################################### # 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 17966 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 '3D 1H-15N TOCSY' . . . 17966 1 2 '3D 1H-15N NOESY' . . . 17966 1 4 '3D HNCACB' . . . 17966 1 5 '3D HNCA' . . . 17966 1 6 '3D CBCA(CO)NH' . . . 17966 1 7 '3D C(CO)NH' . . . 17966 1 8 '3D 1H-13C NOESY' . . . 17966 1 9 '3D 1H-13C NOESY' . . . 17966 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 GLY HA2 H 1 3.710 0.05 . 2 . . . . 1 GLY HA1 . 17966 1 2 . 1 1 1 1 GLY HA3 H 1 3.172 0.05 . 2 . . . . 1 GLY HA2 . 17966 1 3 . 1 1 1 1 GLY CA C 13 45.926 0.3 . 1 . . . . 1 GLY CA . 17966 1 4 . 1 1 2 2 HIS HB2 H 1 3.091 0.05 . 2 . . . . 2 HIS HB1 . 17966 1 5 . 1 1 2 2 HIS HD2 H 1 6.990 0.05 . 4 . . . . 2 HIS HD2 . 17966 1 6 . 1 1 3 3 SER HA H 1 4.484 0.05 . 1 . . . . 3 SER HA . 17966 1 7 . 1 1 3 3 SER HB2 H 1 3.870 0.05 . 2 . . . . 3 SER HB1 . 17966 1 8 . 1 1 3 3 SER CA C 13 58.294 0.3 . 1 . . . . 3 SER CA . 17966 1 9 . 1 1 3 3 SER CB C 13 63.759 0.3 . 1 . . . . 3 SER CB . 17966 1 10 . 1 1 4 4 LEU H H 1 8.732 0.05 . 1 . . . . 4 LEU HN . 17966 1 11 . 1 1 4 4 LEU HA H 1 4.606 0.05 . 1 . . . . 4 LEU HA . 17966 1 12 . 1 1 4 4 LEU HB2 H 1 1.675 0.05 . 2 . . . . 4 LEU HB2 . 17966 1 13 . 1 1 4 4 LEU HD11 H 1 0.906 0.05 . 2 . . . . 4 LEU HD11 . 17966 1 14 . 1 1 4 4 LEU HD12 H 1 0.906 0.05 . 2 . . . . 4 LEU HD13 . 17966 1 15 . 1 1 4 4 LEU HD13 H 1 0.906 0.05 . 2 . . . . 4 LEU HD13 . 17966 1 16 . 1 1 4 4 LEU CA C 13 53.405 0.3 . 1 . . . . 4 LEU CA . 17966 1 17 . 1 1 4 4 LEU CB C 13 41.900 0.3 . 1 . . . . 4 LEU CB . 17966 1 18 . 1 1 4 4 LEU CD1 C 13 23.200 0.3 . 1 . . . . 4 LEU CD1 . 17966 1 19 . 1 1 4 4 LEU N N 15 124.335 0.3 . 1 . . . . 4 LEU N . 17966 1 20 . 1 1 5 5 PRO HA H 1 4.530 0.05 . 1 . . . . 5 PRO HA . 17966 1 21 . 1 1 5 5 PRO HB2 H 1 2.502 0.05 . 2 . . . . 5 PRO HB1 . 17966 1 22 . 1 1 5 5 PRO HB3 H 1 1.903 0.05 . 2 . . . . 5 PRO HB2 . 17966 1 23 . 1 1 5 5 PRO HG2 H 1 2.116 0.05 . 2 . . . . 5 PRO HG1 . 17966 1 24 . 1 1 5 5 PRO HD2 H 1 4.051 0.05 . 2 . . . . 5 PRO HD1 . 17966 1 25 . 1 1 5 5 PRO HD3 H 1 3.453 0.05 . 2 . . . . 5 PRO HD2 . 17966 1 26 . 1 1 5 5 PRO CA C 13 62.836 0.3 . 1 . . . . 5 PRO CA . 17966 1 27 . 1 1 5 5 PRO CB C 13 31.773 0.3 . 1 . . . . 5 PRO CB . 17966 1 28 . 1 1 5 5 PRO CG C 13 27.746 0.3 . 1 . . . . 5 PRO CG . 17966 1 29 . 1 1 5 5 PRO CD C 13 50.181 0.3 . 1 . . . . 5 PRO CD . 17966 1 30 . 1 1 6 6 PHE HA H 1 4.204 0.05 . 1 . . . . 6 PHE HA . 17966 1 31 . 1 1 6 6 PHE HB2 H 1 3.388 0.05 . 2 . . . . 6 PHE HB1 . 17966 1 32 . 1 1 6 6 PHE HB3 H 1 3.111 0.05 . 2 . . . . 6 PHE HB2 . 17966 1 33 . 1 1 6 6 PHE HD1 H 1 7.279 0.05 . 3 . . . . 6 PHE HD1 . 17966 1 34 . 1 1 6 6 PHE HE1 H 1 7.208 0.05 . 3 . . . . 6 PHE HE1 . 17966 1 35 . 1 1 6 6 PHE HZ H 1 7.091 0.05 . 1 . . . . 6 PHE HZ . 17966 1 36 . 1 1 6 6 PHE CA C 13 61.398 0.3 . 1 . . . . 6 PHE CA . 17966 1 37 . 1 1 6 6 PHE CB C 13 38.964 0.3 . 1 . . . . 6 PHE CB . 17966 1 38 . 1 1 6 6 PHE CD1 C 13 132.150 0.3 . 3 . . . . 6 PHE CD1 . 17966 1 39 . 1 1 6 6 PHE CE1 C 13 130.712 0.3 . 3 . . . . 6 PHE CE1 . 17966 1 40 . 1 1 6 6 PHE CZ C 13 128.698 0.3 . 1 . . . . 6 PHE CZ . 17966 1 41 . 1 1 7 7 LYS H H 1 8.995 0.05 . 1 . . . . 7 LYS HN . 17966 1 42 . 1 1 7 7 LYS HA H 1 3.704 0.05 . 1 . . . . 7 LYS HA . 17966 1 43 . 1 1 7 7 LYS HB2 H 1 1.929 0.05 . 2 . . . . 7 LYS HB1 . 17966 1 44 . 1 1 7 7 LYS HB3 H 1 1.797 0.05 . 2 . . . . 7 LYS HB2 . 17966 1 45 . 1 1 7 7 LYS HG2 H 1 1.550 0.05 . 2 . . . . 7 LYS HG1 . 17966 1 46 . 1 1 7 7 LYS HE2 H 1 2.913 0.05 . 2 . . . . 7 LYS HE1 . 17966 1 47 . 1 1 7 7 LYS CA C 13 60.247 0.3 . 1 . . . . 7 LYS CA . 17966 1 48 . 1 1 7 7 LYS CB C 13 32.636 0.3 . 1 . . . . 7 LYS CB . 17966 1 49 . 1 1 7 7 LYS CG C 13 25.793 0.3 . 1 . . . . 7 LYS CG . 17966 1 50 . 1 1 7 7 LYS CD C 13 29.897 0.3 . 1 . . . . 7 LYS CD . 17966 1 51 . 1 1 7 7 LYS CE C 13 41.552 0.3 . 1 . . . . 7 LYS CE . 17966 1 52 . 1 1 7 7 LYS N N 15 116.488 0.3 . 1 . . . . 7 LYS N . 17966 1 53 . 1 1 8 8 VAL H H 1 7.413 0.05 . 1 . . . . 8 VAL HN . 17966 1 54 . 1 1 8 8 VAL HA H 1 3.413 0.05 . 1 . . . . 