391 1 165 . 1 1 21 21 SER C C 13 173.568 0.300 . 1 . . . . 21 SER C . 11391 1 166 . 1 1 21 21 SER CA C 13 61.485 0.300 . 1 . . . . 21 SER CA . 11391 1 167 . 1 1 21 21 SER CB C 13 63.480 0.300 . 1 . . . . 21 SER CB . 11391 1 168 . 1 1 21 21 SER N N 15 117.794 0.300 . 1 . . . . 21 SER N . 11391 1 169 . 1 1 22 22 PHE H H 1 7.721 0.030 . 1 . . . . 22 PHE H . 11391 1 170 . 1 1 22 22 PHE HA H 1 4.974 0.030 . 1 . . . . 22 PHE HA . 11391 1 171 . 1 1 22 22 PHE HB2 H 1 2.558 0.030 . 2 . . . . 22 PHE HB2 . 11391 1 172 . 1 1 22 22 PHE HB3 H 1 3.419 0.030 . 2 . . . . 22 PHE HB3 . 11391 1 173 . 1 1 22 22 PHE HD1 H 1 7.303 0.030 . 1 . . . . 22 PHE HD1 . 11391 1 174 . 1 1 22 22 PHE HD2 H 1 7.303 0.030 . 1 . . . . 22 PHE HD2 . 11391 1 175 . 1 1 22 22 PHE HE1 H 1 7.407 0.030 . 1 . . . . 22 PHE HE1 . 11391 1 176 . 1 1 22 22 PHE HE2 H 1 7.407 0.030 . 1 . . . . 22 PHE HE2 . 11391 1 177 . 1 1 22 22 PHE HZ H 1 7.348 0.030 . 1 . . . . 22 PHE HZ . 11391 1 178 . 1 1 22 22 PHE C C 13 176.048 0.300 . 1 . . . . 22 PHE C . 11391 1 179 . 1 1 22 22 PHE CA C 13 55.895 0.300 . 1 . . . . 22 PHE CA . 11391 1 180 . 1 1 22 22 PHE CB C 13 42.022 0.300 . 1 . . . . 22 PHE CB . 11391 1 181 . 1 1 22 22 PHE CD1 C 13 132.172 0.300 . 1 . . . . 22 PHE CD1 . 11391 1 182 . 1 1 22 22 PHE CD2 C 13 132.172 0.300 . 1 . . . . 22 PHE CD2 . 11391 1 183 . 1 1 22 22 PHE CE1 C 13 131.374 0.300 . 1 . . . . 22 PHE CE1 . 11391 1 184 . 1 1 22 22 PHE CE2 C 13 131.374 0.300 . 1 . . . . 22 PHE CE2 . 11391 1 185 . 1 1 22 22 PHE CZ C 13 129.972 0.300 . 1 . . . . 22 PHE CZ . 11391 1 186 . 1 1 22 22 PHE N N 15 115.376 0.300 . 1 . . . . 22 PHE N . 11391 1 187 . 1 1 23 23 LYS H H 1 8.858 0.030 . 1 . . . . 23 LYS H . 11391 1 188 . 1 1 23 23 LYS HA H 1 3.272 0.030 . 1 . . . . 23 LYS HA . 11391 1 189 . 1 1 23 23 LYS HB2 H 1 1.270 0.030 . 2 . . . . 23 LYS HB2 . 11391 1 190 . 1 1 23 23 LYS HB3 H 1 1.665 0.030 . 2 . . . . 23 LYS HB3 . 11391 1 191 . 1 1 23 23 LYS HD2 H 1 1.684 0.030 . 2 . . . . 23 LYS HD2 . 11391 1 192 . 1 1 23 23 LYS HD3 H 1 1.623 0.030 . 2 . . . . 23 LYS HD3 . 11391 1 193 . 1 1 23 23 LYS HE2 H 1 2.973 0.030 . 2 . . . . 23 LYS HE2 . 11391 1 194 . 1 1 23 23 LYS HE3 H 1 2.922 0.030 . 2 . . . . 23 LYS HE3 . 11391 1 195 . 1 1 23 23 LYS HG2 H 1 1.318 0.030 . 2 . . . . 23 LYS HG2 . 11391 1 196 . 1 1 23 23 LYS HG3 H 1 1.210 0.030 . 2 . . . . 23 LYS HG3 . 11391 1 197 . 1 1 23 23 LYS C C 13 178.097 0.300 . 1 . . . . 