################################### # 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 19764 _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 2 '3D HNCA' . . . 19764 1 3 '3D HNCO' . . . 19764 1 5 '3D HCCH-TOCSY' . . . 19764 1 6 '3D 1H-15N NOESY' . . . 19764 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 2 $CARA . . 19764 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 MET HA H 1 4.366 0.01 . 1 . . . A 1 MET HA . 19764 1 2 . 1 1 1 1 MET HB2 H 1 2.061 0.01 . 2 . . . A 1 MET HB2 . 19764 1 3 . 1 1 1 1 MET HB3 H 1 1.985 0.01 . 2 . . . A 1 MET HB3 . 19764 1 4 . 1 1 1 1 MET HG2 H 1 2.453 0.01 . 2 . . . A 1 MET HG2 . 19764 1 5 . 1 1 1 1 MET HG3 H 1 2.535 0.01 . 2 . . . A 1 MET HG3 . 19764 1 6 . 1 1 1 1 MET HE1 H 1 2.004 0.01 . 1 . . . A 1 MET HE1 . 19764 1 7 . 1 1 1 1 MET HE2 H 1 2.004 0.01 . 1 . . . A 1 MET HE2 . 19764 1 8 . 1 1 1 1 MET HE3 H 1 2.004 0.01 . 1 . . . A 1 MET HE3 . 19764 1 9 . 1 1 1 1 MET H H 1 8.583 0.01 . 1 . . . A 1 MET H1 . 19764 1 10 . 1 1 1 1 MET C C 13 174.990 0.10 . 1 . . . A 1 MET C . 19764 1 11 . 1 1 1 1 MET CA C 13 54.614 0.10 . 1 . . . A 1 MET CA . 19764 1 12 . 1 1 1 1 MET CB C 13 33.193 0.10 . 1 . . . A 1 MET CB . 19764 1 13 . 1 1 1 1 MET CG C 13 32.032 0.10 . 1 . . . A 1 MET CG . 19764 1 14 . 1 1 1 1 MET CE C 13 16.899 0.10 . 1 . . . A 1 MET CE . 19764 1 15 . 1 1 1 1 MET N N 15 128.095 0.10 . 1 . . . A 1 MET N . 19764 1 16 . 1 1 2 2 ASP H H 1 8.445 0.01 . 1 . . . A 2 ASP H . 19764 1 17 . 1 1 2 2 ASP HA H 1 4.701 0.01 . 1 . . . A 2 ASP HA . 19764 1 18 . 1 1 2 2 ASP HB2 H 1 2.803 0.01 . 1 . . . A 2 ASP HB2 . 19764 1 19 . 1 1 2 2 ASP HB3 H 1 2.803 0.01 . 1 . . . A 2 ASP HB3 . 19764 1 20 . 1 1 2 2 ASP C C 13 175.219 0.10 . 1 . . . A 2 ASP C . 19764 1 21 . 1 1 2 2 ASP CA C 13 53.518 0.10 . 1 . . . A 2 ASP CA . 19764 1 22 . 1 1 2 2 ASP CB C 13 39.533 0.10 . 1 . . . A 2 ASP CB . 19764 1 23 . 1 1 2 2 ASP N N 15 118.854 0.10 . 1 . . . A 2 ASP N . 19764 1 24 . 1 1 3 3 SER H H 1 7.993 0.01 . 1 . . . A 3 SER H . 19764 1 25 . 1 1 3 3 SER HA H 1 4.513 0.01 . 1 . . . A 3 SER HA . 19764 1 26 . 1 1 3 3 SER HB2 H 1 3.933 0.01 . 1 . . . A 3 SER HB2 . 19764 1 27 . 1 1 3 3 SER HB3 H 1 3.933 0.01 . 1 . . . A 3 SER HB3 . 19764 1 28 . 1 1 3 3 SER C C 13 174.542 0.10 . 1 . . . A 3 SER C . 19764 1 29 . 1 1 3 3 SER CA C 13 58.447 0.10 . 1 . . . A 3 SER CA . 19764 1 30 . 1 1 3 3 SER CB C 13 63.931 0.10 . 1 . . . A 3 SER CB . 19764 1 31 . 1 1 3 3 SER N N 15 114.607 0.10 . 1 . . . A 3 SER N . 19764 1 32 . 1 1 4 4 ALA H H 1 8.476 0.01 . 1 . . . A 4 ALA H . 19764 1 33 . 1 1 4 4 ALA HA H 1 4.475 0.01 . 1 . . . A 4 ALA HA . 19764 1 34 . 1 1 4 4 ALA HB1 H 1 1.469 0.01 . 1 . . . A 4 ALA HB1 . 19764 1 35 . 1 1 4 4 ALA HB2 H 1 1.469 0.01 . 1 . . . A 4 ALA HB2 . 19764 1 36 . 1 1 4 4 ALA HB3 H 1 1.469 0.01 . 1 . . . A 4 ALA HB3 . 19764 1 37 . 1 1 4 4 ALA CA C 13 54.340 0.10 . 1 . . . A 4 ALA CA . 19764 1 38 . 1 1 4 4 ALA CB C 13 16.965 0.10 . 1 . . . A 4 ALA CB . 19764 1 39 . 1 1 4 4 ALA N N 15 125.695 0.10 . 1 . . . A 4 ALA N . 19764 1 40 . 1 1 5 5 PRO HA H 1 4.273 0.01 . 1 . . . A 5 PRO HA . 19764 1 41 . 1 1 5 5 PRO HB2 H 1 2.133 0.01 . 2 . . . A 5 PRO HB2 . 19764 1 42 . 1 1 5 5 PRO HB3 H 1 1.744 0.01 . 2 . . . A 5 PRO HB3 . 19764 1 43 . 1 1 5 5 PRO HG2 H 1 2.037 0.01 . 2 . . . A 5 PRO HG2 . 19764 1 44 . 1 1 5 5 PRO HG3 H 1 1.954 0.01 . 2 . . . A 5 PRO HG3 . 19764 1 45 . 1 1 5 5 PRO HD2 H 1 3.757 0.01 . 1 . . . A 5 PRO HD2 . 19764 1 46 . 1 1 5 5 PRO HD3 H 1 3.757 0.01 . 1 . . . A 5 PRO HD3 . 19764 1 47 . 1 1 5 5 PRO C C 13 177.273 0.10 . 1 . . . A 5 PRO C . 19764 1 48 . 1 1 5 5 PRO CA C 13 65.399 0.10 . 1 . . . A 5 PRO CA . 19764 1 49 . 1 1 5 5 PRO CB C 13 30.875 0.10 . 1 . . . A 5 PRO CB . 19764 1 50 . 1 1 5 5 PRO CG C 13 27.859 0.10 . 1 . . . A 5 PRO CG . 19764 1 51 . 1 1 5 5 PRO CD C 13 49.884 0.10 . 1 . . . A 5 PRO CD . 19764 1 52 . 1 1 6 6 PHE H H 1 7.769 0.01 . 1 . . . A 6 PHE H . 19764 1 53 . 1 1 6 6 PHE HA H 1 4.255 0.01 . 1 . . . A 6 PHE HA . 19764 1 54 . 1 1 6 6 PHE HB2 H 1 3.189 0.01 . 1 . . . A 6 PHE HB2 . 19764 1 55 . 1 1 6 6 PHE HB3 H 1 3.189 0.01 . 1 . . . A 6 PHE HB3 . 19764 1 56 . 1 1 6 6 PHE HD1 H 1 7.239 0.01 . 1 . . . A 6 PHE HD1 . 19764 1 57 . 1 1 6 6 PHE HD2 H 1 7.239 0.01 . 1 . . . A 6 PHE HD2 . 19764 1 58 . 1 1 6 6 PHE C C 13 177.011 0.10 . 1 . . . A 6 PHE C . 19764 1 59 . 1 1 6 6 PHE CA C 13 61.203 0.10 . 1 . . . A 6 PHE CA . 19764 1 60 . 1 1 6 6 PHE CB C 13 38.703 0.10 . 