################################### # 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 20027 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 20027 1 2 '2D 1H-13C HSQC' . . . 20027 1 3 '3D CBCA(CO)NH' . . . 20027 1 4 '3D C(CO)NH' . . . 20027 1 5 '3D HNCO' . . . 20027 1 6 '3D HNCACB' . . . 20027 1 7 '3D HBHA(CO)NH' . . . 20027 1 8 '3D H(CCO)NH' . . . 20027 1 9 '3D HCCH-TOCSY' . . . 20027 1 10 '3D 1H-13C NOESY' . . . 20027 1 11 '3D 1H-15N NOESY' . . . 20027 1 12 '3D HN(CO)CA' . . . 20027 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 $PISTACHIO . . 20027 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 1 1 VAL HA H 1 3.720 0.000 . 1 . . . . 1 VAL HA . 20027 1 2 . 1 1 1 1 VAL HB H 1 2.022 0.000 . 1 . . . . 1 VAL HB . 20027 1 3 . 1 1 1 1 VAL HG11 H 1 0.827 0.000 . . . . . . 1 VAL QG1 . 20027 1 4 . 1 1 1 1 VAL HG12 H 1 0.827 0.000 . . . . . . 1 VAL QG1 . 20027 1 5 . 1 1 1 1 VAL HG13 H 1 0.827 0.000 . . . . . . 1 VAL QG1 . 20027 1 6 . 1 1 1 1 VAL HG21 H 1 0.836 0.000 . . . . . . 1 VAL QG2 . 20027 1 7 . 1 1 1 1 VAL HG22 H 1 0.836 0.000 . . . . . . 1 VAL QG2 . 20027 1 8 . 1 1 1 1 VAL HG23 H 1 0.836 0.000 . . . . . . 1 VAL QG2 . 20027 1 9 . 1 1 1 1 VAL CA C 13 61.135 0.039 . 1 . . . . 1 VAL CA . 20027 1 10 . 1 1 1 1 VAL CB C 13 32.614 0.031 . 1 . . . . 1 VAL CB . 20027 1 11 . 1 1 1 1 VAL CG1 C 13 19.913 0.011 . 2 . . . . 1 VAL CG1 . 20027 1 12 . 1 1 1 1 VAL CG2 C 13 20.832 0.005 . 2 . . . . 1 VAL CG2 . 20027 1 13 . 1 1 2 2 ALA H H 1 8.272 0.003 . 1 . . . . 2 ALA HN . 20027 1 14 . 1 1 2 2 ALA HA H 1 4.302 0.000 . 1 . . . . 2 ALA HA . 20027 1 15 . 1 1 2 2 ALA HB1 H 1 1.240 0.000 . . . . . . 2 ALA QB . 20027 1 16 . 1 1 2 2 ALA HB2 H 1 1.240 0.000 . . . . . . 2 ALA QB . 20027 1 17 . 1 1 2 2 ALA HB3 H 1 1.240 0.000 . . . . . . 2 ALA QB . 20027 1 18 . 1 1 2 2 ALA CA C 13 52.506 0.040 . 1 . . . . 2 ALA CA . 20027 1 19 . 1 1 2 2 ALA CB C 13 19.365 0.049 . 1 . . . . 2 ALA CB . 20027 1 20 . 1 1 2 2 ALA N N 15 127.170 0.000 . 1 . . . . 2 ALA N . 20027 1 21 . 1 1 3 3 PHE H H 1 7.762 0.003 . 1 . . . . 3 PHE HN . 20027 1 22 . 1 1 3 3 PHE HA H 1 4.511 0.000 . 1 . . . . 3 PHE HA . 20027 1 23 . 1 1 3 3 PHE HB2 H 1 2.979 0.003 . 2 . . . . 3 PHE HB2 . 20027 1 24 . 1 1 3 3 PHE HB3 H 1 3.059 0.001 . 2 . . . . 3 PHE HB3 . 20027 1 25 . 1 1 3 3 PHE CA C 13 58.032 0.020 . 