23 LYS C . 11391 1 198 . 1 1 23 23 LYS CA C 13 59.567 0.300 . 1 . . . . 23 LYS CA . 11391 1 199 . 1 1 23 23 LYS CB C 13 31.877 0.300 . 1 . . . . 23 LYS CB . 11391 1 200 . 1 1 23 23 LYS CD C 13 29.162 0.300 . 1 . . . . 23 LYS CD . 11391 1 201 . 1 1 23 23 LYS CE C 13 42.126 0.300 . 1 . . . . 23 LYS CE . 11391 1 202 . 1 1 23 23 LYS CG C 13 24.896 0.300 . 1 . . . . 23 LYS CG . 11391 1 203 . 1 1 23 23 LYS N N 15 126.797 0.300 . 1 . . . . 23 LYS N . 11391 1 204 . 1 1 24 24 SER H H 1 8.642 0.030 . 1 . . . . 24 SER H . 11391 1 205 . 1 1 24 24 SER HA H 1 3.927 0.030 . 1 . . . . 24 SER HA . 11391 1 206 . 1 1 24 24 SER HB2 H 1 3.826 0.030 . 2 . . . . 24 SER HB2 . 11391 1 207 . 1 1 24 24 SER HB3 H 1 3.842 0.030 . 2 . . . . 24 SER HB3 . 11391 1 208 . 1 1 24 24 SER C C 13 176.774 0.300 . 1 . . . . 24 SER C . 11391 1 209 . 1 1 24 24 SER CA C 13 61.070 0.300 . 1 . . . . 24 SER CA . 11391 1 210 . 1 1 24 24 SER CB C 13 61.436 0.300 . 1 . . . . 24 SER CB . 11391 1 211 . 1 1 24 24 SER N N 15 112.308 0.300 . 1 . . . . 24 SER N . 11391 1 212 . 1 1 25 25 GLN H H 1 6.812 0.030 . 1 . . . . 25 GLN H . 11391 1 213 . 1 1 25 25 GLN HA H 1 3.922 0.030 . 1 . . . . 25 GLN HA . 11391 1 214 . 1 1 25 25 GLN HB2 H 1 2.002 0.030 . 2 . . . . 25 GLN HB2 . 11391 1 215 . 1 1 25 25 GLN HB3 H 1 2.546 0.030 . 2 . . . . 25 GLN HB3 . 11391 1 216 . 1 1 25 25 GLN HE21 H 1 7.623 0.030 . 2 . . . . 25 GLN HE21 . 11391 1 217 . 1 1 25 25 GLN HE22 H 1 7.150 0.030 . 2 . . . . 25 GLN HE22 . 11391 1 218 . 1 1 25 25 GLN HG2 H 1 2.447 0.030 . 2 . . . . 25 GLN HG2 . 11391 1 219 . 1 1 25 25 GLN HG3 H 1 2.513 0.030 . 2 . . . . 25 GLN HG3 . 11391 1 220 . 1 1 25 25 GLN C C 13 178.582 0.300 . 1 . . . . 25 GLN C . 11391 1 221 . 1 1 25 25 GLN CA C 13 57.685 0.300 . 1 . . . . 25 GLN CA . 11391 1 222 . 1 1 25 25 GLN CB C 13 28.901 0.300 . 1 . . . . 25 GLN CB . 11391 1 223 . 1 1 25 25 GLN CG C 13 34.464 0.300 . 1 . . . . 25 GLN CG . 11391 1 224 . 1 1 25 25 GLN N N 15 119.109 0.300 . 1 . . . . 25 GLN N . 11391 1 225 . 1 1 25 25 GLN NE2 N 15 111.780 0.300 . 1 . . . . 25 GLN NE2 . 11391 1 226 . 1 1 26 26 LEU H H 1 7.045 0.030 . 1 . . . . 26 LEU H . 11391 1 227 . 1 1 26 26 LEU HA H 1 3.359 0.030 . 1 . . . . 26 LEU HA . 11391 1 228 . 1 1 26 26 LEU HB2 H 1 1.328 0.030 . 2 . . . . 26 LEU HB2 . 11391 1 229 . 1 1 26 26 LEU HB3 H 1 2.137 0.030 . 2 . . . . 26 LEU HB3 . 11391 1 230 . 1 1 26 26 LEU HD11 H 1 1.079 0.030 . 1 . . . . 26 LEU HD1 . 