1 . . . A 6 PHE CB . 19764 1 61 . 1 1 6 6 PHE CD2 C 13 131.479 0.10 . 1 . . . A 6 PHE CD2 . 19764 1 62 . 1 1 6 6 PHE N N 15 116.345 0.10 . 1 . . . A 6 PHE N . 19764 1 63 . 1 1 7 7 GLU H H 1 8.334 0.01 . 1 . . . A 7 GLU H . 19764 1 64 . 1 1 7 7 GLU HA H 1 3.972 0.01 . 1 . . . A 7 GLU HA . 19764 1 65 . 1 1 7 7 GLU HB2 H 1 2.324 0.01 . 2 . . . A 7 GLU HB2 . 19764 1 66 . 1 1 7 7 GLU HB3 H 1 2.138 0.01 . 2 . . . A 7 GLU HB3 . 19764 1 67 . 1 1 7 7 GLU HG2 H 1 2.574 0.01 . 2 . . . A 7 GLU HG2 . 19764 1 68 . 1 1 7 7 GLU HG3 H 1 2.370 0.01 . 2 . . . A 7 GLU HG3 . 19764 1 69 . 1 1 7 7 GLU C C 13 177.743 0.10 . 1 . . . A 7 GLU C . 19764 1 70 . 1 1 7 7 GLU CA C 13 59.818 0.10 . 1 . . . A 7 GLU CA . 19764 1 71 . 1 1 7 7 GLU CB C 13 28.080 0.10 . 1 . . . A 7 GLU CB . 19764 1 72 . 1 1 7 7 GLU CG C 13 33.711 0.10 . 1 . . . A 7 GLU CG . 19764 1 73 . 1 1 7 7 GLU N N 15 118.531 0.10 . 1 . . . A 7 GLU N . 19764 1 74 . 1 1 8 8 LEU H H 1 8.254 0.01 . 1 . . . A 8 LEU H . 19764 1 75 . 1 1 8 8 LEU HA H 1 4.112 0.01 . 1 . . . A 8 LEU HA . 19764 1 76 . 1 1 8 8 LEU HB2 H 1 1.720 0.01 . 1 . . . A 8 LEU HB2 . 19764 1 77 . 1 1 8 8 LEU HB3 H 1 1.720 0.01 . 1 . . . A 8 LEU HB3 . 19764 1 78 . 1 1 8 8 LEU HG H 1 1.658 0.01 . 1 . . . A 8 LEU HG . 19764 1 79 . 1 1 8 8 LEU HD11 H 1 0.875 0.01 . 2 . . . A 8 LEU HD11 . 19764 1 80 . 1 1 8 8 LEU HD12 H 1 0.875 0.01 . 2 . . . A 8 LEU HD12 . 19764 1 81 . 1 1 8 8 LEU HD13 H 1 0.875 0.01 . 2 . . . A 8 LEU HD13 . 19764 1 82 . 1 1 8 8 LEU HD21 H 1 0.917 0.01 . 2 . . . A 8 LEU HD21 . 19764 1 83 . 1 1 8 8 LEU HD22 H 1 0.917 0.01 . 2 . . . A 8 LEU HD22 . 19764 1 84 . 1 1 8 8 LEU HD23 H 1 0.917 0.01 . 2 . . . A 8 LEU HD23 . 19764 1 85 . 1 1 8 8 LEU C C 13 177.995 0.10 . 1 . . . A 8 LEU C . 19764 1 86 . 1 1 8 8 LEU CA C 13 58.093 0.10 . 1 . . . A 8 LEU CA . 19764 1 87 . 1 1 8 8 LEU CB C 13 41.424 0.10 . 1 . . . A 8 LEU CB . 19764 1 88 . 1 1 8 8 LEU CG C 13 26.991 0.10 . 1 . . . A 8 LEU CG . 19764 1 89 . 1 1 8 8 LEU CD1 C 13 24.623 0.10 . 1 . . . A 8 LEU CD1 . 19764 1 90 . 1 1 8 8 LEU CD2 C 13 24.033 0.10 . 1 . . . A 8 LEU CD2 . 19764 1 91 . 1 1 8 8 LEU N N 15 119.001 0.10 . 1 . . . A 8 LEU N . 19764 1 92 . 1 1 9 9 PHE H H 1 8.148 0.01 . 1 . . . A 9 PHE H . 19764 1 93 . 1 1 9 9 PHE HA H 1 4.071 0.01 . 1 . . . A 9 PHE HA . 19764 1 94 . 1 1 9 9 PHE HB2 H 1 3.132 0.01 . 1 . . . A 9 PHE HB2 . 19764 1 95 . 1 1 9 9 PHE HB3 H 1 3.132 0.01 . 1 . . . A 9 PHE HB3 . 19764 1 96 . 1 1 9 9 PHE HD1 H 1 6.942 0.01 . 1 . . . A 9 PHE HD1 . 19764 1 97 . 1 1 9 9 PHE HD2 H 1 6.942 0.01 . 1 . . . A 9 PHE HD2 . 19764 1 98 . 1 1 9 9 PHE HE1 H 1 7.250 0.01 . 1 . . . A 9 PHE HE1 . 19764 1 99 . 1 1 9 9 PHE HE2 H 1 7.250 0.01 . 1 . . . A 9 PHE HE2 . 19764 1 100 . 1 1 9 9 PHE HZ H 1 7.090 0.01 . 1 . . . A 9 PHE HZ . 19764 1 101 . 1 1 9 9 PHE C C 13 177.219 0.10 . 1 . . . A 9 PHE C . 19764 1 102 . 1 1 9 9 PHE CA C 13 61.496 0.10 . 1 . . . A 9 PHE CA . 19764 1 103 . 1 1 9 9 PHE CB C 13 38.768 0.10 . 1 . . . A 9 PHE CB . 19764 1 104 . 1 1 9 9 PHE CD2 C 13 131.166 0.10 . 1 . . . A 9 PHE CD2 . 19764 1 105 . 1 1 9 9 PHE CE2 C 13 131.420 0.10 . 1 . . . A 9 PHE CE2 . 19764 1 106 . 1 1 9 9 PHE CZ C 13 129.733 0.10 . 1 . . . A 9 PHE CZ . 19764 1 107 . 1 1 9 9 PHE N N 15 118.536 0.10 . 1 . . . A 9 PHE N . 19764 1 108 . 1 1 10 10 PHE H H 1 8.572 0.01 . 1 . . . A 10 PHE H . 19764 1 109 . 1 1 10 10 PHE HA H 1 4.067 0.01 . 1 . . . A 10 PHE HA . 19764 1 110 . 1 1 10 10 PHE HB2 H 1 3.184 0.01 . 2 . . . A 10 PHE HB2 . 19764 1 111 . 1 1 10 10 PHE HB3 H 1 3.045 0.01 . 2 . . . A 10 PHE HB3 . 19764 1 112 . 1 1 10 10 PHE HD1 H 1 7.167 0.01 . 1 . . . A 10 PHE HD1 . 19764 1 113 . 1 1 10 10 PHE HD2 H 1 7.167 0.01 . 1 . . . A 10 PHE HD2 . 19764 1 114 . 1 1 10 10 PHE HE1 H 1 7.236 0.01 . 1 . . . A 10 PHE HE1 . 19764 1 115 . 1 1 10 10 PHE HE2 H 1 7.236 0.01 . 1 . . . A 10 PHE HE2 . 19764 1 116 . 1 1 10 10 PHE CA C 13 61.545 0.10 . 1 . . . A 10 PHE CA . 19764 1 117 . 1 1 10 10 PHE CB C 13 38.850 0.10 . 1 . . . A 10 PHE CB . 19764 1 118 . 1 1 10 10 PHE CD2 C 13 129.146 0.10 . 1 . . . A 10 PHE CD2 . 19764 1 119 . 1 1 10 10 PHE CE2 C 13 130.831 0.10 . 1 . . . A 10 PHE CE2 . 19764 1 120 . 1 1 10 10 PHE N N 15 119.124 0.10 . 1 . . . A 10 PHE N . 19764 1 121 . 1 1 11 11 MET H H 1 8.555 0.01 . 1 . . . A 11 MET H . 19764 1 122 . 1 1 11 11 MET HA H 1 4.019 0.01 . 1 . . . A 11 MET HA . 19764 1 123 . 1 1 11 11 MET HB2 H 1 2.084 0.01 . 2 . . . A 11 MET HB2 . 