8 VAL HA . 17966 1 55 . 1 1 8 8 VAL HB H 1 2.150 0.05 . 1 . . . . 8 VAL HB . 17966 1 56 . 1 1 8 8 VAL HG21 H 1 1.032 0.05 . 2 . . . . 8 VAL HG21 . 17966 1 57 . 1 1 8 8 VAL HG22 H 1 1.032 0.05 . 2 . . . . 8 VAL HG21 . 17966 1 58 . 1 1 8 8 VAL HG23 H 1 1.032 0.05 . 2 . . . . 8 VAL HG21 . 17966 1 59 . 1 1 8 8 VAL CA C 13 67.500 0.3 . 1 . . . . 8 VAL CA . 17966 1 60 . 1 1 8 8 VAL CB C 13 32.652 0.3 . 1 . . . . 8 VAL CB . 17966 1 61 . 1 1 8 8 VAL CG1 C 13 23.200 0.3 . 1 . . . . 8 VAL CG1 . 17966 1 62 . 1 1 8 8 VAL CG2 C 13 21.700 0.3 . 1 . . . . 8 VAL CG2 . 17966 1 63 . 1 1 8 8 VAL N N 15 115.625 0.3 . 1 . . . . 8 VAL N . 17966 1 64 . 1 1 9 9 VAL H H 1 7.356 0.05 . 1 . . . . 9 VAL HN . 17966 1 65 . 1 1 9 9 VAL HA H 1 3.396 0.05 . 1 . . . . 9 VAL HA . 17966 1 66 . 1 1 9 9 VAL HB H 1 2.156 0.05 . 1 . . . . 9 VAL HB . 17966 1 67 . 1 1 9 9 VAL HG21 H 1 0.974 0.05 . 2 . . . . 9 VAL HG21 . 17966 1 68 . 1 1 9 9 VAL HG22 H 1 0.974 0.05 . 2 . . . . 9 VAL HG21 . 17966 1 69 . 1 1 9 9 VAL HG23 H 1 0.974 0.05 . 2 . . . . 9 VAL HG21 . 17966 1 70 . 1 1 9 9 VAL CA C 13 66.863 0.3 . 1 . . . . 9 VAL CA . 17966 1 71 . 1 1 9 9 VAL CB C 13 30.910 0.3 . 1 . . . . 9 VAL CB . 17966 1 72 . 1 1 9 9 VAL CG1 C 13 23.144 0.3 . 1 . . . . 9 VAL CG1 . 17966 1 73 . 1 1 9 9 VAL CG2 C 13 21.675 0.3 . 2 . . . . 9 VAL CG2 . 17966 1 74 . 1 1 9 9 VAL N N 15 115.588 0.3 . 1 . . . . 9 VAL N . 17966 1 75 . 1 1 10 10 VAL H H 1 7.732 0.05 . 1 . . . . 10 VAL HN . 17966 1 76 . 1 1 10 10 VAL HA H 1 3.361 0.05 . 1 . . . . 10 VAL HA . 17966 1 77 . 1 1 10 10 VAL HB H 1 1.830 0.05 . 1 . . . . 10 VAL HB . 17966 1 78 . 1 1 10 10 VAL HG11 H 1 0.828 0.05 . 2 . . . . 10 VAL HG11 . 17966 1 79 . 1 1 10 10 VAL HG12 H 1 0.828 0.05 . 2 . . . . 10 VAL HG11 . 17966 1 80 . 1 1 10 10 VAL HG13 H 1 0.828 0.05 . 2 . . . . 10 VAL HG11 . 17966 1 81 . 1 1 10 10 VAL HG21 H 1 0.505 0.05 . 2 . . . . 10 VAL HG21 . 17966 1 82 . 1 1 10 10 VAL HG22 H 1 0.505 0.05 . 2 . . . . 10 VAL HG21 . 17966 1 83 . 1 1 10 10 VAL HG23 H 1 0.505 0.05 . 2 . . . . 10 VAL HG21 . 17966 1 84 . 1 1 10 10 VAL CA C 13 66.863 0.3 . 1 . . . . 10 VAL CA . 17966 1 85 . 1 1 10 10 VAL CB C 13 31.198 0.3 . 1 . . . . 10 VAL CB . 17966 1 86 . 1 1 10 10 VAL CG1 C 13 21.419 0.3 . 1 . . . . 10 VAL CG1 . 17966 1 87 . 1 1 10 10 VAL CG2 C 13 23.100 0.3 . 1 . . . . 10 VAL CG2 . 17966 1 88 . 1 1 10 10 VAL N N 15 122.762 0.3 . 1 . . . . 10 VAL N . 17966 1 89 . 1 1 11 11 ILE H H 1 7.887 0.05 . 1 . . . . 11 ILE HN . 17966 1 90 . 1 1 11 11 ILE HA H 1 3.566 0.05 . 1 . . . . 11 ILE HA . 17966 1 91 . 1 1 11 11 ILE HB H 1 1.830 0.05 . 1 . . . . 11 ILE HB . 17966 1 92 . 1 1 11 11 ILE HG12 H 1 1.830 0.05 . 1 . . . . 11 ILE HG11 . 17966 1 93 . 1 1 11 11 ILE HG13 H 1 1.113 0.05 . 1 . . . . 11 ILE HG12 . 17966 1 94 . 1 1 11 11 ILE HG21 H 1 0.830 0.05 . 1 . . . . 11 ILE HG21 . 17966 1 95 . 1 1 11 11 ILE HG22 H 1 0.830 0.05 . 1 . . . . 11 ILE HG21 . 17966 1 96 . 1 1 11 11 ILE HG23 H 1 0.830 0.05 . 1 . . . . 11 ILE HG21 . 17966 1 97 . 1 1 11 11 ILE HD11 H 1 0.770 0.05 . 1 . . . . 11 ILE HD11 . 17966 1 98 . 1 1 11 11 ILE HD12 H 1 0.770 0.05 . 1 . . . . 11 ILE HD11 . 17966 1 99 . 1 1 11 11 ILE HD13 H 1 0.770 0.05 . 1 . . . . 11 ILE HD11 . 17966 1 100 . 1 1 11 11 ILE CA C 13 65.385 0.3 . 1 . . . . 11 ILE CA . 17966 1 101 . 1 1 11 11 ILE CB C 13 37.474 0.3 . 1 . . . . 11 ILE CB . 17966 1 102 . 1 1 11 11 ILE CG1 C 13 29.857 0.3 . 1 . . . . 11 ILE CG1 . 17966 1 103 . 1 1 11 11 ILE CG2 C 13 17.680 0.3 . 1 . . . . 11 ILE CG2 . 17966 1 104 . 1 1 11 11 ILE CD1 C 13 13.583 0.3 . 1 . . . . 11 ILE CD1 . 17966 1 105 . 1 1 11 11 ILE N N 15 117.481 0.3 . 1 . . . . 11 ILE N . 17966 1 106 . 1 1 12 12 SER H H 1 8.090 0.05 . 1 . . . . 12 SER HN . 17966 1 107 . 1 1 12 12 SER HA H 1 3.963 0.05 . 1 . . . . 12 SER HA . 17966 1 108 . 1 1 12 12 SER HB2 H 1 3.954 0.05 . 2 . . . . 12 SER HB1 . 17966 1 109 . 1 1 12 12 SER HB3 H 1 3.582 0.05 . 2 . . . . 12 SER HB2 . 17966 1 110 . 1 1 12 12 SER CA C 13 63.699 0.3 . 1 . . . . 12 SER CA . 17966 1 111 . 1 1 12 12 SER CB C 13 62.836 0.3 . 1 . . . . 12 SER CB . 17966 1 112 . 1 1 12 12 SER N N 15 115.516 0.3 . 