11391 1 231 . 1 1 26 26 LEU HD12 H 1 1.079 0.030 . 1 . . . . 26 LEU HD1 . 11391 1 232 . 1 1 26 26 LEU HD13 H 1 1.079 0.030 . 1 . . . . 26 LEU HD1 . 11391 1 233 . 1 1 26 26 LEU HD21 H 1 0.983 0.030 . 1 . . . . 26 LEU HD2 . 11391 1 234 . 1 1 26 26 LEU HD22 H 1 0.983 0.030 . 1 . . . . 26 LEU HD2 . 11391 1 235 . 1 1 26 26 LEU HD23 H 1 0.983 0.030 . 1 . . . . 26 LEU HD2 . 11391 1 236 . 1 1 26 26 LEU HG H 1 1.551 0.030 . 1 . . . . 26 LEU HG . 11391 1 237 . 1 1 26 26 LEU C C 13 177.338 0.300 . 1 . . . . 26 LEU C . 11391 1 238 . 1 1 26 26 LEU CA C 13 57.801 0.300 . 1 . . . . 26 LEU CA . 11391 1 239 . 1 1 26 26 LEU CB C 13 40.498 0.300 . 1 . . . . 26 LEU CB . 11391 1 240 . 1 1 26 26 LEU CD1 C 13 22.815 0.300 . 2 . . . . 26 LEU CD1 . 11391 1 241 . 1 1 26 26 LEU CD2 C 13 26.691 0.300 . 2 . . . . 26 LEU CD2 . 11391 1 242 . 1 1 26 26 LEU CG C 13 27.473 0.300 . 1 . . . . 26 LEU CG . 11391 1 243 . 1 1 26 26 LEU N N 15 122.109 0.300 . 1 . . . . 26 LEU N . 11391 1 244 . 1 1 27 27 ILE H H 1 8.033 0.030 . 1 . . . . 27 ILE H . 11391 1 245 . 1 1 27 27 ILE HA H 1 3.719 0.030 . 1 . . . . 27 ILE HA . 11391 1 246 . 1 1 27 27 ILE HB H 1 1.792 0.030 . 1 . . . . 27 ILE HB . 11391 1 247 . 1 1 27 27 ILE HD11 H 1 0.779 0.030 . 1 . . . . 27 ILE HD1 . 11391 1 248 . 1 1 27 27 ILE HD12 H 1 0.779 0.030 . 1 . . . . 27 ILE HD1 . 11391 1 249 . 1 1 27 27 ILE HD13 H 1 0.779 0.030 . 1 . . . . 27 ILE HD1 . 11391 1 250 . 1 1 27 27 ILE HG12 H 1 1.545 0.030 . 2 . . . . 27 ILE HG12 . 11391 1 251 . 1 1 27 27 ILE HG13 H 1 1.227 0.030 . 2 . . . . 27 ILE HG13 . 11391 1 252 . 1 1 27 27 ILE HG21 H 1 0.857 0.030 . 1 . . . . 27 ILE HG2 . 11391 1 253 . 1 1 27 27 ILE HG22 H 1 0.857 0.030 . 1 . . . . 27 ILE HG2 . 11391 1 254 . 1 1 27 27 ILE HG23 H 1 0.857 0.030 . 1 . . . . 27 ILE HG2 . 11391 1 255 . 1 1 27 27 ILE C C 13 178.875 0.300 . 1 . . . . 27 ILE C . 11391 1 256 . 1 1 27 27 ILE CA C 13 64.669 0.300 . 1 . . . . 27 ILE CA . 11391 1 257 . 1 1 27 27 ILE CB C 13 37.659 0.300 . 1 . . . . 27 ILE CB . 11391 1 258 . 1 1 27 27 ILE CD1 C 13 12.647 0.300 . 1 . . . . 27 ILE CD1 . 11391 1 259 . 1 1 27 27 ILE CG1 C 13 28.825 0.300 . 1 . . . . 27 ILE CG1 . 11391 1 260 . 1 1 27 27 ILE CG2 C 13 17.156 0.300 . 1 . . . . 27 ILE CG2 . 11391 1 261 . 1 1 27 27 ILE N N 15 118.953 0.300 . 1 . . . . 27 ILE N . 11391 1 262 . 1 1 28 28 ILE H H 1 7.144 0.030 . 1 . . . . 28 ILE H . 11391 1 263 . 1 1 28 28 ILE HA H 1 3.584 0.030 . 