19764 1 124 . 1 1 11 11 MET HB3 H 1 2.334 0.01 . 2 . . . A 11 MET HB3 . 19764 1 125 . 1 1 11 11 MET HG2 H 1 2.784 0.01 . 2 . . . A 11 MET HG2 . 19764 1 126 . 1 1 11 11 MET HG3 H 1 2.509 0.01 . 2 . . . A 11 MET HG3 . 19764 1 127 . 1 1 11 11 MET HE1 H 1 2.007 0.01 . 1 . . . A 11 MET HE1 . 19764 1 128 . 1 1 11 11 MET HE2 H 1 2.007 0.01 . 1 . . . A 11 MET HE2 . 19764 1 129 . 1 1 11 11 MET HE3 H 1 2.007 0.01 . 1 . . . A 11 MET HE3 . 19764 1 130 . 1 1 11 11 MET C C 13 178.246 0.10 . 1 . . . A 11 MET C . 19764 1 131 . 1 1 11 11 MET CA C 13 59.255 0.10 . 1 . . . A 11 MET CA . 19764 1 132 . 1 1 11 11 MET CB C 13 32.680 0.10 . 1 . . . A 11 MET CB . 19764 1 133 . 1 1 11 11 MET CG C 13 32.727 0.10 . 1 . . . A 11 MET CG . 19764 1 134 . 1 1 11 11 MET CE C 13 17.174 0.10 . 1 . . . A 11 MET CE . 19764 1 135 . 1 1 11 11 MET N N 15 120.911 0.10 . 1 . . . A 11 MET N . 19764 1 136 . 1 1 12 12 ILE H H 1 8.536 0.01 . 1 . . . A 12 ILE H . 19764 1 137 . 1 1 12 12 ILE HA H 1 3.560 0.01 . 1 . . . A 12 ILE HA . 19764 1 138 . 1 1 12 12 ILE HB H 1 1.808 0.01 . 1 . . . A 12 ILE HB . 19764 1 139 . 1 1 12 12 ILE HG12 H 1 1.736 0.01 . 2 . . . A 12 ILE HG12 . 19764 1 140 . 1 1 12 12 ILE HG13 H 1 0.989 0.01 . 2 . . . A 12 ILE HG13 . 19764 1 141 . 1 1 12 12 ILE HG21 H 1 0.763 0.01 . 1 . . . A 12 ILE HG21 . 19764 1 142 . 1 1 12 12 ILE HG22 H 1 0.763 0.01 . 1 . . . A 12 ILE HG22 . 19764 1 143 . 1 1 12 12 ILE HG23 H 1 0.763 0.01 . 1 . . . A 12 ILE HG23 . 19764 1 144 . 1 1 12 12 ILE HD11 H 1 0.733 0.01 . 1 . . . A 12 ILE HD11 . 19764 1 145 . 1 1 12 12 ILE HD12 H 1 0.733 0.01 . 1 . . . A 12 ILE HD12 . 19764 1 146 . 1 1 12 12 ILE HD13 H 1 0.733 0.01 . 1 . . . A 12 ILE HD13 . 19764 1 147 . 1 1 12 12 ILE C C 13 176.760 0.10 . 1 . . . A 12 ILE C . 19764 1 148 . 1 1 12 12 ILE CA C 13 65.194 0.10 . 1 . . . A 12 ILE CA . 19764 1 149 . 1 1 12 12 ILE CB C 13 37.587 0.10 . 1 . . . A 12 ILE CB . 19764 1 150 . 1 1 12 12 ILE CG1 C 13 29.118 0.10 . 1 . . . A 12 ILE CG1 . 19764 1 151 . 1 1 12 12 ILE CG2 C 13 16.801 0.10 . 1 . . . A 12 ILE CG2 . 19764 1 152 . 1 1 12 12 ILE CD1 C 13 13.054 0.10 . 1 . . . A 12 ILE CD1 . 19764 1 153 . 1 1 12 12 ILE N N 15 120.842 0.10 . 1 . . . A 12 ILE N . 19764 1 154 . 1 1 13 13 ASN H H 1 8.097 0.01 . 1 . . . A 13 ASN H . 19764 1 155 . 1 1 13 13 ASN HA H 1 4.144 0.01 . 1 . . . A 13 ASN HA . 19764 1 156 . 1 1 13 13 ASN HB2 H 1 2.277 0.01 . 1 . . . A 13 ASN HB2 . 19764 1 157 . 1 1 13 13 ASN HB3 H 1 2.277 0.01 . 1 . . . A 13 ASN HB3 . 19764 1 158 . 1 1 13 13 ASN HD21 H 1 7.071 0.01 . 1 . . . A 13 ASN HD21 . 19764 1 159 . 1 1 13 13 ASN C C 13 176.858 0.10 . 1 . . . A 13 ASN C . 19764 1 160 . 1 1 13 13 ASN CA C 13 57.064 0.10 . 1 . . . A 13 ASN CA . 19764 1 161 . 1 1 13 13 ASN CB C 13 38.939 0.10 . 1 . . . A 13 ASN CB . 19764 1 162 . 1 1 13 13 ASN N N 15 117.647 0.10 . 1 . . . A 13 ASN N . 19764 1 163 . 1 1 14 14 THR H H 1 8.018 0.01 . 1 . . . A 14 THR H . 19764 1 164 . 1 1 14 14 THR HA H 1 3.651 0.01 . 1 . . . A 14 THR HA . 19764 1 165 . 1 1 14 14 THR HB H 1 3.963 0.01 . 1 . . . A 14 THR HB . 19764 1 166 . 1 1 14 14 THR HG1 H 1 4.583 0.01 . 1 . . . A 14 THR HG1 . 19764 1 167 . 1 1 14 14 THR HG21 H 1 1.009 0.01 . 1 . . . A 14 THR HG21 . 19764 1 168 . 1 1 14 14 THR HG22 H 1 1.009 0.01 . 1 . . . A 14 THR HG22 . 19764 1 169 . 1 1 14 14 THR HG23 H 1 1.009 0.01 . 1 . . . A 14 THR HG23 . 19764 1 170 . 1 1 14 14 THR C C 13 175.252 0.10 . 1 . . . A 14 THR C . 19764 1 171 . 1 1 14 14 THR CA C 13 67.551 0.10 . 1 . . . A 14 THR CA . 19764 1 172 . 1 1 14 14 THR CB C 13 67.810 0.10 . 1 . . . A 14 THR CB . 19764 1 173 . 1 1 14 14 THR CG2 C 13 21.263 0.10 . 1 . . . A 14 THR CG2 . 19764 1 174 . 1 1 14 14 THR N N 15 114.513 0.10 . 1 . . . A 14 THR N . 19764 1 175 . 1 1 15 15 SER H H 1 7.733 0.01 . 1 . . . A 15 SER H . 19764 1 176 . 1 1 15 15 SER HA H 1 3.986 0.01 . 1 . . . A 15 SER HA . 19764 1 177 . 1 1 15 15 SER HB2 H 1 3.982 0.01 . 2 . . . A 15 SER HB2 . 19764 1 178 . 1 1 15 15 SER HB3 H 1 3.632 0.01 . 2 . . . A 15 SER HB3 . 19764 1 179 . 1 1 15 15 SER C C 13 174.782 0.10 . 1 . . . A 15 SER C . 19764 1 180 . 1 1 15 15 SER CA C 13 63.103 0.10 . 1 . . . A 15 SER CA . 19764 1 181 . 1 1 15 15 SER CB C 13 62.684 0.10 . 1 . . . A 15 SER CB . 19764 1 182 . 1 1 15 15 SER N N 15 117.295 0.10 . 1 . . . A 15 SER N . 19764 1 183 . 1 1 16 16 ILE H H 1 7.747 0.01 . 1 . . . A 16 ILE H . 19764 1 184 . 1 1 16 16 ILE HA H 1 3.508 0.01 . 