1 . . . . 12 SER N . 17966 1 113 . 1 1 13 13 ALA H H 1 8.122 0.05 . 1 . . . . 13 ALA HN . 17966 1 114 . 1 1 13 13 ALA HA H 1 3.902 0.05 . 1 . . . . 13 ALA HA . 17966 1 115 . 1 1 13 13 ALA HB1 H 1 1.384 0.05 . 1 . . . . 13 ALA HB1 . 17966 1 116 . 1 1 13 13 ALA HB2 H 1 1.384 0.05 . 1 . . . . 13 ALA HB1 . 17966 1 117 . 1 1 13 13 ALA HB3 H 1 1.384 0.05 . 1 . . . . 13 ALA HB1 . 17966 1 118 . 1 1 13 13 ALA CA C 13 55.358 0.3 . 1 . . . . 13 ALA CA . 17966 1 119 . 1 1 13 13 ALA CB C 13 17.967 0.3 . 1 . . . . 13 ALA CB . 17966 1 120 . 1 1 13 13 ALA N N 15 123.174 0.3 . 1 . . . . 13 ALA N . 17966 1 121 . 1 1 14 14 ILE H H 1 7.992 0.05 . 1 . . . . 14 ILE HN . 17966 1 122 . 1 1 14 14 ILE HA H 1 3.536 0.05 . 1 . . . . 14 ILE HA . 17966 1 123 . 1 1 14 14 ILE HB H 1 1.886 0.05 . 1 . . . . 14 ILE HB . 17966 1 124 . 1 1 14 14 ILE HG12 H 1 1.900 0.05 . 1 . . . . 14 ILE HG11 . 17966 1 125 . 1 1 14 14 ILE HG13 H 1 1.000 0.05 . 1 . . . . 14 ILE HG12 . 17966 1 126 . 1 1 14 14 ILE HG21 H 1 0.830 0.05 . 1 . . . . 14 ILE HG21 . 17966 1 127 . 1 1 14 14 ILE HG22 H 1 0.830 0.05 . 1 . . . . 14 ILE HG21 . 17966 1 128 . 1 1 14 14 ILE HG23 H 1 0.830 0.05 . 1 . . . . 14 ILE HG21 . 17966 1 129 . 1 1 14 14 ILE HD11 H 1 0.770 0.05 . 1 . . . . 14 ILE HD11 . 17966 1 130 . 1 1 14 14 ILE HD12 H 1 0.770 0.05 . 1 . . . . 14 ILE HD11 . 17966 1 131 . 1 1 14 14 ILE HD13 H 1 0.770 0.05 . 1 . . . . 14 ILE HD11 . 17966 1 132 . 1 1 14 14 ILE CA C 13 65.306 0.3 . 1 . . . . 14 ILE CA . 17966 1 133 . 1 1 14 14 ILE CB C 13 37.152 0.3 . 1 . . . . 14 ILE CB . 17966 1 134 . 1 1 14 14 ILE CG1 C 13 29.500 0.3 . 1 . . . . 14 ILE CG1 . 17966 1 135 . 1 1 14 14 ILE CG2 C 13 17.286 0.3 . 1 . . . . 14 ILE CG2 . 17966 1 136 . 1 1 14 14 ILE CD1 C 13 13.379 0.3 . 1 . . . . 14 ILE CD1 . 17966 1 137 . 1 1 14 14 ILE N N 15 116.690 0.3 . 1 . . . . 14 ILE N . 17966 1 138 . 1 1 15 15 LEU H H 1 8.400 0.05 . 1 . . . . 15 LEU HN . 17966 1 139 . 1 1 15 15 LEU HA H 1 3.878 0.05 . 1 . . . . 15 LEU HA . 17966 1 140 . 1 1 15 15 LEU HB2 H 1 1.819 0.05 . 2 . . . . 15 LEU HB1 . 17966 1 141 . 1 1 15 15 LEU HB3 H 1 1.505 0.05 . 2 . . . . 15 LEU HB2 . 17966 1 142 . 1 1 15 15 LEU HG H 1 1.765 0.05 . 1 . . . . 15 LEU HG . 17966 1 143 . 1 1 15 15 LEU HD11 H 1 0.775 0.05 . 2 . . . . 15 LEU HD11 . 17966 1 144 . 1 1 15 15 LEU HD12 H 1 0.775 0.05 . 2 . . . . 15 LEU HD11 . 17966 1 145 . 1 1 15 15 LEU HD13 H 1 0.775 0.05 . 2 . . . . 15 LEU HD11 . 17966 1 146 . 1 1 15 15 LEU HD21 H 1 0.775 0.05 . 2 . . . . 15 LEU HD21 . 17966 1 147 . 1 1 15 15 LEU HD22 H 1 0.775 0.05 . 2 . . . . 15 LEU HD21 . 17966 1 148 . 1 1 15 15 LEU HD23 H 1 0.775 0.05 . 2 . . . . 15 LEU HD21 . 17966 1 149 . 1 1 15 15 LEU CA C 13 57.947 0.3 . 1 . . . . 15 LEU CA . 17966 1 150 . 1 1 15 15 LEU CB C 13 41.052 0.3 . 1 . . . . 15 LEU CB . 17966 1 151 . 1 1 15 15 LEU CG C 13 26.883 0.3 . 1 . . . . 15 LEU CG . 17966 1 152 . 1 1 15 15 LEU CD1 C 13 24.904 0.3 . 2 . . . . 15 LEU CD1 . 17966 1 153 . 1 1 15 15 LEU CD2 C 13 23.602 0.3 . 2 . . . . 15 LEU CD2 . 17966 1 154 . 1 1 15 15 LEU N N 15 119.173 0.3 . 1 . . . . 15 LEU N . 17966 1 155 . 1 1 16 16 ALA H H 1 8.432 0.05 . 1 . . . . 16 ALA HN . 17966 1 156 . 1 1 16 16 ALA HA H 1 3.799 0.05 . 1 . . . . 16 ALA HA . 17966 1 157 . 1 1 16 16 ALA HB1 H 1 1.391 0.05 . 1 . . . . 16 ALA HB1 . 17966 1 158 . 1 1 16 16 ALA HB2 H 1 1.391 0.05 . 1 . . . . 16 ALA HB1 . 17966 1 159 . 1 1 16 16 ALA HB3 H 1 1.391 0.05 . 1 . . . . 16 ALA HB1 . 17966 1 160 . 1 1 16 16 ALA CA C 13 55.646 0.3 . 1 . . . . 16 ALA CA . 17966 1 161 . 1 1 16 16 ALA CB C 13 18.027 0.3 . 1 . . . . 16 ALA CB . 17966 1 162 . 1 1 16 16 ALA N N 15 120.060 0.3 . 1 . . . . 16 ALA N . 17966 1 163 . 1 1 17 17 LEU H H 1 8.085 0.05 . 1 . . . . 17 LEU HN . 17966 1 164 . 1 1 17 17 LEU HA H 1 3.927 0.05 . 1 . . . . 17 LEU HA . 17966 1 165 . 1 1 17 17 LEU HB2 H 1 1.915 0.05 . 2 . . . . 17 LEU HB1 . 17966 1 166 . 1 1 17 17 LEU HB3 H 1 1.478 0.05 . 2 . . . . 17 LEU HB2 . 17966 1 167 . 1 1 17 17 LEU HG H 1 1.754 0.05 . 1 . . . . 17 LEU HG . 17966 1 168 . 1 1 17 17 LEU HD11 H 1 0.914 0.05 . 2 . . . . 17 LEU HD11 . 17966 1 169 . 