1 . . . . 3 PHE CA . 20027 1 26 . 1 1 3 3 PHE CB C 13 39.585 0.038 . 1 . . . . 3 PHE CB . 20027 1 27 . 1 1 3 3 PHE N N 15 118.373 0.000 . 1 . . . . 3 PHE N . 20027 1 28 . 1 1 4 4 ALA H H 1 8.056 0.003 . 1 . . . . 4 ALA HN . 20027 1 29 . 1 1 4 4 ALA HA H 1 4.157 0.000 . 1 . . . . 4 ALA HA . 20027 1 30 . 1 1 4 4 ALA HB1 H 1 1.290 0.000 . . . . . . 4 ALA QB . 20027 1 31 . 1 1 4 4 ALA HB2 H 1 1.290 0.000 . . . . . . 4 ALA QB . 20027 1 32 . 1 1 4 4 ALA HB3 H 1 1.290 0.000 . . . . . . 4 ALA QB . 20027 1 33 . 1 1 4 4 ALA CA C 13 53.389 0.037 . 1 . . . . 4 ALA CA . 20027 1 34 . 1 1 4 4 ALA CB C 13 19.176 0.035 . 1 . . . . 4 ALA CB . 20027 1 35 . 1 1 4 4 ALA N N 15 124.145 0.000 . 1 . . . . 4 ALA N . 20027 1 36 . 1 1 5 5 LEU H H 1 7.788 0.003 . 1 . . . . 5 LEU HN . 20027 1 37 . 1 1 5 5 LEU HA H 1 4.247 0.000 . 1 . . . . 5 LEU HA . 20027 1 38 . 1 1 5 5 LEU HB2 H 1 1.551 0.000 . 2 . . . . 5 LEU HB2 . 20027 1 39 . 1 1 5 5 LEU HB3 H 1 1.673 0.000 . 2 . . . . 5 LEU HB3 . 20027 1 40 . 1 1 5 5 LEU HD11 H 1 0.832 0.000 . . . . . . 5 LEU QD1 . 20027 1 41 . 1 1 5 5 LEU HD12 H 1 0.832 0.000 . . . . . . 5 LEU QD1 . 20027 1 42 . 1 1 5 5 LEU HD13 H 1 0.832 0.000 . . . . . . 5 LEU QD1 . 20027 1 43 . 1 1 5 5 LEU HD21 H 1 0.823 0.000 . . . . . . 5 LEU QD2 . 20027 1 44 . 1 1 5 5 LEU HD22 H 1 0.823 0.000 . . . . . . 5 LEU QD2 . 20027 1 45 . 1 1 5 5 LEU HD23 H 1 0.823 0.000 . . . . . . 5 LEU QD2 . 20027 1 46 . 1 1 5 5 LEU CA C 13 56.255 0.047 . 1 . . . . 5 LEU CA . 20027 1 47 . 1 1 5 5 LEU CB C 13 42.243 0.066 . 1 . . . . 5 LEU CB . 20027 1 48 . 1 1 5 5 LEU CD1 C 13 24.262 0.044 . 2 . . . . 5 LEU CD1 . 20027 1 49 . 1 1 5 5 LEU CD2 C 13 25.180 0.027 . 2 . . . . 5 LEU CD2 . 20027 1 50 . 1 1 5 5 LEU CG C 13 27.372 0.000 . 1 . . . . 5 LEU CG . 20027 1 51 . 1 1 5 5 LEU N N 15 119.240 0.000 . 1 . . . . 5 LEU N . 20027 1 52 . 1 1 6 6 THR H H 1 7.925 0.004 . 1 . . . . 6 THR HN . 20027 1 53 . 1 1 6 6 THR HA H 1 4.026 0.000 . 1 . . . . 6 THR HA . 20027 1 54 . 1 1 6 6 THR HB H 1 4.147 0.000 . 1 . . . . 6 THR HB . 20027 1 55 . 1 1 6 6 THR HG21 H 1 1.132 0.000 . . . . . . 6 THR QG2 . 20027 1 56 . 1 1 6 6 THR HG22 H 1 1.132 0.000 . . . . . . 6 THR QG2 . 20027 1 57 . 1 1 6 6 THR HG23 H 1 1.132 0.000 . . . . . . 6 THR QG2 . 20027 1 58 . 1 1 6 6 THR CA C 13 63.692 0.053 . 1 . . . . 