1 . . . A 16 ILE HA . 19764 1 185 . 1 1 16 16 ILE HB H 1 1.788 0.01 . 1 . . . A 16 ILE HB . 19764 1 186 . 1 1 16 16 ILE HG12 H 1 1.676 0.01 . 2 . . . A 16 ILE HG12 . 19764 1 187 . 1 1 16 16 ILE HG13 H 1 0.898 0.01 . 2 . . . A 16 ILE HG13 . 19764 1 188 . 1 1 16 16 ILE HG21 H 1 0.633 0.01 . 1 . . . A 16 ILE HG21 . 19764 1 189 . 1 1 16 16 ILE HG22 H 1 0.633 0.01 . 1 . . . A 16 ILE HG22 . 19764 1 190 . 1 1 16 16 ILE HG23 H 1 0.633 0.01 . 1 . . . A 16 ILE HG23 . 19764 1 191 . 1 1 16 16 ILE HD11 H 1 0.635 0.01 . 1 . . . A 16 ILE HD11 . 19764 1 192 . 1 1 16 16 ILE HD12 H 1 0.635 0.01 . 1 . . . A 16 ILE HD12 . 19764 1 193 . 1 1 16 16 ILE HD13 H 1 0.635 0.01 . 1 . . . A 16 ILE HD13 . 19764 1 194 . 1 1 16 16 ILE C C 13 176.694 0.10 . 1 . . . A 16 ILE C . 19764 1 195 . 1 1 16 16 ILE CA C 13 64.887 0.10 . 1 . . . A 16 ILE CA . 19764 1 196 . 1 1 16 16 ILE CB C 13 37.036 0.10 . 1 . . . A 16 ILE CB . 19764 1 197 . 1 1 16 16 ILE CG1 C 13 28.819 0.10 . 1 . . . A 16 ILE CG1 . 19764 1 198 . 1 1 16 16 ILE CG2 C 13 17.241 0.10 . 1 . . . A 16 ILE CG2 . 19764 1 199 . 1 1 16 16 ILE CD1 C 13 12.761 0.10 . 1 . . . A 16 ILE CD1 . 19764 1 200 . 1 1 16 16 ILE N N 15 120.420 0.10 . 1 . . . A 16 ILE N . 19764 1 201 . 1 1 17 17 LEU H H 1 7.677 0.01 . 1 . . . A 17 LEU H . 19764 1 202 . 1 1 17 17 LEU HA H 1 4.007 0.01 . 1 . . . A 17 LEU HA . 19764 1 203 . 1 1 17 17 LEU HB2 H 1 1.750 0.01 . 2 . . . A 17 LEU HB2 . 19764 1 204 . 1 1 17 17 LEU HB3 H 1 1.711 0.01 . 2 . . . A 17 LEU HB3 . 19764 1 205 . 1 1 17 17 LEU HG H 1 1.689 0.01 . 1 . . . A 17 LEU HG . 19764 1 206 . 1 1 17 17 LEU HD11 H 1 0.813 0.01 . 2 . . . A 17 LEU HD11 . 19764 1 207 . 1 1 17 17 LEU HD12 H 1 0.813 0.01 . 2 . . . A 17 LEU HD12 . 19764 1 208 . 1 1 17 17 LEU HD13 H 1 0.813 0.01 . 2 . . . A 17 LEU HD13 . 19764 1 209 . 1 1 17 17 LEU HD21 H 1 0.867 0.01 . 2 . . . A 17 LEU HD21 . 19764 1 210 . 1 1 17 17 LEU HD22 H 1 0.867 0.01 . 2 . . . A 17 LEU HD22 . 19764 1 211 . 1 1 17 17 LEU HD23 H 1 0.867 0.01 . 2 . . . A 17 LEU HD23 . 19764 1 212 . 1 1 17 17 LEU C C 13 178.060 0.10 . 1 . . . A 17 LEU C . 19764 1 213 . 1 1 17 17 LEU CA C 13 58.262 0.10 . 1 . . . A 17 LEU CA . 19764 1 214 . 1 1 17 17 LEU CB C 13 41.525 0.10 . 1 . . . A 17 LEU CB . 19764 1 215 . 1 1 17 17 LEU CG C 13 26.795 0.10 . 1 . . . A 17 LEU CG . 19764 1 216 . 1 1 17 17 LEU CD1 C 13 24.413 0.10 . 1 . . . A 17 LEU CD1 . 19764 1 217 . 1 1 17 17 LEU CD2 C 13 23.878 0.10 . 1 . . . A 17 LEU CD2 . 19764 1 218 . 1 1 17 17 LEU N N 15 119.529 0.10 . 1 . . . A 17 LEU N . 19764 1 219 . 1 1 18 18 LEU H H 1 8.087 0.01 . 1 . . . A 18 LEU H . 19764 1 220 . 1 1 18 18 LEU HA H 1 3.929 0.01 . 1 . . . A 18 LEU HA . 19764 1 221 . 1 1 18 18 LEU HB2 H 1 1.879 0.01 . 2 . . . A 18 LEU HB2 . 19764 1 222 . 1 1 18 18 LEU HB3 H 1 1.405 0.01 . 2 . . . A 18 LEU HB3 . 19764 1 223 . 1 1 18 18 LEU HG H 1 1.777 0.01 . 1 . . . A 18 LEU HG . 19764 1 224 . 1 1 18 18 LEU HD11 H 1 0.783 0.01 . 2 . . . A 18 LEU HD11 . 19764 1 225 . 1 1 18 18 LEU HD12 H 1 0.783 0.01 . 2 . . . A 18 LEU HD12 . 19764 1 226 . 1 1 18 18 LEU HD13 H 1 0.783 0.01 . 2 . . . A 18 LEU HD13 . 19764 1 227 . 1 1 18 18 LEU HD21 H 1 0.766 0.01 . 2 . . . A 18 LEU HD21 . 19764 1 228 . 1 1 18 18 LEU HD22 H 1 0.766 0.01 . 2 . . . A 18 LEU HD22 . 19764 1 229 . 1 1 18 18 LEU HD23 H 1 0.766 0.01 . 2 . . . A 18 LEU HD23 . 19764 1 230 . 1 1 18 18 LEU C C 13 178.016 0.10 . 1 . . . A 18 LEU C . 19764 1 231 . 1 1 18 18 LEU CA C 13 58.168 0.10 . 1 . . . A 18 LEU CA . 19764 1 232 . 1 1 18 18 LEU CB C 13 41.416 0.10 . 1 . . . A 18 LEU CB . 19764 1 233 . 1 1 18 18 LEU CG C 13 26.603 0.10 . 1 . . . A 18 LEU CG . 19764 1 234 . 1 1 18 18 LEU CD1 C 13 24.930 0.10 . 1 . . . A 18 LEU CD1 . 19764 1 235 . 1 1 18 18 LEU CD2 C 13 23.051 0.10 . 1 . . . A 18 LEU CD2 . 19764 1 236 . 1 1 18 18 LEU N N 15 117.308 0.10 . 1 . . . A 18 LEU N . 19764 1 237 . 1 1 19 19 ILE H H 1 8.108 0.01 . 1 . . . A 19 ILE H . 19764 1 238 . 1 1 19 19 ILE HA H 1 3.626 0.01 . 1 . . . A 19 ILE HA . 19764 1 239 . 1 1 19 19 ILE HB H 1 2.000 0.01 . 1 . . . A 19 ILE HB . 19764 1 240 . 1 1 19 19 ILE HG12 H 1 1.851 0.01 . 2 . . . A 19 ILE HG12 . 19764 1 241 . 1 1 19 19 ILE HG13 H 1 1.011 0.01 . 2 . . . A 19 ILE HG13 . 19764 1 242 . 1 1 19 19 ILE HG21 H 1 0.877 0.01 . 1 . . . A 19 ILE HG21 . 19764 1 243 . 1 1 19 19 ILE HG22 H 1 0.877 0.01 . 1 . . . A 19 ILE HG22 . 19764 1 244 . 1 1 19 19 ILE HG23 H 1 0.877 0.01 . 1 . . . A 19 ILE HG23 . 