1 1 17 17 LEU HD12 H 1 0.914 0.05 . 2 . . . . 17 LEU HD11 . 17966 1 170 . 1 1 17 17 LEU HD13 H 1 0.914 0.05 . 2 . . . . 17 LEU HD11 . 17966 1 171 . 1 1 17 17 LEU HD21 H 1 0.764 0.05 . 2 . . . . 17 LEU HD21 . 17966 1 172 . 1 1 17 17 LEU HD22 H 1 0.764 0.05 . 2 . . . . 17 LEU HD21 . 17966 1 173 . 1 1 17 17 LEU HD23 H 1 0.764 0.05 . 2 . . . . 17 LEU HD21 . 17966 1 174 . 1 1 17 17 LEU CA C 13 58.180 0.3 . 1 . . . . 17 LEU CA . 17966 1 175 . 1 1 17 17 LEU CB C 13 41.993 0.3 . 1 . . . . 17 LEU CB . 17966 1 176 . 1 1 17 17 LEU CG C 13 26.950 0.3 . 1 . . . . 17 LEU CG . 17966 1 177 . 1 1 17 17 LEU CD1 C 13 24.300 0.3 . 1 . . . . 17 LEU CD1 . 17966 1 178 . 1 1 17 17 LEU CD2 C 13 23.600 0.3 . 1 . . . . 17 LEU CD2 . 17966 1 179 . 1 1 17 17 LEU N N 15 117.358 0.3 . 1 . . . . 17 LEU N . 17966 1 180 . 1 1 18 18 VAL H H 1 8.562 0.05 . 1 . . . . 18 VAL HN . 17966 1 181 . 1 1 18 18 VAL HA H 1 3.420 0.05 . 1 . . . . 18 VAL HA . 17966 1 182 . 1 1 18 18 VAL HB H 1 2.322 0.05 . 1 . . . . 18 VAL HB . 17966 1 183 . 1 1 18 18 VAL HG11 H 1 0.974 0.05 . 2 . . . . 18 VAL HG11 . 17966 1 184 . 1 1 18 18 VAL HG12 H 1 0.974 0.05 . 2 . . . . 18 VAL HG11 . 17966 1 185 . 1 1 18 18 VAL HG13 H 1 0.974 0.05 . 2 . . . . 18 VAL HG11 . 17966 1 186 . 1 1 18 18 VAL HG21 H 1 0.827 0.05 . 2 . . . . 18 VAL HG21 . 17966 1 187 . 1 1 18 18 VAL HG22 H 1 0.827 0.05 . 2 . . . . 18 VAL HG21 . 17966 1 188 . 1 1 18 18 VAL HG23 H 1 0.827 0.05 . 2 . . . . 18 VAL HG21 . 17966 1 189 . 1 1 18 18 VAL CA C 13 67.438 0.3 . 1 . . . . 18 VAL CA . 17966 1 190 . 1 1 18 18 VAL CB C 13 30.900 0.3 . 1 . . . . 18 VAL CB . 17966 1 191 . 1 1 18 18 VAL CG1 C 13 23.144 0.3 . 1 . . . . 18 VAL CG1 . 17966 1 192 . 1 1 18 18 VAL CG2 C 13 21.419 0.3 . 1 . . . . 18 VAL CG2 . 17966 1 193 . 1 1 18 18 VAL N N 15 122.222 0.3 . 1 . . . . 18 VAL N . 17966 1 194 . 1 1 19 19 VAL H H 1 8.450 0.05 . 1 . . . . 19 VAL HN . 17966 1 195 . 1 1 19 19 VAL HA H 1 3.413 0.05 . 1 . . . . 19 VAL HA . 17966 1 196 . 1 1 19 19 VAL HB H 1 2.158 0.05 . 1 . . . . 19 VAL HB . 17966 1 197 . 1 1 19 19 VAL HG11 H 1 0.974 0.05 . 2 . . . . 19 VAL HG11 . 17966 1 198 . 1 1 19 19 VAL HG12 H 1 0.974 0.05 . 2 . . . . 19 VAL HG11 . 17966 1 199 . 1 1 19 19 VAL HG13 H 1 0.974 0.05 . 2 . . . . 19 VAL HG11 . 17966 1 200 . 1 1 19 19 VAL HG21 H 1 0.844 0.05 . 2 . . . . 19 VAL HG21 . 17966 1 201 . 1 1 19 19 VAL HG22 H 1 0.844 0.05 . 2 . . . . 19 VAL HG21 . 17966 1 202 . 1 1 19 19 VAL HG23 H 1 0.844 0.05 . 2 . . . . 19 VAL HG21 . 17966 1 203 . 1 1 19 19 VAL CA C 13 67.438 0.3 . 1 . . . . 19 VAL CA . 17966 1 204 . 1 1 19 19 VAL CB C 13 30.900 0.3 . 1 . . . . 19 VAL CB . 17966 1 205 . 1 1 19 19 VAL CG1 C 13 23.193 0.3 . 2 . . . . 19 VAL CG1 . 17966 1 206 . 1 1 19 19 VAL CG2 C 13 21.131 0.3 . 1 . . . . 19 VAL CG2 . 17966 1 207 . 1 1 19 19 VAL N N 15 119.536 0.3 . 1 . . . . 19 VAL N . 17966 1 208 . 1 1 20 20 LEU H H 1 8.614 0.05 . 1 . . . . 20 LEU HN . 17966 1 209 . 1 1 20 20 LEU HA H 1 3.937 0.05 . 1 . . . . 20 LEU HA . 17966 1 210 . 1 1 20 20 LEU HB2 H 1 1.880 0.05 . 2 . . . . 20 LEU HB1 . 17966 1 211 . 1 1 20 20 LEU HB3 H 1 1.500 0.05 . 2 . . . . 20 LEU HB2 . 17966 1 212 . 1 1 20 20 LEU HG H 1 1.800 0.05 . 1 . . . . 20 LEU HG . 17966 1 213 . 1 1 20 20 LEU HD11 H 1 0.750 0.05 . 2 . . . . 20 LEU HD11 . 17966 1 214 . 1 1 20 20 LEU HD12 H 1 0.750 0.05 . 2 . . . . 20 LEU HD11 . 17966 1 215 . 1 1 20 20 LEU HD13 H 1 0.750 0.05 . 2 . . . . 20 LEU HD11 . 17966 1 216 . 1 1 20 20 LEU CA C 13 58.234 0.3 . 1 . . . . 20 LEU CA . 17966 1 217 . 1 1 20 20 LEU CB C 13 41.672 0.3 . 1 . . . . 20 LEU CB . 17966 1 218 . 1 1 20 20 LEU CG C 13 27.046 0.3 . 1 . . . . 20 LEU CG . 17966 1 219 . 1 1 20 20 LEU CD1 C 13 24.360 0.3 . 1 . . . . 20 LEU CD1 . 17966 1 220 . 1 1 20 20 LEU CD2 C 13 23.820 0.3 . 1 . . . . 20 LEU CD2 . 17966 1 221 . 1 1 20 20 LEU N N 15 118.337 0.3 . 1 . . . . 20 LEU N . 17966 1 222 . 1 1 21 21 THR H H 1 8.274 0.05 . 1 . . . . 21 THR HN . 17966 1 223 . 1 1 21 21 THR HA H 1 3.664 0.05 . 1 . . . . 21 THR HA . 17966 1 224 . 1 1 21 21 THR HB H 1 4.267 0.05 . 1 . . . . 21 THR HB . 17966 1 225 . 