6 THR CA . 20027 1 59 . 1 1 6 6 THR CB C 13 69.166 0.080 . 1 . . . . 6 THR CB . 20027 1 60 . 1 1 6 6 THR CG2 C 13 22.071 0.008 . 1 . . . . 6 THR CG2 . 20027 1 61 . 1 1 6 6 THR N N 15 112.787 0.000 . 1 . . . . 6 THR N . 20027 1 62 . 1 1 7 7 LEU H H 1 7.829 0.004 . 1 . . . . 7 LEU HN . 20027 1 63 . 1 1 7 7 LEU HA H 1 4.055 0.000 . 1 . . . . 7 LEU HA . 20027 1 64 . 1 1 7 7 LEU HB2 H 1 1.573 0.000 . 2 . . . . 7 LEU HB2 . 20027 1 65 . 1 1 7 7 LEU HB3 H 1 1.755 0.000 . 2 . . . . 7 LEU HB3 . 20027 1 66 . 1 1 7 7 LEU CA C 13 56.815 0.052 . 1 . . . . 7 LEU CA . 20027 1 67 . 1 1 7 7 LEU CB C 13 41.533 0.041 . 1 . . . . 7 LEU CB . 20027 1 68 . 1 1 7 7 LEU CD1 C 13 23.696 0.000 . 2 . . . . 7 LEU CD1 . 20027 1 69 . 1 1 7 7 LEU CD2 C 13 25.129 0.000 . 2 . . . . 7 LEU CD2 . 20027 1 70 . 1 1 7 7 LEU CG C 13 27.302 0.000 . 1 . . . . 7 LEU CG . 20027 1 71 . 1 1 7 7 LEU N N 15 121.023 0.000 . 1 . . . . 7 LEU N . 20027 1 72 . 1 1 8 8 ASN H H 1 8.145 0.006 . 1 . . . . 8 ASN HN . 20027 1 73 . 1 1 8 8 ASN HA H 1 4.473 0.002 . 1 . . . . 8 ASN HA . 20027 1 74 . 1 1 8 8 ASN HB2 H 1 2.759 0.000 . 2 . . . . 8 ASN HB2 . 20027 1 75 . 1 1 8 8 ASN HB3 H 1 2.844 0.000 . 2 . . . . 8 ASN HB3 . 20027 1 76 . 1 1 8 8 ASN CA C 13 55.402 0.024 . 1 . . . . 8 ASN CA . 20027 1 77 . 1 1 8 8 ASN CB C 13 38.217 0.030 . 1 . . . . 8 ASN CB . 20027 1 78 . 1 1 8 8 ASN N N 15 118.272 0.000 . 1 . . . . 8 ASN N . 20027 1 79 . 1 1 9 9 LEU H H 1 8.261 0.005 . 1 . . . . 9 LEU HN . 20027 1 80 . 1 1 9 9 LEU HA H 1 3.926 0.000 . 1 . . . . 9 LEU HA . 20027 1 81 . 1 1 9 9 LEU HB2 H 1 1.434 0.000 . 2 . . . . 9 LEU HB2 . 20027 1 82 . 1 1 9 9 LEU HB3 H 1 1.841 0.000 . 2 . . . . 9 LEU HB3 . 20027 1 83 . 1 1 9 9 LEU HD11 H 1 0.793 0.000 . . . . . . 9 LEU QD1 . 20027 1 84 . 1 1 9 9 LEU HD12 H 1 0.793 0.000 . . . . . . 9 LEU QD1 . 20027 1 85 . 1 1 9 9 LEU HD13 H 1 0.793 0.000 . . . . . . 9 LEU QD1 . 20027 1 86 . 1 1 9 9 LEU HD21 H 1 0.865 0.000 . . . . . . 9 LEU QD2 . 20027 1 87 . 1 1 9 9 LEU HD22 H 1 0.865 0.000 . . . . . . 9 LEU QD2 . 20027 1 88 . 1 1 9 9 LEU HD23 H 1 0.865 0.000 . . . . . . 9 LEU QD2 . 20027 1 89 . 1 1 9 9 LEU CA C 13 58.348 0.106 . 1 . . . . 9 LEU CA . 20027 1 90 . 1 1 9 9 LEU CB C 13 41.685 0.016 . 1 . . . . 9 LEU CB . 20027 1 91 . 1 1 9 9 LEU CD1 C 13 23.482 0.015 . 2 . . . . 9 LEU CD1 . 20027 1 92 . 