19764 1 245 . 1 1 19 19 ILE HD11 H 1 0.743 0.01 . 1 . . . A 19 ILE HD11 . 19764 1 246 . 1 1 19 19 ILE HD12 H 1 0.743 0.01 . 1 . . . A 19 ILE HD12 . 19764 1 247 . 1 1 19 19 ILE HD13 H 1 0.743 0.01 . 1 . . . A 19 ILE HD13 . 19764 1 248 . 1 1 19 19 ILE C C 13 177.131 0.10 . 1 . . . A 19 ILE C . 19764 1 249 . 1 1 19 19 ILE CA C 13 65.504 0.10 . 1 . . . A 19 ILE CA . 19764 1 250 . 1 1 19 19 ILE CB C 13 37.242 0.10 . 1 . . . A 19 ILE CB . 19764 1 251 . 1 1 19 19 ILE CG1 C 13 29.375 0.10 . 1 . . . A 19 ILE CG1 . 19764 1 252 . 1 1 19 19 ILE CG2 C 13 17.126 0.10 . 1 . . . A 19 ILE CG2 . 19764 1 253 . 1 1 19 19 ILE CD1 C 13 12.725 0.10 . 1 . . . A 19 ILE CD1 . 19764 1 254 . 1 1 19 19 ILE N N 15 118.636 0.10 . 1 . . . A 19 ILE N . 19764 1 255 . 1 1 20 20 PHE H H 1 8.448 0.01 . 1 . . . A 20 PHE H . 19764 1 256 . 1 1 20 20 PHE HA H 1 4.204 0.01 . 1 . . . A 20 PHE HA . 19764 1 257 . 1 1 20 20 PHE HB2 H 1 3.265 0.01 . 1 . . . A 20 PHE HB2 . 19764 1 258 . 1 1 20 20 PHE HB3 H 1 3.265 0.01 . 1 . . . A 20 PHE HB3 . 19764 1 259 . 1 1 20 20 PHE HD2 H 1 7.074 0.01 . 1 . . . A 20 PHE HD2 . 19764 1 260 . 1 1 20 20 PHE HE1 H 1 7.010 0.01 . 1 . . . A 20 PHE HE1 . 19764 1 261 . 1 1 20 20 PHE HE2 H 1 7.010 0.01 . 1 . . . A 20 PHE HE2 . 19764 1 262 . 1 1 20 20 PHE HZ H 1 6.950 0.01 . 1 . . . A 20 PHE HZ . 19764 1 263 . 1 1 20 20 PHE C C 13 176.771 0.10 . 1 . . . A 20 PHE C . 19764 1 264 . 1 1 20 20 PHE CA C 13 61.540 0.10 . 1 . . . A 20 PHE CA . 19764 1 265 . 1 1 20 20 PHE CB C 13 38.503 0.10 . 1 . . . A 20 PHE CB . 19764 1 266 . 1 1 20 20 PHE CD2 C 13 130.054 0.10 . 1 . . . A 20 PHE CD2 . 19764 1 267 . 1 1 20 20 PHE CE2 C 13 128.266 0.10 . 1 . . . A 20 PHE CE2 . 19764 1 268 . 1 1 20 20 PHE CZ C 13 129.851 0.10 . 1 . . . A 20 PHE CZ . 19764 1 269 . 1 1 20 20 PHE N N 15 119.349 0.10 . 1 . . . A 20 PHE N . 19764 1 270 . 1 1 21 21 ILE H H 1 8.485 0.01 . 1 . . . A 21 ILE H . 19764 1 271 . 1 1 21 21 ILE HA H 1 3.428 0.01 . 1 . . . A 21 ILE HA . 19764 1 272 . 1 1 21 21 ILE HB H 1 2.051 0.01 . 1 . . . A 21 ILE HB . 19764 1 273 . 1 1 21 21 ILE HG12 H 1 2.003 0.01 . 2 . . . A 21 ILE HG12 . 19764 1 274 . 1 1 21 21 ILE HG13 H 1 1.052 0.01 . 2 . . . A 21 ILE HG13 . 19764 1 275 . 1 1 21 21 ILE HG21 H 1 0.836 0.01 . 1 . . . A 21 ILE HG21 . 19764 1 276 . 1 1 21 21 ILE HG22 H 1 0.836 0.01 . 1 . . . A 21 ILE HG22 . 19764 1 277 . 1 1 21 21 ILE HG23 H 1 0.836 0.01 . 1 . . . A 21 ILE HG23 . 19764 1 278 . 1 1 21 21 ILE HD11 H 1 0.796 0.01 . 1 . . . A 21 ILE HD11 . 19764 1 279 . 1 1 21 21 ILE HD12 H 1 0.796 0.01 . 1 . . . A 21 ILE HD12 . 19764 1 280 . 1 1 21 21 ILE HD13 H 1 0.796 0.01 . 1 . . . A 21 ILE HD13 . 19764 1 281 . 1 1 21 21 ILE C C 13 176.989 0.10 . 1 . . . A 21 ILE C . 19764 1 282 . 1 1 21 21 ILE CA C 13 65.547 0.10 . 1 . . . A 21 ILE CA . 19764 1 283 . 1 1 21 21 ILE CB C 13 37.354 0.10 . 1 . . . A 21 ILE CB . 19764 1 284 . 1 1 21 21 ILE CG1 C 13 29.331 0.10 . 1 . . . A 21 ILE CG1 . 19764 1 285 . 1 1 21 21 ILE CG2 C 13 16.906 0.10 . 1 . . . A 21 ILE CG2 . 19764 1 286 . 1 1 21 21 ILE CD1 C 13 12.891 0.10 . 1 . . . A 21 ILE CD1 . 19764 1 287 . 1 1 21 21 ILE N N 15 118.342 0.10 . 1 . . . A 21 ILE N . 19764 1 288 . 1 1 22 22 PHE H H 1 8.576 0.01 . 1 . . . A 22 PHE H . 19764 1 289 . 1 1 22 22 PHE HA H 1 4.207 0.01 . 1 . . . A 22 PHE HA . 19764 1 290 . 1 1 22 22 PHE HB2 H 1 3.274 0.01 . 1 . . . A 22 PHE HB2 . 19764 1 291 . 1 1 22 22 PHE HB3 H 1 3.274 0.01 . 1 . . . A 22 PHE HB3 . 19764 1 292 . 1 1 22 22 PHE HD1 H 1 7.098 0.01 . 1 . . . A 22 PHE HD1 . 19764 1 293 . 1 1 22 22 PHE HD2 H 1 7.098 0.01 . 1 . . . A 22 PHE HD2 . 19764 1 294 . 1 1 22 22 PHE HE1 H 1 7.019 0.01 . 1 . . . A 22 PHE HE1 . 19764 1 295 . 1 1 22 22 PHE HE2 H 1 7.019 0.01 . 1 . . . A 22 PHE HE2 . 19764 1 296 . 1 1 22 22 PHE HZ H 1 6.957 0.01 . 1 . . . A 22 PHE HZ . 19764 1 297 . 1 1 22 22 PHE C C 13 176.880 0.10 . 1 . . . A 22 PHE C . 19764 1 298 . 1 1 22 22 PHE CA C 13 61.174 0.10 . 1 . . . A 22 PHE CA . 19764 1 299 . 1 1 22 22 PHE CB C 13 38.432 0.10 . 1 . . . A 22 PHE CB . 19764 1 300 . 1 1 22 22 PHE CD2 C 13 130.899 0.10 . 1 . . . A 22 PHE CD2 . 19764 1 301 . 1 1 22 22 PHE CE2 C 13 130.097 0.10 . 1 . . . A 22 PHE CE2 . 19764 1 302 . 1 1 22 22 PHE CZ C 13 128.225 0.10 . 1 . . . A 22 PHE CZ . 19764 1 303 . 1 1 22 22 PHE N N 15 119.166 0.10 . 1 . . . A 22 PHE N . 19764 1 304 . 1 1 23 23 ILE H H 1 8.508 0.01 . 1 . . . A 23 ILE H . 19764 1 305 . 1 1 23 23 ILE HA H 1 3.552 0.01 . 