1 . . . . 28 ILE HA . 11391 1 264 . 1 1 28 28 ILE HB H 1 1.675 0.030 . 1 . . . . 28 ILE HB . 11391 1 265 . 1 1 28 28 ILE HD11 H 1 0.795 0.030 . 1 . . . . 28 ILE HD1 . 11391 1 266 . 1 1 28 28 ILE HD12 H 1 0.795 0.030 . 1 . . . . 28 ILE HD1 . 11391 1 267 . 1 1 28 28 ILE HD13 H 1 0.795 0.030 . 1 . . . . 28 ILE HD1 . 11391 1 268 . 1 1 28 28 ILE HG12 H 1 1.625 0.030 . 2 . . . . 28 ILE HG12 . 11391 1 269 . 1 1 28 28 ILE HG13 H 1 1.135 0.030 . 2 . . . . 28 ILE HG13 . 11391 1 270 . 1 1 28 28 ILE HG21 H 1 0.869 0.030 . 1 . . . . 28 ILE HG2 . 11391 1 271 . 1 1 28 28 ILE HG22 H 1 0.869 0.030 . 1 . . . . 28 ILE HG2 . 11391 1 272 . 1 1 28 28 ILE HG23 H 1 0.869 0.030 . 1 . . . . 28 ILE HG2 . 11391 1 273 . 1 1 28 28 ILE C C 13 178.847 0.300 . 1 . . . . 28 ILE C . 11391 1 274 . 1 1 28 28 ILE CA C 13 64.690 0.300 . 1 . . . . 28 ILE CA . 11391 1 275 . 1 1 28 28 ILE CB C 13 38.334 0.300 . 1 . . . . 28 ILE CB . 11391 1 276 . 1 1 28 28 ILE CD1 C 13 12.689 0.300 . 1 . . . . 28 ILE CD1 . 11391 1 277 . 1 1 28 28 ILE CG1 C 13 29.194 0.300 . 1 . . . . 28 ILE CG1 . 11391 1 278 . 1 1 28 28 ILE CG2 C 13 17.194 0.300 . 1 . . . . 28 ILE CG2 . 11391 1 279 . 1 1 28 28 ILE N N 15 118.851 0.300 . 1 . . . . 28 ILE N . 11391 1 280 . 1 1 29 29 HIS H H 1 7.656 0.030 . 1 . . . . 29 HIS H . 11391 1 281 . 1 1 29 29 HIS HA H 1 4.156 0.030 . 1 . . . . 29 HIS HA . 11391 1 282 . 1 1 29 29 HIS HB2 H 1 2.845 0.030 . 2 . . . . 29 HIS HB2 . 11391 1 283 . 1 1 29 29 HIS HB3 H 1 3.148 0.030 . 2 . . . . 29 HIS HB3 . 11391 1 284 . 1 1 29 29 HIS HD2 H 1 6.996 0.030 . 1 . . . . 29 HIS HD2 . 11391 1 285 . 1 1 29 29 HIS HE1 H 1 8.042 0.030 . 1 . . . . 29 HIS HE1 . 11391 1 286 . 1 1 29 29 HIS C C 13 176.242 0.300 . 1 . . . . 29 HIS C . 11391 1 287 . 1 1 29 29 HIS CA C 13 59.397 0.300 . 1 . . . . 29 HIS CA . 11391 1 288 . 1 1 29 29 HIS CB C 13 28.574 0.300 . 1 . . . . 29 HIS CB . 11391 1 289 . 1 1 29 29 HIS CD2 C 13 127.249 0.300 . 1 . . . . 29 HIS CD2 . 11391 1 290 . 1 1 29 29 HIS CE1 C 13 139.641 0.300 . 1 . . . . 29 HIS CE1 . 11391 1 291 . 1 1 29 29 HIS N N 15 120.252 0.300 . 1 . . . . 29 HIS N . 11391 1 292 . 1 1 30 30 GLN H H 1 8.499 0.030 . 1 . . . . 30 GLN H . 11391 1 293 . 1 1 30 30 GLN HA H 1 3.700 0.030 . 1 . . . . 30 GLN HA . 11391 1 294 . 1 1 30 30 GLN HB2 H 1 2.231 0.030 . 2 . . . . 30 GLN HB2 . 11391 1 295 . 1 1 30 30 GLN HB3 H 1 2.311 0.030 . 2 . . . . 30 GLN HB3 . 11391 1 296 . 