1 1 9 9 LEU CD2 C 13 25.502 0.016 . 2 . . . . 9 LEU CD2 . 20027 1 93 . 1 1 9 9 LEU N N 15 119.167 0.000 . 1 . . . . 9 LEU N . 20027 1 94 . 1 1 10 10 TYR H H 1 8.287 0.010 . 1 . . . . 10 TYR HN . 20027 1 95 . 1 1 10 10 TYR HA H 1 4.149 0.000 . 1 . . . . 10 TYR HA . 20027 1 96 . 1 1 10 10 TYR HB2 H 1 2.768 0.000 . 2 . . . . 10 TYR HB2 . 20027 1 97 . 1 1 10 10 TYR HB3 H 1 2.842 0.000 . 2 . . . . 10 TYR HB3 . 20027 1 98 . 1 1 10 10 TYR CA C 13 61.659 0.040 . 1 . . . . 10 TYR CA . 20027 1 99 . 1 1 10 10 TYR CB C 13 38.251 0.027 . 1 . . . . 10 TYR CB . 20027 1 100 . 1 1 10 10 TYR N N 15 119.358 0.000 . 1 . . . . 10 TYR N . 20027 1 101 . 1 1 11 11 GLN H H 1 8.091 0.002 . 1 . . . . 11 GLN HN . 20027 1 102 . 1 1 11 11 GLN HA H 1 3.820 0.000 . 1 . . . . 11 GLN HA . 20027 1 103 . 1 1 11 11 GLN HB2 H 1 2.018 0.000 . 2 . . . . 11 GLN HB2 . 20027 1 104 . 1 1 11 11 GLN HB3 H 1 2.122 0.000 . 2 . . . . 11 GLN HB3 . 20027 1 105 . 1 1 11 11 GLN CA C 13 58.953 0.029 . 1 . . . . 11 GLN CA . 20027 1 106 . 1 1 11 11 GLN CB C 13 28.085 0.044 . 1 . . . . 11 GLN CB . 20027 1 107 . 1 1 11 11 GLN N N 15 116.998 0.000 . 1 . . . . 11 GLN N . 20027 1 108 . 1 1 12 12 LYS H H 1 7.770 0.004 . 1 . . . . 12 LYS HN . 20027 1 109 . 1 1 12 12 LYS HA H 1 3.940 0.000 . 1 . . . . 12 LYS HA . 20027 1 110 . 1 1 12 12 LYS HB2 H 1 1.760 0.000 . 2 . . . . 12 LYS QB . 20027 1 111 . 1 1 12 12 LYS HB3 H 1 1.760 0.000 . 2 . . . . 12 LYS QB . 20027 1 112 . 1 1 12 12 LYS HD2 H 1 1.583 0.000 . 2 . . . . 12 LYS QD . 20027 1 113 . 1 1 12 12 LYS HD3 H 1 1.583 0.000 . 2 . . . . 12 LYS QD . 20027 1 114 . 1 1 12 12 LYS HE2 H 1 2.922 0.000 . 2 . . . . 12 LYS QE . 20027 1 115 . 1 1 12 12 LYS HE3 H 1 2.922 0.000 . 2 . . . . 12 LYS QE . 20027 1 116 . 1 1 12 12 LYS HG2 H 1 1.386 0.000 . 2 . . . . 12 LYS HG2 . 20027 1 117 . 1 1 12 12 LYS HG3 H 1 1.583 0.000 . 2 . . . . 12 LYS HG3 . 20027 1 118 . 1 1 12 12 LYS CA C 13 59.574 0.024 . 1 . . . . 12 LYS CA . 20027 1 119 . 1 1 12 12 LYS CB C 13 32.422 0.019 . 1 . . . . 12 LYS CB . 20027 1 120 . 1 1 12 12 LYS CD C 13 29.182 0.033 . 1 . . . . 12 LYS CD . 20027 1 121 . 1 1 12 12 LYS CE C 13 42.481 0.097 . 1 . . . . 12 LYS CE . 20027 1 122 . 1 1 12 12 LYS CG C 13 25.547 0.000 . 1 . . . . 12 LYS CG . 20027 1 123 . 1 1 12 12 LYS N N 15 119.859 0.000 . 1 . . . . 12 LYS N . 