1 . . . A 23 ILE HA . 19764 1 306 . 1 1 23 23 ILE HB H 1 2.091 0.01 . 1 . . . A 23 ILE HB . 19764 1 307 . 1 1 23 23 ILE HG12 H 1 1.974 0.01 . 2 . . . A 23 ILE HG12 . 19764 1 308 . 1 1 23 23 ILE HG13 H 1 1.131 0.01 . 2 . . . A 23 ILE HG13 . 19764 1 309 . 1 1 23 23 ILE HG21 H 1 0.877 0.01 . 1 . . . A 23 ILE HG21 . 19764 1 310 . 1 1 23 23 ILE HG22 H 1 0.877 0.01 . 1 . . . A 23 ILE HG22 . 19764 1 311 . 1 1 23 23 ILE HG23 H 1 0.877 0.01 . 1 . . . A 23 ILE HG23 . 19764 1 312 . 1 1 23 23 ILE HD11 H 1 0.821 0.01 . 1 . . . A 23 ILE HD11 . 19764 1 313 . 1 1 23 23 ILE HD12 H 1 0.821 0.01 . 1 . . . A 23 ILE HD12 . 19764 1 314 . 1 1 23 23 ILE HD13 H 1 0.821 0.01 . 1 . . . A 23 ILE HD13 . 19764 1 315 . 1 1 23 23 ILE C C 13 177.284 0.10 . 1 . . . A 23 ILE C . 19764 1 316 . 1 1 23 23 ILE CA C 13 65.453 0.10 . 1 . . . A 23 ILE CA . 19764 1 317 . 1 1 23 23 ILE CB C 13 37.112 0.10 . 1 . . . A 23 ILE CB . 19764 1 318 . 1 1 23 23 ILE CG1 C 13 29.252 0.10 . 1 . . . A 23 ILE CG1 . 19764 1 319 . 1 1 23 23 ILE CG2 C 13 17.346 0.10 . 1 . . . A 23 ILE CG2 . 19764 1 320 . 1 1 23 23 ILE CD1 C 13 13.039 0.10 . 1 . . . A 23 ILE CD1 . 19764 1 321 . 1 1 23 23 ILE N N 15 118.582 0.10 . 1 . . . A 23 ILE N . 19764 1 322 . 1 1 24 24 VAL H H 1 8.212 0.01 . 1 . . . A 24 VAL H . 19764 1 323 . 1 1 24 24 VAL HA H 1 3.446 0.01 . 1 . . . A 24 VAL HA . 19764 1 324 . 1 1 24 24 VAL HB H 1 2.124 0.01 . 1 . . . A 24 VAL HB . 19764 1 325 . 1 1 24 24 VAL HG11 H 1 0.798 0.01 . 2 . . . A 24 VAL HG11 . 19764 1 326 . 1 1 24 24 VAL HG12 H 1 0.798 0.01 . 2 . . . A 24 VAL HG12 . 19764 1 327 . 1 1 24 24 VAL HG13 H 1 0.798 0.01 . 2 . . . A 24 VAL HG13 . 19764 1 328 . 1 1 24 24 VAL HG21 H 1 0.746 0.01 . 2 . . . A 24 VAL HG21 . 19764 1 329 . 1 1 24 24 VAL HG22 H 1 0.746 0.01 . 2 . . . A 24 VAL HG22 . 19764 1 330 . 1 1 24 24 VAL HG23 H 1 0.746 0.01 . 2 . . . A 24 VAL HG23 . 19764 1 331 . 1 1 24 24 VAL C C 13 178.060 0.10 . 1 . . . A 24 VAL C . 19764 1 332 . 1 1 24 24 VAL CA C 13 67.298 0.10 . 1 . . . A 24 VAL CA . 19764 1 333 . 1 1 24 24 VAL CB C 13 30.785 0.10 . 1 . . . A 24 VAL CB . 19764 1 334 . 1 1 24 24 VAL CG1 C 13 21.547 0.10 . 1 . . . A 24 VAL CG1 . 19764 1 335 . 1 1 24 24 VAL CG2 C 13 22.865 0.10 . 1 . . . A 24 VAL CG2 . 19764 1 336 . 1 1 24 24 VAL N N 15 119.194 0.10 . 1 . . . A 24 VAL N . 19764 1 337 . 1 1 25 25 LEU H H 1 8.442 0.01 . 1 . . . A 25 LEU H . 19764 1 338 . 1 1 25 25 LEU HA H 1 3.956 0.01 . 1 . . . A 25 LEU HA . 19764 1 339 . 1 1 25 25 LEU HB2 H 1 2.121 0.01 . 2 . . . A 25 LEU HB2 . 19764 1 340 . 1 1 25 25 LEU HB3 H 1 1.438 0.01 . 2 . . . A 25 LEU HB3 . 19764 1 341 . 1 1 25 25 LEU HG H 1 1.998 0.01 . 1 . . . A 25 LEU HG . 19764 1 342 . 1 1 25 25 LEU HD11 H 1 0.863 0.01 . 2 . . . A 25 LEU HD11 . 19764 1 343 . 1 1 25 25 LEU HD12 H 1 0.863 0.01 . 2 . . . A 25 LEU HD12 . 19764 1 344 . 1 1 25 25 LEU HD13 H 1 0.863 0.01 . 2 . . . A 25 LEU HD13 . 19764 1 345 . 1 1 25 25 LEU HD21 H 1 0.889 0.01 . 2 . . . A 25 LEU HD21 . 19764 1 346 . 1 1 25 25 LEU HD22 H 1 0.889 0.01 . 2 . . . A 25 LEU HD22 . 19764 1 347 . 1 1 25 25 LEU HD23 H 1 0.889 0.01 . 2 . . . A 25 LEU HD23 . 19764 1 348 . 1 1 25 25 LEU C C 13 178.574 0.10 . 1 . . . A 25 LEU C . 19764 1 349 . 1 1 25 25 LEU CA C 13 58.254 0.10 . 1 . . . A 25 LEU CA . 19764 1 350 . 1 1 25 25 LEU CB C 13 41.536 0.10 . 1 . . . A 25 LEU CB . 19764 1 351 . 1 1 25 25 LEU CG C 13 26.524 0.10 . 1 . . . A 25 LEU CG . 19764 1 352 . 1 1 25 25 LEU CD1 C 13 23.021 0.10 . 1 . . . A 25 LEU CD1 . 19764 1 353 . 1 1 25 25 LEU CD2 C 13 25.971 0.10 . 1 . . . A 25 LEU CD2 . 19764 1 354 . 1 1 25 25 LEU N N 15 119.253 0.10 . 1 . . . A 25 LEU N . 19764 1 355 . 1 1 26 26 LEU H H 1 8.639 0.01 . 1 . . . A 26 LEU H . 19764 1 356 . 1 1 26 26 LEU HA H 1 3.915 0.01 . 1 . . . A 26 LEU HA . 19764 1 357 . 1 1 26 26 LEU HB2 H 1 1.627 0.01 . 1 . . . A 26 LEU HB2 . 19764 1 358 . 1 1 26 26 LEU HB3 H 1 1.627 0.01 . 1 . . . A 26 LEU HB3 . 19764 1 359 . 1 1 26 26 LEU HG H 1 1.523 0.01 . 1 . . . A 26 LEU HG . 19764 1 360 . 1 1 26 26 LEU HD11 H 1 0.744 0.01 . 2 . . . A 26 LEU HD11 . 19764 1 361 . 1 1 26 26 LEU HD12 H 1 0.744 0.01 . 2 . . . A 26 LEU HD12 . 19764 1 362 . 1 1 26 26 LEU HD13 H 1 0.744 0.01 . 2 . . . A 26 LEU HD13 . 19764 1 363 . 1 1 26 26 LEU HD21 H 1 0.790 0.01 . 2 . . . A 26 LEU HD21 . 19764 1 364 . 1 1 26 26 LEU HD22 H 1 0.790 0.01 . 2 . . . A 26 LEU HD22 . 19764 1 365 . 1 1 26 26 LEU HD23 H 1 0.790 0.01 . 2 . . . A 26 LEU HD23 . 