1 1 21 21 THR HG21 H 1 1.027 0.05 . 1 . . . . 21 THR HG21 . 17966 1 226 . 1 1 21 21 THR HG22 H 1 1.027 0.05 . 1 . . . . 21 THR HG21 . 17966 1 227 . 1 1 21 21 THR HG23 H 1 1.027 0.05 . 1 . . . . 21 THR HG21 . 17966 1 228 . 1 1 21 21 THR CA C 13 68.301 0.3 . 1 . . . . 21 THR CA . 17966 1 229 . 1 1 21 21 THR CB C 13 67.000 0.3 . 1 . . . . 21 THR CB . 17966 1 230 . 1 1 21 21 THR CG2 C 13 20.843 0.3 . 1 . . . . 21 THR CG2 . 17966 1 231 . 1 1 21 21 THR N N 15 119.230 0.3 . 1 . . . . 21 THR N . 17966 1 232 . 1 1 22 22 ILE H H 1 8.150 0.05 . 1 . . . . 22 ILE HN . 17966 1 233 . 1 1 22 22 ILE HA H 1 3.545 0.05 . 1 . . . . 22 ILE HA . 17966 1 234 . 1 1 22 22 ILE HB H 1 2.000 0.05 . 1 . . . . 22 ILE HB . 17966 1 235 . 1 1 22 22 ILE HG12 H 1 1.900 0.05 . 1 . . . . 22 ILE HG11 . 17966 1 236 . 1 1 22 22 ILE HG13 H 1 1.000 0.05 . 1 . . . . 22 ILE HG12 . 17966 1 237 . 1 1 22 22 ILE HG21 H 1 0.830 0.05 . 1 . . . . 22 ILE HG21 . 17966 1 238 . 1 1 22 22 ILE HG22 H 1 0.830 0.05 . 1 . . . . 22 ILE HG21 . 17966 1 239 . 1 1 22 22 ILE HG23 H 1 0.830 0.05 . 1 . . . . 22 ILE HG21 . 17966 1 240 . 1 1 22 22 ILE HD11 H 1 0.770 0.05 . 1 . . . . 22 ILE HD11 . 17966 1 241 . 1 1 22 22 ILE HD12 H 1 0.770 0.05 . 1 . . . . 22 ILE HD11 . 17966 1 242 . 1 1 22 22 ILE HD13 H 1 0.770 0.05 . 1 . . . . 22 ILE HD11 . 17966 1 243 . 1 1 22 22 ILE CA C 13 65.898 0.3 . 1 . . . . 22 ILE CA . 17966 1 244 . 1 1 22 22 ILE CB C 13 37.193 0.3 . 1 . . . . 22 ILE CB . 17966 1 245 . 1 1 22 22 ILE CG1 C 13 29.277 0.3 . 1 . . . . 22 ILE CG1 . 17966 1 246 . 1 1 22 22 ILE CG2 C 13 17.158 0.3 . 1 . . . . 22 ILE CG2 . 17966 1 247 . 1 1 22 22 ILE CD1 C 13 13.003 0.3 . 1 . . . . 22 ILE CD1 . 17966 1 248 . 1 1 22 22 ILE N N 15 121.433 0.3 . 1 . . . . 22 ILE N . 17966 1 249 . 1 1 23 23 ILE HA H 1 3.546 0.05 . 1 . . . . 23 ILE HA . 17966 1 250 . 1 1 23 23 ILE HB H 1 1.917 0.05 . 1 . . . . 23 ILE HB . 17966 1 251 . 1 1 23 23 ILE HG12 H 1 1.890 0.05 . 1 . . . . 23 ILE HG11 . 17966 1 252 . 1 1 23 23 ILE HG13 H 1 1.010 0.05 . 1 . . . . 23 ILE HG12 . 17966 1 253 . 1 1 23 23 ILE HG21 H 1 0.830 0.05 . 1 . . . . 23 ILE HG21 . 17966 1 254 . 1 1 23 23 ILE HG22 H 1 0.830 0.05 . 1 . . . . 23 ILE HG21 . 17966 1 255 . 1 1 23 23 ILE HG23 H 1 0.830 0.05 . 1 . . . . 23 ILE HG21 . 17966 1 256 . 1 1 23 23 ILE HD11 H 1 0.770 0.05 . 1 . . . . 23 ILE HD11 . 17966 1 257 . 1 1 23 23 ILE HD12 H 1 0.770 0.05 . 1 . . . . 23 ILE HD11 . 17966 1 258 . 1 1 23 23 ILE HD13 H 1 0.770 0.05 . 1 . . . . 23 ILE HD11 . 17966 1 259 . 1 1 23 23 ILE CA C 13 65.684 0.3 . 1 . . . . 23 ILE CA . 17966 1 260 . 1 1 23 23 ILE CB C 13 37.238 0.3 . 1 . . . . 23 ILE CB . 17966 1 261 . 1 1 23 23 ILE CG1 C 13 29.500 0.3 . 1 . . . . 23 ILE CG1 . 17966 1 262 . 1 1 23 23 ILE CG2 C 13 17.310 0.3 . 1 . . . . 23 ILE CG2 . 17966 1 263 . 1 1 23 23 ILE CD1 C 13 13.282 0.3 . 1 . . . . 23 ILE CD1 . 17966 1 264 . 1 1 24 24 SER H H 1 8.150 0.05 . 1 . . . . 24 SER HN . 17966 1 265 . 1 1 24 24 SER HA H 1 3.955 0.05 . 1 . . . . 24 SER HA . 17966 1 266 . 1 1 24 24 SER HB2 H 1 4.066 0.05 . 2 . . . . 24 SER HB1 . 17966 1 267 . 1 1 24 24 SER HB3 H 1 3.581 0.05 . 2 . . . . 24 SER HB2 . 17966 1 268 . 1 1 24 24 SER CA C 13 63.760 0.3 . 1 . . . . 24 SER CA . 17966 1 269 . 1 1 24 24 SER CB C 13 62.836 0.3 . 1 . . . . 24 SER CB . 17966 1 270 . 1 1 24 24 SER N N 15 115.951 0.3 . 1 . . . . 24 SER N . 17966 1 271 . 1 1 25 25 LEU H H 1 8.083 0.05 . 1 . . . . 25 LEU HN . 17966 1 272 . 1 1 25 25 LEU HA H 1 3.945 0.05 . 1 . . . . 25 LEU HA . 17966 1 273 . 1 1 25 25 LEU HB2 H 1 1.818 0.05 . 2 . . . . 25 LEU HB1 . 17966 1 274 . 1 1 25 25 LEU HB3 H 1 1.653 0.05 . 2 . . . . 25 LEU HB2 . 17966 1 275 . 1 1 25 25 LEU HG H 1 1.783 0.05 . 1 . . . . 25 LEU HG . 17966 1 276 . 1 1 25 25 LEU HD11 H 1 0.787 0.05 . 2 . . . . 25 LEU HD11 . 17966 1 277 . 1 1 25 25 LEU HD12 H 1 0.787 0.05 . 2 . . . . 25 LEU HD11 . 17966 1 278 . 1 1 25 25 LEU HD13 H 1 0.787 0.05 . 2 . . . . 25 LEU HD11 . 17966 1 279 . 1 1 25 25 LEU HD21 H 1 0.765 0.05 . 2 . . . . 25 LEU HD21 . 17966 1 280 . 1 1 25 25 LEU HD22 H 1 0.765 0.05 . 2 . . . . 25 LEU HD21 . 17966 1 281 . 1 1 25 25 LEU HD23 H 1 0.765 0.05 . 