1 1 30 30 GLN HE21 H 1 6.958 0.030 . 2 . . . . 30 GLN HE21 . 11391 1 297 . 1 1 30 30 GLN HE22 H 1 7.495 0.030 . 2 . . . . 30 GLN HE22 . 11391 1 298 . 1 1 30 30 GLN HG2 H 1 2.849 0.030 . 2 . . . . 30 GLN HG2 . 11391 1 299 . 1 1 30 30 GLN HG3 H 1 2.897 0.030 . 2 . . . . 30 GLN HG3 . 11391 1 300 . 1 1 30 30 GLN C C 13 177.413 0.300 . 1 . . . . 30 GLN C . 11391 1 301 . 1 1 30 30 GLN CA C 13 59.396 0.300 . 1 . . . . 30 GLN CA . 11391 1 302 . 1 1 30 30 GLN CB C 13 28.332 0.300 . 1 . . . . 30 GLN CB . 11391 1 303 . 1 1 30 30 GLN CG C 13 35.799 0.300 . 1 . . . . 30 GLN CG . 11391 1 304 . 1 1 30 30 GLN N N 15 114.669 0.300 . 1 . . . . 30 GLN N . 11391 1 305 . 1 1 30 30 GLN NE2 N 15 112.144 0.300 . 1 . . . . 30 GLN NE2 . 11391 1 306 . 1 1 31 31 ARG H H 1 7.224 0.030 . 1 . . . . 31 ARG H . 11391 1 307 . 1 1 31 31 ARG HA H 1 4.140 0.030 . 1 . . . . 31 ARG HA . 11391 1 308 . 1 1 31 31 ARG HB2 H 1 1.775 0.030 . 2 . . . . 31 ARG HB2 . 11391 1 309 . 1 1 31 31 ARG HB3 H 1 1.902 0.030 . 2 . . . . 31 ARG HB3 . 11391 1 310 . 1 1 31 31 ARG HD2 H 1 3.161 0.030 . 2 . . . . 31 ARG HD2 . 11391 1 311 . 1 1 31 31 ARG HD3 H 1 3.191 0.030 . 2 . . . . 31 ARG HD3 . 11391 1 312 . 1 1 31 31 ARG HG2 H 1 1.651 0.030 . 2 . . . . 31 ARG HG2 . 11391 1 313 . 1 1 31 31 ARG HG3 H 1 1.905 0.030 . 2 . . . . 31 ARG HG3 . 11391 1 314 . 1 1 31 31 ARG C C 13 178.692 0.300 . 1 . . . . 31 ARG C . 11391 1 315 . 1 1 31 31 ARG CA C 13 58.654 0.300 . 1 . . . . 31 ARG CA . 11391 1 316 . 1 1 31 31 ARG CB C 13 30.079 0.300 . 1 . . . . 31 ARG CB . 11391 1 317 . 1 1 31 31 ARG CD C 13 43.783 0.300 . 1 . . . . 31 ARG CD . 11391 1 318 . 1 1 31 31 ARG CG C 13 27.789 0.300 . 1 . . . . 31 ARG CG . 11391 1 319 . 1 1 31 31 ARG N N 15 118.172 0.300 . 1 . . . . 31 ARG N . 11391 1 320 . 1 1 32 32 ILE H H 1 7.838 0.030 . 1 . . . . 32 ILE H . 11391 1 321 . 1 1 32 32 ILE HA H 1 3.973 0.030 . 1 . . . . 32 ILE HA . 11391 1 322 . 1 1 32 32 ILE HB H 1 1.649 0.030 . 1 . . . . 32 ILE HB . 11391 1 323 . 1 1 32 32 ILE HD11 H 1 0.691 0.030 . 1 . . . . 32 ILE HD1 . 11391 1 324 . 1 1 32 32 ILE HD12 H 1 0.691 0.030 . 1 . . . . 32 ILE HD1 . 11391 1 325 . 1 1 32 32 ILE HD13 H 1 0.691 0.030 . 1 . . . . 32 ILE HD1 . 11391 1 326 . 1 1 32 32 ILE HG12 H 1 0.892 0.030 . 2 . . . . 32 ILE HG12 . 11391 1 327 . 1 1 32 32 ILE HG13 H 1 0.688 0.030 . 2 . . . . 32 ILE HG13 . 11391 1 328 . 1 1 32 32 ILE HG21 H 1 0.565 0.030 . 1 . . . . 32 ILE HG2 . 11391 1 329 . 