19764 1 366 . 1 1 26 26 LEU C C 13 178.770 0.10 . 1 . . . A 26 LEU C . 19764 1 367 . 1 1 26 26 LEU CA C 13 58.658 0.10 . 1 . . . A 26 LEU CA . 19764 1 368 . 1 1 26 26 LEU CB C 13 41.590 0.10 . 1 . . . A 26 LEU CB . 19764 1 369 . 1 1 26 26 LEU CG C 13 26.612 0.10 . 1 . . . A 26 LEU CG . 19764 1 370 . 1 1 26 26 LEU CD1 C 13 24.448 0.10 . 1 . . . A 26 LEU CD1 . 19764 1 371 . 1 1 26 26 LEU CD2 C 13 24.630 0.10 . 1 . . . A 26 LEU CD2 . 19764 1 372 . 1 1 26 26 LEU N N 15 121.151 0.10 . 1 . . . A 26 LEU N . 19764 1 373 . 1 1 27 27 ILE H H 1 8.475 0.01 . 1 . . . A 27 ILE H . 19764 1 374 . 1 1 27 27 ILE HA H 1 3.551 0.01 . 1 . . . A 27 ILE HA . 19764 1 375 . 1 1 27 27 ILE HB H 1 1.940 0.01 . 1 . . . A 27 ILE HB . 19764 1 376 . 1 1 27 27 ILE HG12 H 1 1.901 0.01 . 2 . . . A 27 ILE HG12 . 19764 1 377 . 1 1 27 27 ILE HG13 H 1 1.109 0.01 . 2 . . . A 27 ILE HG13 . 19764 1 378 . 1 1 27 27 ILE HG21 H 1 0.840 0.01 . 1 . . . A 27 ILE HG21 . 19764 1 379 . 1 1 27 27 ILE HG22 H 1 0.840 0.01 . 1 . . . A 27 ILE HG22 . 19764 1 380 . 1 1 27 27 ILE HG23 H 1 0.840 0.01 . 1 . . . A 27 ILE HG23 . 19764 1 381 . 1 1 27 27 ILE HD11 H 1 0.790 0.01 . 1 . . . A 27 ILE HD11 . 19764 1 382 . 1 1 27 27 ILE HD12 H 1 0.790 0.01 . 1 . . . A 27 ILE HD12 . 19764 1 383 . 1 1 27 27 ILE HD13 H 1 0.790 0.01 . 1 . . . A 27 ILE HD13 . 19764 1 384 . 1 1 27 27 ILE C C 13 178.333 0.10 . 1 . . . A 27 ILE C . 19764 1 385 . 1 1 27 27 ILE CA C 13 65.199 0.10 . 1 . . . A 27 ILE CA . 19764 1 386 . 1 1 27 27 ILE CB C 13 37.564 0.10 . 1 . . . A 27 ILE CB . 19764 1 387 . 1 1 27 27 ILE CG1 C 13 29.020 0.10 . 1 . . . A 27 ILE CG1 . 19764 1 388 . 1 1 27 27 ILE CG2 C 13 17.335 0.10 . 1 . . . A 27 ILE CG2 . 19764 1 389 . 1 1 27 27 ILE CD1 C 13 13.721 0.10 . 1 . . . A 27 ILE CD1 . 19764 1 390 . 1 1 27 27 ILE N N 15 118.583 0.10 . 1 . . . A 27 ILE N . 19764 1 391 . 1 1 28 28 HIS H H 1 8.415 0.01 . 1 . . . A 28 HIS H . 19764 1 392 . 1 1 28 28 HIS HA H 1 4.353 0.01 . 1 . . . A 28 HIS HA . 19764 1 393 . 1 1 28 28 HIS HB2 H 1 3.171 0.01 . 2 . . . A 28 HIS HB2 . 19764 1 394 . 1 1 28 28 HIS HB3 H 1 3.035 0.01 . 2 . . . A 28 HIS HB3 . 19764 1 395 . 1 1 28 28 HIS HD2 H 1 7.271 0.01 . 1 . . . A 28 HIS HD2 . 19764 1 396 . 1 1 28 28 HIS C C 13 176.498 0.10 . 1 . . . A 28 HIS C . 19764 1 397 . 1 1 28 28 HIS CA C 13 59.110 0.10 . 1 . . . A 28 HIS CA . 19764 1 398 . 1 1 28 28 HIS CB C 13 28.024 0.10 . 1 . . . A 28 HIS CB . 19764 1 399 . 1 1 28 28 HIS CD2 C 13 120.035 0.10 . 1 . . . A 28 HIS CD2 . 19764 1 400 . 1 1 28 28 HIS N N 15 117.341 0.10 . 1 . . . A 28 HIS N . 19764 1 401 . 1 1 29 29 PHE H H 1 8.727 0.01 . 1 . . . A 29 PHE H . 19764 1 402 . 1 1 29 29 PHE HA H 1 4.337 0.01 . 1 . . . A 29 PHE HA . 19764 1 403 . 1 1 29 29 PHE HB2 H 1 3.209 0.01 . 2 . . . A 29 PHE HB2 . 19764 1 404 . 1 1 29 29 PHE HB3 H 1 3.012 0.01 . 2 . . . A 29 PHE HB3 . 19764 1 405 . 1 1 29 29 PHE HD1 H 1 7.443 0.01 . 1 . . . A 29 PHE HD1 . 19764 1 406 . 1 1 29 29 PHE HD2 H 1 7.443 0.01 . 1 . . . A 29 PHE HD2 . 19764 1 407 . 1 1 29 29 PHE HE1 H 1 7.397 0.01 . 1 . . . A 29 PHE HE1 . 19764 1 408 . 1 1 29 29 PHE HE2 H 1 7.397 0.01 . 1 . . . A 29 PHE HE2 . 19764 1 409 . 1 1 29 29 PHE HZ H 1 7.314 0.01 . 1 . . . A 29 PHE HZ . 19764 1 410 . 1 1 29 29 PHE C C 13 176.924 0.10 . 1 . . . A 29 PHE C . 19764 1 411 . 1 1 29 29 PHE CA C 13 60.735 0.10 . 1 . . . A 29 PHE CA . 19764 1 412 . 1 1 29 29 PHE CB C 13 39.449 0.10 . 1 . . . A 29 PHE CB . 19764 1 413 . 1 1 29 29 PHE CD2 C 13 131.997 0.10 . 1 . . . A 29 PHE CD2 . 19764 1 414 . 1 1 29 29 PHE CE2 C 13 130.928 0.10 . 1 . . . A 29 PHE CE2 . 19764 1 415 . 1 1 29 29 PHE CZ C 13 129.317 0.10 . 1 . . . A 29 PHE CZ . 19764 1 416 . 1 1 29 29 PHE N N 15 115.694 0.10 . 1 . . . A 29 PHE N . 19764 1 417 . 1 1 30 30 GLU H H 1 8.319 0.01 . 1 . . . A 30 GLU H . 19764 1 418 . 1 1 30 30 GLU HA H 1 4.336 0.01 . 1 . . . A 30 GLU HA . 19764 1 419 . 1 1 30 30 GLU HB2 H 1 1.756 0.01 . 2 . . . A 30 GLU HB2 . 19764 1 420 . 1 1 30 30 GLU HB3 H 1 1.528 0.01 . 2 . . . A 30 GLU HB3 . 19764 1 421 . 1 1 30 30 GLU HG2 H 1 2.278 0.01 . 2 . . . A 30 GLU HG2 . 19764 1 422 . 1 1 30 30 GLU HG3 H 1 1.923 0.01 . 2 . . . A 30 GLU HG3 . 19764 1 423 . 1 1 30 30 GLU C C 13 176.563 0.10 . 1 . . . A 30 GLU C . 19764 1 424 . 1 1 30 30 GLU CA C 13 55.482 0.10 . 1 . . . A 30 GLU CA . 19764 1 425 . 1 1 30 30 GLU CB C 13 28.002 0.10 . 1 . . . A 30 GLU CB . 19764 1 426 . 1 1 30 30 GLU CG C 13 32.105 0.10 . 