20027 1 124 . 1 1 13 13 TYR H H 1 8.221 0.005 . 1 . . . . 13 TYR HN . 20027 1 125 . 1 1 13 13 TYR HA H 1 3.927 0.000 . 1 . . . . 13 TYR HA . 20027 1 126 . 1 1 13 13 TYR HB2 H 1 3.036 0.000 . 2 . . . . 13 TYR HB2 . 20027 1 127 . 1 1 13 13 TYR HB3 H 1 3.144 0.000 . 2 . . . . 13 TYR HB3 . 20027 1 128 . 1 1 13 13 TYR CA C 13 61.718 0.016 . 1 . . . . 13 TYR CA . 20027 1 129 . 1 1 13 13 TYR CB C 13 38.385 0.063 . 1 . . . . 13 TYR CB . 20027 1 130 . 1 1 13 13 TYR N N 15 120.576 0.000 . 1 . . . . 13 TYR N . 20027 1 131 . 1 1 14 14 GLU H H 1 8.306 0.002 . 1 . . . . 14 GLU HN . 20027 1 132 . 1 1 14 14 GLU HA H 1 3.924 0.000 . 1 . . . . 14 GLU HA . 20027 1 133 . 1 1 14 14 GLU HB2 H 1 1.897 0.079 . 2 . . . . 14 GLU QB . 20027 1 134 . 1 1 14 14 GLU HB3 H 1 1.897 0.079 . 2 . . . . 14 GLU QB . 20027 1 135 . 1 1 14 14 GLU CA C 13 58.165 0.068 . 1 . . . . 14 GLU CA . 20027 1 136 . 1 1 14 14 GLU CB C 13 29.295 1.763 . 1 . . . . 14 GLU CB . 20027 1 137 . 1 1 14 14 GLU CG C 13 33.246 0.000 . 1 . . . . 14 GLU CG . 20027 1 138 . 1 1 14 14 GLU N N 15 118.629 0.000 . 1 . . . . 14 GLU N . 20027 1 139 . 1 1 15 15 LYS H H 1 7.579 0.004 . 1 . . . . 15 LYS HN . 20027 1 140 . 1 1 15 15 LYS HA H 1 3.501 0.000 . 1 . . . . 15 LYS HA . 20027 1 141 . 1 1 15 15 LYS HB2 H 1 1.826 0.000 . 2 . . . . 15 LYS HB2 . 20027 1 142 . 1 1 15 15 LYS HB3 H 1 1.977 0.000 . 2 . . . . 15 LYS HB3 . 20027 1 143 . 1 1 15 15 LYS HD2 H 1 1.650 0.002 . 2 . . . . 15 LYS QD . 20027 1 144 . 1 1 15 15 LYS HD3 H 1 1.650 0.002 . 2 . . . . 15 LYS QD . 20027 1 145 . 1 1 15 15 LYS HE2 H 1 2.871 0.000 . 2 . . . . 15 LYS QE . 20027 1 146 . 1 1 15 15 LYS HE3 H 1 2.871 0.000 . 2 . . . . 15 LYS QE . 20027 1 147 . 1 1 15 15 LYS HG2 H 1 1.569 0.000 . 2 . . . . 15 LYS QG . 20027 1 148 . 1 1 15 15 LYS HG3 H 1 1.569 0.000 . 2 . . . . 15 LYS QG . 20027 1 149 . 1 1 15 15 LYS CA C 13 58.401 0.116 . 1 . . . . 15 LYS CA . 20027 1 150 . 1 1 15 15 LYS CB C 13 32.314 0.033 . 1 . . . . 15 LYS CB . 20027 1 151 . 1 1 15 15 LYS CE C 13 42.236 0.051 . 1 . . . . 15 LYS CE . 20027 1 152 . 1 1 15 15 LYS CG C 13 25.060 0.000 . 1 . . . . 15 LYS CG . 20027 1 153 . 1 1 15 15 LYS N N 15 118.824 0.000 . 1 . . . . 15 LYS N . 20027 1 154 . 1 1 16 16 LEU H H 1 7.740 0.080 . 1 . . . . 16 LEU HN . 20027 1 155 . 1 1 16 16 LEU HB2 H 1 1.490 0.000 . 2 . . . . 