2 . . . . 25 LEU HD21 . 17966 1 282 . 1 1 25 25 LEU CA C 13 58.100 0.3 . 1 . . . . 25 LEU CA . 17966 1 283 . 1 1 25 25 LEU CB C 13 41.612 0.3 . 1 . . . . 25 LEU CB . 17966 1 284 . 1 1 25 25 LEU CG C 13 26.787 0.3 . 1 . . . . 25 LEU CG . 17966 1 285 . 1 1 25 25 LEU CD1 C 13 25.090 0.3 . 2 . . . . 25 LEU CD1 . 17966 1 286 . 1 1 25 25 LEU CD2 C 13 23.740 0.3 . 2 . . . . 25 LEU CD2 . 17966 1 287 . 1 1 25 25 LEU N N 15 121.215 0.3 . 1 . . . . 25 LEU N . 17966 1 288 . 1 1 26 26 ILE H H 1 8.130 0.05 . 1 . . . . 26 ILE HN . 17966 1 289 . 1 1 26 26 ILE HA H 1 3.500 0.05 . 1 . . . . 26 ILE HA . 17966 1 290 . 1 1 26 26 ILE HB H 1 2.036 0.05 . 1 . . . . 26 ILE HB . 17966 1 291 . 1 1 26 26 ILE HG12 H 1 1.900 0.05 . 1 . . . . 26 ILE HG11 . 17966 1 292 . 1 1 26 26 ILE HG13 H 1 0.917 0.05 . 1 . . . . 26 ILE HG12 . 17966 1 293 . 1 1 26 26 ILE HG21 H 1 0.937 0.05 . 1 . . . . 26 ILE HG21 . 17966 1 294 . 1 1 26 26 ILE HG22 H 1 0.937 0.05 . 1 . . . . 26 ILE HG21 . 17966 1 295 . 1 1 26 26 ILE HG23 H 1 0.937 0.05 . 1 . . . . 26 ILE HG21 . 17966 1 296 . 1 1 26 26 ILE HD11 H 1 0.770 0.05 . 1 . . . . 26 ILE HD11 . 17966 1 297 . 1 1 26 26 ILE HD12 H 1 0.770 0.05 . 1 . . . . 26 ILE HD11 . 17966 1 298 . 1 1 26 26 ILE HD13 H 1 0.770 0.05 . 1 . . . . 26 ILE HD11 . 17966 1 299 . 1 1 26 26 ILE CA C 13 65.651 0.3 . 1 . . . . 26 ILE CA . 17966 1 300 . 1 1 26 26 ILE CB C 13 37.011 0.3 . 1 . . . . 26 ILE CB . 17966 1 301 . 1 1 26 26 ILE CG1 C 13 29.277 0.3 . 1 . . . . 26 ILE CG1 . 17966 1 302 . 1 1 26 26 ILE CG2 C 13 17.509 0.3 . 1 . . . . 26 ILE CG2 . 17966 1 303 . 1 1 26 26 ILE CD1 C 13 13.811 0.3 . 1 . . . . 26 ILE CD1 . 17966 1 304 . 1 1 26 26 ILE N N 15 118.641 0.3 . 1 . . . . 26 ILE N . 17966 1 305 . 1 1 27 27 ILE H H 1 8.238 0.05 . 1 . . . . 27 ILE HN . 17966 1 306 . 1 1 27 27 ILE HA H 1 3.532 0.05 . 1 . . . . 27 ILE HA . 17966 1 307 . 1 1 27 27 ILE HB H 1 2.026 0.05 . 1 . . . . 27 ILE HB . 17966 1 308 . 1 1 27 27 ILE HG12 H 1 1.854 0.05 . 1 . . . . 27 ILE HG11 . 17966 1 309 . 1 1 27 27 ILE HG13 H 1 1.019 0.05 . 1 . . . . 27 ILE HG12 . 17966 1 310 . 1 1 27 27 ILE HG21 H 1 0.835 0.05 . 1 . . . . 27 ILE HG21 . 17966 1 311 . 1 1 27 27 ILE HG22 H 1 0.835 0.05 . 1 . . . . 27 ILE HG21 . 17966 1 312 . 1 1 27 27 ILE HG23 H 1 0.835 0.05 . 1 . . . . 27 ILE HG21 . 17966 1 313 . 1 1 27 27 ILE HD11 H 1 0.774 0.05 . 1 . . . . 27 ILE HD11 . 17966 1 314 . 1 1 27 27 ILE HD12 H 1 0.774 0.05 . 1 . . . . 27 ILE HD11 . 17966 1 315 . 1 1 27 27 ILE HD13 H 1 0.774 0.05 . 1 . . . . 27 ILE HD11 . 17966 1 316 . 1 1 27 27 ILE CA C 13 66.000 0.3 . 1 . . . . 27 ILE CA . 17966 1 317 . 1 1 27 27 ILE CB C 13 37.238 0.3 . 1 . . . . 27 ILE CB . 17966 1 318 . 1 1 27 27 ILE CG1 C 13 29.472 0.3 . 1 . . . . 27 ILE CG1 . 17966 1 319 . 1 1 27 27 ILE CG2 C 13 17.104 0.3 . 1 . . . . 27 ILE CG2 . 17966 1 320 . 1 1 27 27 ILE CD1 C 13 13.365 0.3 . 1 . . . . 27 ILE CD1 . 17966 1 321 . 1 1 27 27 ILE N N 15 119.456 0.3 . 1 . . . . 27 ILE N . 17966 1 322 . 1 1 28 28 LEU H H 1 8.400 0.05 . 1 . . . . 28 LEU HN . 17966 1 323 . 1 1 28 28 LEU HA H 1 3.943 0.05 . 1 . . . . 28 LEU HA . 17966 1 324 . 1 1 28 28 LEU HB2 H 1 1.819 0.05 . 2 . . . . 28 LEU HB1 . 17966 1 325 . 1 1 28 28 LEU HB3 H 1 1.505 0.05 . 2 . . . . 28 LEU HB2 . 17966 1 326 . 1 1 28 28 LEU HD11 H 1 0.787 0.05 . 2 . . . . 28 LEU HD11 . 17966 1 327 . 1 1 28 28 LEU HD12 H 1 0.787 0.05 . 2 . . . . 28 LEU HD11 . 17966 1 328 . 1 1 28 28 LEU HD13 H 1 0.787 0.05 . 2 . . . . 28 LEU HD11 . 17966 1 329 . 1 1 28 28 LEU HD21 H 1 0.765 0.05 . 2 . . . . 28 LEU HD21 . 17966 1 330 . 1 1 28 28 LEU HD22 H 1 0.765 0.05 . 2 . . . . 28 LEU HD21 . 17966 1 331 . 1 1 28 28 LEU HD23 H 1 0.765 0.05 . 2 . . . . 28 LEU HD21 . 17966 1 332 . 1 1 28 28 LEU CA C 13 58.010 0.3 . 1 . . . . 28 LEU CA . 17966 1 333 . 1 1 28 28 LEU CB C 13 41.556 0.3 . 1 . . . . 28 LEU CB . 17966 1 334 . 1 1 28 28 LEU CD1 C 13 25.160 0.3 . 1 . . . . 28 LEU CD1 . 17966 1 335 . 1 1 28 28 LEU CD2 C 13 23.969 0.3 . 1 . . . . 28 LEU CD2 . 17966 1 336 . 1 1 28 28 LEU N N 15 119.173 0.3 . 1 . . . . 28 LEU N . 17966 1 337 . 1 1 29 29 ILE H H 1 8.439 0.05 . 