1 . . . A 30 GLU CG . 19764 1 427 . 1 1 30 30 GLU N N 15 115.099 0.10 . 1 . . . A 30 GLU N . 19764 1 428 . 1 1 31 31 GLY H H 1 7.850 0.01 . 1 . . . A 31 GLY H . 19764 1 429 . 1 1 31 31 GLY HA2 H 1 3.984 0.01 . 2 . . . A 31 GLY HA2 . 19764 1 430 . 1 1 31 31 GLY HA3 H 1 3.726 0.01 . 2 . . . A 31 GLY HA3 . 19764 1 431 . 1 1 31 31 GLY C C 13 173.766 0.10 . 1 . . . A 31 GLY C . 19764 1 432 . 1 1 31 31 GLY CA C 13 45.982 0.10 . 1 . . . A 31 GLY CA . 19764 1 433 . 1 1 31 31 GLY N N 15 107.479 0.10 . 1 . . . A 31 GLY N . 19764 1 434 . 1 1 32 32 TRP H H 1 7.530 0.01 . 1 . . . A 32 TRP H . 19764 1 435 . 1 1 32 32 TRP HA H 1 4.645 0.01 . 1 . . . A 32 TRP HA . 19764 1 436 . 1 1 32 32 TRP HB2 H 1 3.171 0.01 . 1 . . . A 32 TRP HB2 . 19764 1 437 . 1 1 32 32 TRP HB3 H 1 3.171 0.01 . 1 . . . A 32 TRP HB3 . 19764 1 438 . 1 1 32 32 TRP HD1 H 1 7.231 0.01 . 1 . . . A 32 TRP HD1 . 19764 1 439 . 1 1 32 32 TRP HE3 H 1 7.424 0.01 . 1 . . . A 32 TRP HE3 . 19764 1 440 . 1 1 32 32 TRP HZ2 H 1 7.446 0.01 . 1 . . . A 32 TRP HZ2 . 19764 1 441 . 1 1 32 32 TRP HZ3 H 1 6.961 0.01 . 1 . . . A 32 TRP HZ3 . 19764 1 442 . 1 1 32 32 TRP HH2 H 1 7.073 0.01 . 1 . . . A 32 TRP HH2 . 19764 1 443 . 1 1 32 32 TRP C C 13 175.350 0.10 . 1 . . . A 32 TRP C . 19764 1 444 . 1 1 32 32 TRP CA C 13 56.455 0.10 . 1 . . . A 32 TRP CA . 19764 1 445 . 1 1 32 32 TRP CB C 13 29.033 0.10 . 1 . . . A 32 TRP CB . 19764 1 446 . 1 1 32 32 TRP CD1 C 13 126.097 0.10 . 1 . . . A 32 TRP CD1 . 19764 1 447 . 1 1 32 32 TRP CE3 C 13 120.135 0.10 . 1 . . . A 32 TRP CE3 . 19764 1 448 . 1 1 32 32 TRP CZ2 C 13 114.308 0.10 . 1 . . . A 32 TRP CZ2 . 19764 1 449 . 1 1 32 32 TRP CZ3 C 13 121.209 0.10 . 1 . . . A 32 TRP CZ3 . 19764 1 450 . 1 1 32 32 TRP CH2 C 13 123.801 0.10 . 1 . . . A 32 TRP CH2 . 19764 1 451 . 1 1 32 32 TRP N N 15 118.981 0.10 . 1 . . . A 32 TRP N . 19764 1 452 . 1 1 33 33 ARG H H 1 7.926 0.01 . 1 . . . A 33 ARG H . 19764 1 453 . 1 1 33 33 ARG HA H 1 4.273 0.01 . 1 . . . A 33 ARG HA . 19764 1 454 . 1 1 33 33 ARG HB2 H 1 1.753 0.01 . 2 . . . A 33 ARG HB2 . 19764 1 455 . 1 1 33 33 ARG HB3 H 1 1.613 0.01 . 2 . . . A 33 ARG HB3 . 19764 1 456 . 1 1 33 33 ARG HG2 H 1 1.333 0.01 . 1 . . . A 33 ARG HG2 . 19764 1 457 . 1 1 33 33 ARG HG3 H 1 1.333 0.01 . 1 . . . A 33 ARG HG3 . 19764 1 458 . 1 1 33 33 ARG HD2 H 1 3.078 0.01 . 1 . . . A 33 ARG HD2 . 19764 1 459 . 1 1 33 33 ARG HD3 H 1 3.078 0.01 . 1 . . . A 33 ARG HD3 . 19764 1 460 . 1 1 33 33 ARG HE H 1 7.238 0.01 . 1 . . . A 33 ARG HE . 19764 1 461 . 1 1 33 33 ARG HH21 H 1 6.768 0.01 . 1 . . . A 33 ARG HH21 . 19764 1 462 . 1 1 33 33 ARG HH22 H 1 6.768 0.01 . 1 . . . A 33 ARG HH22 . 19764 1 463 . 1 1 33 33 ARG C C 13 174.990 0.10 . 1 . . . A 33 ARG C . 19764 1 464 . 1 1 33 33 ARG CA C 13 55.581 0.10 . 1 . . . A 33 ARG CA . 19764 1 465 . 1 1 33 33 ARG CB C 13 30.661 0.10 . 1 . . . A 33 ARG CB . 19764 1 466 . 1 1 33 33 ARG CG C 13 26.673 0.10 . 1 . . . A 33 ARG CG . 19764 1 467 . 1 1 33 33 ARG CD C 13 43.206 0.10 . 1 . . . A 33 ARG CD . 19764 1 468 . 1 1 33 33 ARG N N 15 121.186 0.10 . 1 . . . A 33 ARG N . 19764 1 469 . 1 1 33 33 ARG NE N 15 85.420 0.10 . 1 . . . A 33 ARG NE . 19764 1 470 . 1 1 34 34 ILE H H 1 7.591 0.01 . 1 . . . A 34 ILE H . 19764 1 471 . 1 1 34 34 ILE HA H 1 4.126 0.01 . 1 . . . A 34 ILE HA . 19764 1 472 . 1 1 34 34 ILE HB H 1 1.854 0.01 . 1 . . . A 34 ILE HB . 19764 1 473 . 1 1 34 34 ILE HG12 H 1 1.465 0.01 . 2 . . . A 34 ILE HG12 . 19764 1 474 . 1 1 34 34 ILE HG13 H 1 1.160 0.01 . 2 . . . A 34 ILE HG13 . 19764 1 475 . 1 1 34 34 ILE HG21 H 1 0.889 0.01 . 1 . . . A 34 ILE HG21 . 19764 1 476 . 1 1 34 34 ILE HG22 H 1 0.889 0.01 . 1 . . . A 34 ILE HG22 . 19764 1 477 . 1 1 34 34 ILE HG23 H 1 0.889 0.01 . 1 . . . A 34 ILE HG23 . 19764 1 478 . 1 1 34 34 ILE HD11 H 1 0.864 0.01 . 1 . . . A 34 ILE HD11 . 19764 1 479 . 1 1 34 34 ILE HD12 H 1 0.864 0.01 . 1 . . . A 34 ILE HD12 . 19764 1 480 . 1 1 34 34 ILE HD13 H 1 0.864 0.01 . 1 . . . A 34 ILE HD13 . 19764 1 481 . 1 1 34 34 ILE CA C 13 60.517 0.10 . 1 . . . A 34 ILE CA . 19764 1 482 . 1 1 34 34 ILE CB C 13 38.783 0.10 . 1 . . . A 34 ILE CB . 19764 1 483 . 1 1 34 34 ILE CG1 C 13 27.449 0.10 . 1 . . . A 34 ILE CG1 . 19764 1 484 . 1 1 34 34 ILE CG2 C 13 17.869 0.10 . 1 . . . A 34 ILE CG2 . 19764 1 485 . 1 1 34 34 ILE CD1 C 13 13.517 0.10 . 1 . . . A 34 ILE CD1 . 19764 1 486 . 1 1 34 34 ILE N N 15 119.621 0.10 . 1 . . . A 34 ILE N . 19764 1 stop_ save_