16 LEU HB2 . 20027 1 156 . 1 1 16 16 LEU HB3 H 1 1.637 0.000 . 2 . . . . 16 LEU HB3 . 20027 1 157 . 1 1 16 16 LEU HD11 H 1 0.797 0.000 . . . . . . 16 LEU QD1 . 20027 1 158 . 1 1 16 16 LEU HD12 H 1 0.797 0.000 . . . . . . 16 LEU QD1 . 20027 1 159 . 1 1 16 16 LEU HD13 H 1 0.797 0.000 . . . . . . 16 LEU QD1 . 20027 1 160 . 1 1 16 16 LEU HD21 H 1 0.874 0.000 . . . . . . 16 LEU QD2 . 20027 1 161 . 1 1 16 16 LEU HD22 H 1 0.874 0.000 . . . . . . 16 LEU QD2 . 20027 1 162 . 1 1 16 16 LEU HD23 H 1 0.874 0.000 . . . . . . 16 LEU QD2 . 20027 1 163 . 1 1 16 16 LEU CA C 13 56.815 0.028 . 1 . . . . 16 LEU CA . 20027 1 164 . 1 1 16 16 LEU CB C 13 42.733 0.027 . 1 . . . . 16 LEU CB . 20027 1 165 . 1 1 16 16 LEU CD1 C 13 23.756 0.017 . 2 . . . . 16 LEU CD1 . 20027 1 166 . 1 1 16 16 LEU CD2 C 13 25.169 0.015 . 2 . . . . 16 LEU CD2 . 20027 1 167 . 1 1 16 16 LEU CG C 13 27.020 0.000 . 1 . . . . 16 LEU CG . 20027 1 168 . 1 1 16 16 LEU N N 15 118.981 0.000 . 1 . . . . 16 LEU N . 20027 1 169 . 1 1 17 17 THR H H 1 7.262 0.004 . 1 . . . . 17 THR HN . 20027 1 170 . 1 1 17 17 THR HA H 1 4.162 0.000 . 1 . . . . 17 THR HA . 20027 1 171 . 1 1 17 17 THR HB H 1 4.104 0.000 . 1 . . . . 17 THR HB . 20027 1 172 . 1 1 17 17 THR HG21 H 1 0.784 0.000 . . . . . . 17 THR QG2 . 20027 1 173 . 1 1 17 17 THR HG22 H 1 0.784 0.000 . . . . . . 17 THR QG2 . 20027 1 174 . 1 1 17 17 THR HG23 H 1 0.784 0.000 . . . . . . 17 THR QG2 . 20027 1 175 . 1 1 17 17 THR CA C 13 61.347 0.035 . 1 . . . . 17 THR CA . 20027 1 176 . 1 1 17 17 THR CB C 13 70.011 0.028 . 1 . . . . 17 THR CB . 20027 1 177 . 1 1 17 17 THR CG2 C 13 21.301 0.009 . 1 . . . . 17 THR CG2 . 20027 1 178 . 1 1 17 17 THR N N 15 106.755 0.000 . 1 . . . . 17 THR N . 20027 1 179 . 1 1 18 18 ALA H H 1 7.266 0.003 . 1 . . . . 18 ALA HN . 20027 1 180 . 1 1 18 18 ALA HA H 1 4.050 0.000 . 1 . . . . 18 ALA HA . 20027 1 181 . 1 1 18 18 ALA HB1 H 1 1.303 0.000 . . . . . . 18 ALA QB . 20027 1 182 . 1 1 18 18 ALA HB2 H 1 1.303 0.000 . . . . . . 18 ALA QB . 20027 1 183 . 1 1 18 18 ALA HB3 H 1 1.303 0.000 . . . . . . 18 ALA QB . 20027 1 184 . 1 1 18 18 ALA CA C 13 53.313 0.054 . 1 . . . . 18 ALA CA . 20027 1 185 . 1 1 18 18 ALA CB C 13 19.241 0.039 . 1 . . . . 18 ALA CB . 20027 1 186 . 1 1 18 18 ALA N N 15 128.901 0.000 . 1 . . . . 18 ALA N . 20027 1 stop_ save_