1 . . . . 29 ILE HN . 17966 1 338 . 1 1 29 29 ILE HA H 1 3.762 0.05 . 1 . . . . 29 ILE HA . 17966 1 339 . 1 1 29 29 ILE HB H 1 2.043 0.05 . 1 . . . . 29 ILE HB . 17966 1 340 . 1 1 29 29 ILE HG12 H 1 1.880 0.05 . 1 . . . . 29 ILE HG11 . 17966 1 341 . 1 1 29 29 ILE HG13 H 1 1.010 0.05 . 1 . . . . 29 ILE HG12 . 17966 1 342 . 1 1 29 29 ILE HG21 H 1 0.928 0.05 . 1 . . . . 29 ILE HG21 . 17966 1 343 . 1 1 29 29 ILE HG22 H 1 0.928 0.05 . 1 . . . . 29 ILE HG21 . 17966 1 344 . 1 1 29 29 ILE HG23 H 1 0.928 0.05 . 1 . . . . 29 ILE HG21 . 17966 1 345 . 1 1 29 29 ILE HD11 H 1 0.776 0.05 . 1 . . . . 29 ILE HD11 . 17966 1 346 . 1 1 29 29 ILE HD12 H 1 0.776 0.05 . 1 . . . . 29 ILE HD11 . 17966 1 347 . 1 1 29 29 ILE HD13 H 1 0.776 0.05 . 1 . . . . 29 ILE HD11 . 17966 1 348 . 1 1 29 29 ILE CA C 13 65.137 0.3 . 1 . . . . 29 ILE CA . 17966 1 349 . 1 1 29 29 ILE CB C 13 37.525 0.3 . 1 . . . . 29 ILE CB . 17966 1 350 . 1 1 29 29 ILE CG1 C 13 29.800 0.3 . 1 . . . . 29 ILE CG1 . 17966 1 351 . 1 1 29 29 ILE CG2 C 13 17.680 0.3 . 1 . . . . 29 ILE CG2 . 17966 1 352 . 1 1 29 29 ILE CD1 C 13 13.634 0.3 . 1 . . . . 29 ILE CD1 . 17966 1 353 . 1 1 29 29 ILE N N 15 117.905 0.3 . 1 . . . . 29 ILE N . 17966 1 354 . 1 1 30 30 MET H H 1 8.363 0.05 . 1 . . . . 30 MET HN . 17966 1 355 . 1 1 30 30 MET HA H 1 4.198 0.05 . 1 . . . . 30 MET HA . 17966 1 356 . 1 1 30 30 MET HB2 H 1 2.768 0.05 . 2 . . . . 30 MET HB1 . 17966 1 357 . 1 1 30 30 MET HB3 H 1 2.554 0.05 . 2 . . . . 30 MET HB2 . 17966 1 358 . 1 1 30 30 MET HG2 H 1 2.336 0.05 . 2 . . . . 30 MET HG1 . 17966 1 359 . 1 1 30 30 MET HG3 H 1 2.052 0.05 . 2 . . . . 30 MET HG2 . 17966 1 360 . 1 1 30 30 MET HE1 H 1 2.010 0.05 . 1 . . . . 30 MET HE1 . 17966 1 361 . 1 1 30 30 MET HE2 H 1 2.010 0.05 . 1 . . . . 30 MET HE1 . 17966 1 362 . 1 1 30 30 MET HE3 H 1 2.010 0.05 . 1 . . . . 30 MET HE1 . 17966 1 363 . 1 1 30 30 MET CA C 13 58.809 0.3 . 1 . . . . 30 MET CA . 17966 1 364 . 1 1 30 30 MET CB C 13 32.636 0.3 . 1 . . . . 30 MET CB . 17966 1 365 . 1 1 30 30 MET CG C 13 32.061 0.3 . 1 . . . . 30 MET CG . 17966 1 366 . 1 1 30 30 MET CE C 13 17.164 0.3 . 1 . . . . 30 MET CE . 17966 1 367 . 1 1 30 30 MET N N 15 118.388 0.3 . 1 . . . . 30 MET N . 17966 1 368 . 1 1 31 31 LEU H H 1 8.570 0.05 . 1 . . . . 31 LEU HN . 17966 1 369 . 1 1 31 31 LEU HA H 1 3.954 0.05 . 1 . . . . 31 LEU HA . 17966 1 370 . 1 1 31 31 LEU HB2 H 1 1.997 0.05 . 2 . . . . 31 LEU HB1 . 17966 1 371 . 1 1 31 31 LEU HB3 H 1 1.527 0.05 . 2 . . . . 31 LEU HB2 . 17966 1 372 . 1 1 31 31 LEU HG H 1 1.923 0.05 . 1 . . . . 31 LEU HG . 17966 1 373 . 1 1 31 31 LEU HD11 H 1 0.783 0.05 . 2 . . . . 31 LEU HD11 . 17966 1 374 . 1 1 31 31 LEU HD12 H 1 0.783 0.05 . 2 . . . . 31 LEU HD11 . 17966 1 375 . 1 1 31 31 LEU HD13 H 1 0.783 0.05 . 2 . . . . 31 LEU HD11 . 17966 1 376 . 1 1 31 31 LEU HD21 H 1 0.765 0.05 . 2 . . . . 31 LEU HD21 . 17966 1 377 . 1 1 31 31 LEU HD22 H 1 0.765 0.05 . 2 . . . . 31 LEU HD21 . 17966 1 378 . 1 1 31 31 LEU HD23 H 1 0.765 0.05 . 2 . . . . 31 LEU HD21 . 17966 1 379 . 1 1 31 31 LEU CA C 13 58.010 0.3 . 1 . . . . 31 LEU CA . 17966 1 380 . 1 1 31 31 LEU CB C 13 41.900 0.3 . 1 . . . . 31 LEU CB . 17966 1 381 . 1 1 31 31 LEU CG C 13 26.660 0.3 . 1 . . . . 31 LEU CG . 17966 1 382 . 1 1 31 31 LEU CD1 C 13 24.900 0.3 . 1 . . . . 31 LEU CD1 . 17966 1 383 . 1 1 31 31 LEU CD2 C 13 23.144 0.3 . 1 . . . . 31 LEU CD2 . 17966 1 384 . 1 1 31 31 LEU N N 15 119.261 0.3 . 1 . . . . 31 LEU N . 17966 1 385 . 1 1 32 32 TRP H H 1 8.567 0.05 . 1 . . . . 32 TRP HN . 17966 1 386 . 1 1 32 32 TRP HA H 1 4.446 0.05 . 1 . . . . 32 TRP HA . 17966 1 387 . 1 1 32 32 TRP HB2 H 1 3.430 0.05 . 2 . . . . 32 TRP HB1 . 17966 1 388 . 1 1 32 32 TRP HB3 H 1 3.410 0.05 . 2 . . . . 32 TRP HB2 . 17966 1 389 . 1 1 32 32 TRP HD1 H 1 7.183 0.05 . 1 . . . . 32 TRP HD1 . 17966 1 390 . 1 1 32 32 TRP HE1 H 1 10.481 0.05 . 1 . . . . 32 TRP HE1 . 17966 1 391 . 1 1 32 32 TRP HE3 H 1 7.534 0.05 . 1 . . . . 32 TRP HE3 . 17966 1 392 . 1 1 32 32 TRP HZ2 H 1 7.485 0.05 . 1 . . . . 32 TRP HZ2 . 17966 1 393 . 1 1 32 32 TRP HZ3 H 1 6.946 0.05 . 1 . . . . 32 TRP HZ3 . 