1 1 32 32 ILE HG22 H 1 0.565 0.030 . 1 . . . . 32 ILE HG2 . 11391 1 330 . 1 1 32 32 ILE HG23 H 1 0.565 0.030 . 1 . . . . 32 ILE HG2 . 11391 1 331 . 1 1 32 32 ILE C C 13 177.339 0.300 . 1 . . . . 32 ILE C . 11391 1 332 . 1 1 32 32 ILE CA C 13 63.137 0.300 . 1 . . . . 32 ILE CA . 11391 1 333 . 1 1 32 32 ILE CB C 13 37.783 0.300 . 1 . . . . 32 ILE CB . 11391 1 334 . 1 1 32 32 ILE CD1 C 13 14.522 0.300 . 1 . . . . 32 ILE CD1 . 11391 1 335 . 1 1 32 32 ILE CG1 C 13 26.494 0.300 . 1 . . . . 32 ILE CG1 . 11391 1 336 . 1 1 32 32 ILE CG2 C 13 16.359 0.300 . 1 . . . . 32 ILE CG2 . 11391 1 337 . 1 1 32 32 ILE N N 15 115.834 0.300 . 1 . . . . 32 ILE N . 11391 1 338 . 1 1 33 33 HIS H H 1 7.225 0.030 . 1 . . . . 33 HIS H . 11391 1 339 . 1 1 33 33 HIS HA H 1 4.872 0.030 . 1 . . . . 33 HIS HA . 11391 1 340 . 1 1 33 33 HIS HB2 H 1 3.235 0.030 . 1 . . . . 33 HIS HB2 . 11391 1 341 . 1 1 33 33 HIS HB3 H 1 3.235 0.030 . 1 . . . . 33 HIS HB3 . 11391 1 342 . 1 1 33 33 HIS HD2 H 1 6.814 0.030 . 1 . . . . 33 HIS HD2 . 11391 1 343 . 1 1 33 33 HIS HE1 H 1 8.044 0.030 . 1 . . . . 33 HIS HE1 . 11391 1 344 . 1 1 33 33 HIS C C 13 175.760 0.300 . 1 . . . . 33 HIS C . 11391 1 345 . 1 1 33 33 HIS CA C 13 55.012 0.300 . 1 . . . . 33 HIS CA . 11391 1 346 . 1 1 33 33 HIS CB C 13 28.493 0.300 . 1 . . . . 33 HIS CB . 11391 1 347 . 1 1 33 33 HIS CD2 C 13 127.907 0.300 . 1 . . . . 33 HIS CD2 . 11391 1 348 . 1 1 33 33 HIS CE1 C 13 140.540 0.300 . 1 . . . . 33 HIS CE1 . 11391 1 349 . 1 1 33 33 HIS N N 15 117.280 0.300 . 1 . . . . 33 HIS N . 11391 1 350 . 1 1 34 34 THR H H 1 7.726 0.030 . 1 . . . . 34 THR H . 11391 1 351 . 1 1 34 34 THR HA H 1 4.325 0.030 . 1 . . . . 34 THR HA . 11391 1 352 . 1 1 34 34 THR HB H 1 4.311 0.030 . 1 . . . . 34 THR HB . 11391 1 353 . 1 1 34 34 THR HG21 H 1 1.241 0.030 . 1 . . . . 34 THR HG2 . 11391 1 354 . 1 1 34 34 THR HG22 H 1 1.241 0.030 . 1 . . . . 34 THR HG2 . 11391 1 355 . 1 1 34 34 THR HG23 H 1 1.241 0.030 . 1 . . . . 34 THR HG2 . 11391 1 356 . 1 1 34 34 THR C C 13 175.504 0.300 . 1 . . . . 34 THR C . 11391 1 357 . 1 1 34 34 THR CA C 13 62.668 0.300 . 1 . . . . 34 THR CA . 11391 1 358 . 1 1 34 34 THR CB C 13 69.820 0.300 . 1 . . . . 34 THR CB . 11391 1 359 . 1 1 34 34 THR CG2 C 13 21.625 0.300 . 1 . . . . 34 THR CG2 . 11391 1 360 . 1 1 34 34 THR N N 15 112.073 0.300 . 1 . . . . 34 THR N . 11391 1 361 . 1 1 35 35 GLY H H 1 8.271 0.030 . 1 . . . . 35 GLY H . 11391 1 362 . 1 1 35 35 GLY HA2 H 1 3.940 0.030 . 2 . . . . 35 GLY HA2 . 11391 1 363 . 1 1 35 35 GLY HA3 H 1 4.034 0.030 . 2 . . . . 35 GLY HA3 . 11391 1 364 . 1 1 35 35 GLY C C 13 174.349 0.300 . 1 . . . . 35 GLY C . 11391 1 365 . 1 1 35 35 GLY CA C 13 45.462 0.300 . 1 . . . . 35 GLY CA . 11391 1 366 . 1 1 35 35 GLY N N 15 110.900 0.300 . 1 . . . . 35 GLY N . 11391 1 367 . 1 1 36 36 GLU H H 1 8.095 0.030 . 1 . . . . 36 GLU H . 11391 1 368 . 1 1 36 36 GLU HA H 1 4.313 0.030 . 1 . . . . 36 GLU HA . 11391 1 369 . 1 1 36 36 GLU HB2 H 1 2.069 0.030 . 2 . . . . 36 GLU HB2 . 11391 1 370 . 1 1 36 36 GLU HB3 H 1 1.936 0.030 . 2 . . . . 36 GLU HB3 . 11391 1 371 . 1 1 36 36 GLU HG2 H 1 2.260 0.030 . 1 . . . . 36 GLU HG2 . 11391 1 372 . 1 1 36 36 GLU HG3 H 1 2.260 0.030 . 1 . . . . 36 GLU HG3 . 11391 1 373 . 1 1 36 36 GLU C C 13 176.548 0.300 . 1 . . . . 36 GLU C . 11391 1 374 . 1 1 36 36 GLU CA C 13 56.649 0.300 . 1 . . . . 36 GLU CA . 11391 1 375 . 1 1 36 36 GLU CB C 13 30.544 0.300 . 1 . . . . 36 GLU CB . 11391 1 376 . 1 1 36 36 GLU CG C 13 36.333 0.300 . 1 . . . . 36 GLU CG . 11391 1 377 . 1 1 36 36 GLU N N 15 120.561 0.300 . 1 . . . . 36 GLU N . 11391 1 378 . 1 1 37 37 SER H H 1 8.370 0.030 . 1 . . . . 37 SER H . 11391 1 379 . 1 1 37 37 SER HA H 1 4.485 0.030 . 1 . . . . 37 SER HA . 11391 1 380 . 1 1 37 37 SER HB2 H 1 3.857 0.030 . 2 . . . . 37 SER HB2 . 11391 1 381 . 1 1 37 37 SER HB3 H 1 3.901 0.030 . 2 . . . . 37 SER HB3 . 11391 1 382 . 1 1 37 37 SER C C 13 174.537 0.300 . 1 . . . . 37 SER C . 11391 1 383 . 1 1 37 37 SER CA C 13 58.418 0.300 . 1 . . . . 37 SER CA . 11391 1 384 . 1 1 37 37 SER CB C 13 64.002 0.300 . 1 . . . . 37 SER CB . 11391 1 385 . 1 1 37 37 SER N N 15 116.592 0.300 . 1 . . . . 37 SER N . 11391 1 386 . 1 1 38 38 GLY H H 1 8.206 0.030 . 1 . . . . 38 GLY H . 11391 1 387 . 1 1 38 38 GLY HA2 H 1 4.068 0.030 . 2 . . . . 38 GLY HA2 . 11391 1 388 . 1 1 38 38 GLY HA3 H 1 4.148 0.030 . 2 . . . . 38 GLY HA3 . 11391 1 389 . 1 1 38 38 GLY C C 13 171.666 0.300 . 1 . . . . 38 GLY C . 11391 1 390 . 1 1 38 38 GLY CA C 13 44.670 0.300 . 1 . . . . 38 GLY CA . 11391 1 391 . 1 1 38 38 GLY N N 15 110.550 0.300 . 1 . . . . 38 GLY N . 11391 1 392 . 1 1 39 39 PRO HD2 H 1 3.614 0.030 . 1 . . . . 39 PRO HD2 . 11391 1 393 . 1 1 39 39 PRO HD3 H 1 3.614 0.030 . 1 . . . . 39 PRO HD3 . 11391 1 394 . 1 1 39 39 PRO CD C 13 49.764 0.300 . 1 . . . . 39 PRO CD . 11391 1 stop_ save_