17966 1 394 . 1 1 32 32 TRP HH2 H 1 7.098 0.05 . 1 . . . . 32 TRP HH2 . 17966 1 395 . 1 1 32 32 TRP CA C 13 58.809 0.3 . 1 . . . . 32 TRP CA . 17966 1 396 . 1 1 32 32 TRP CB C 13 29.184 0.3 . 1 . . . . 32 TRP CB . 17966 1 397 . 1 1 32 32 TRP CD1 C 13 125.534 0.3 . 1 . . . . 32 TRP CD1 . 17966 1 398 . 1 1 32 32 TRP CE3 C 13 120.070 0.3 . 1 . . . . 32 TRP CE3 . 17966 1 399 . 1 1 32 32 TRP CZ2 C 13 114.605 0.3 . 1 . . . . 32 TRP CZ2 . 17966 1 400 . 1 1 32 32 TRP CZ3 C 13 120.645 0.3 . 1 . . . . 32 TRP CZ3 . 17966 1 401 . 1 1 32 32 TRP CH2 C 13 123.521 0.3 . 1 . . . . 32 TRP CH2 . 17966 1 402 . 1 1 32 32 TRP N N 15 120.616 0.3 . 1 . . . . 32 TRP N . 17966 1 403 . 1 1 32 32 TRP NE1 N 15 134.508 0.3 . 1 . . . . 32 TRP NE1 . 17966 1 404 . 1 1 33 33 GLN H H 1 8.089 0.05 . 1 . . . . 33 GLN HN . 17966 1 405 . 1 1 33 33 GLN HA H 1 4.036 0.05 . 1 . . . . 33 GLN HA . 17966 1 406 . 1 1 33 33 GLN HB2 H 1 2.154 0.05 . 2 . . . . 33 GLN HB1 . 17966 1 407 . 1 1 33 33 GLN HG2 H 1 2.389 0.05 . 2 . . . . 33 GLN HG1 . 17966 1 408 . 1 1 33 33 GLN CA C 13 56.796 0.3 . 1 . . . . 33 GLN CA . 17966 1 409 . 1 1 33 33 GLN CB C 13 28.897 0.3 . 1 . . . . 33 GLN CB . 17966 1 410 . 1 1 33 33 GLN CG C 13 34.362 0.3 . 1 . . . . 33 GLN CG . 17966 1 411 . 1 1 33 33 GLN N N 15 116.279 0.3 . 1 . . . . 33 GLN N . 17966 1 412 . 1 1 34 34 LYS H H 1 7.804 0.05 . 1 . . . . 34 LYS HN . 17966 1 413 . 1 1 34 34 LYS HA H 1 4.197 0.05 . 1 . . . . 34 LYS HA . 17966 1 414 . 1 1 34 34 LYS HB2 H 1 1.716 0.05 . 2 . . . . 34 LYS HB1 . 17966 1 415 . 1 1 34 34 LYS HG2 H 1 1.465 0.05 . 2 . . . . 34 LYS HG1 . 17966 1 416 . 1 1 34 34 LYS HD2 H 1 1.657 0.05 . 2 . . . . 34 LYS HD1 . 17966 1 417 . 1 1 34 34 LYS HE2 H 1 2.879 0.05 . 2 . . . . 34 LYS HE1 . 17966 1 418 . 1 1 34 34 LYS CA C 13 56.180 0.3 . 1 . . . . 34 LYS CA . 17966 1 419 . 1 1 34 34 LYS CB C 13 32.696 0.3 . 1 . . . . 34 LYS CB . 17966 1 420 . 1 1 34 34 LYS CG C 13 24.643 0.3 . 1 . . . . 34 LYS CG . 17966 1 421 . 1 1 34 34 LYS CD C 13 28.938 0.3 . 1 . . . . 34 LYS CD . 17966 1 422 . 1 1 34 34 LYS CE C 13 41.612 0.3 . 1 . . . . 34 LYS CE . 17966 1 423 . 1 1 34 34 LYS N N 15 119.059 0.3 . 1 . . . . 34 LYS N . 17966 1 424 . 1 1 35 35 LYS H H 1 7.929 0.05 . 1 . . . . 35 LYS HN . 17966 1 425 . 1 1 35 35 LYS HA H 1 4.433 0.05 . 1 . . . . 35 LYS HA . 17966 1 426 . 1 1 35 35 LYS HB2 H 1 1.728 0.05 . 2 . . . . 35 LYS HB1 . 17966 1 427 . 1 1 35 35 LYS HG2 H 1 1.399 0.05 . 2 . . . . 35 LYS HG1 . 17966 1 428 . 1 1 35 35 LYS HD2 H 1 1.738 0.05 . 2 . . . . 35 LYS HD1 . 17966 1 429 . 1 1 35 35 LYS HE2 H 1 2.866 0.05 . 2 . . . . 35 LYS HE1 . 17966 1 430 . 1 1 35 35 LYS CA C 13 54.555 0.3 . 1 . . . . 35 LYS CA . 17966 1 431 . 1 1 35 35 LYS CB C 13 32.408 0.3 . 1 . . . . 35 LYS CB . 17966 1 432 . 1 1 35 35 LYS CG C 13 24.067 0.3 . 1 . . . . 35 LYS CG . 17966 1 433 . 1 1 35 35 LYS CE C 13 41.610 0.3 . 1 . . . . 35 LYS CE . 17966 1 434 . 1 1 35 35 LYS N N 15 122.377 0.3 . 1 . . . . 35 LYS N . 17966 1 435 . 1 1 36 36 PRO HA H 1 4.307 0.05 . 1 . . . . 36 PRO HA . 17966 1 436 . 1 1 36 36 PRO HB2 H 1 2.044 0.05 . 2 . . . . 36 PRO HB1 . 17966 1 437 . 1 1 36 36 PRO HB3 H 1 1.686 0.05 . 2 . . . . 36 PRO HB2 . 17966 1 438 . 1 1 36 36 PRO HG2 H 1 1.934 0.05 . 2 . . . . 36 PRO HG1 . 17966 1 439 . 1 1 36 36 PRO HD2 H 1 3.765 0.05 . 2 . . . . 36 PRO HD1 . 17966 1 440 . 1 1 36 36 PRO HD3 H 1 3.561 0.05 . 2 . . . . 36 PRO HD2 . 17966 1 441 . 1 1 36 36 PRO CA C 13 62.836 0.3 . 1 . . . . 36 PRO CA . 17966 1 442 . 1 1 36 36 PRO CB C 13 31.773 0.3 . 1 . . . . 36 PRO CB . 17966 1 443 . 1 1 36 36 PRO CG C 13 27.459 0.3 . 1 . . . . 36 PRO CG . 17966 1 444 . 1 1 36 36 PRO CD C 13 50.181 0.3 . 1 . . . . 36 PRO CD . 17966 1 445 . 1 1 37 37 ARG H H 1 8.128 0.05 . 1 . . . . 37 ARG HN . 17966 1 446 . 1 1 37 37 ARG HA H 1 4.235 0.05 . 1 . . . . 37 ARG HA . 17966 1 447 . 1 1 37 37 ARG HB2 H 1 1.696 0.05 . 2 . . . . 37 ARG HB1 . 17966 1 448 . 1 1 37 37 ARG HG2 H 1 1.506 0.05 . 2 . . . . 37 ARG HG1 . 17966 1 449 . 1 1 37 37 ARG HD2 H 1 3.120 0.05 . 2 . . . . 37 ARG HD1 . 17966 1 450 . 1 1 37 37 ARG CA C 13 55.358 0.3 . 1 . . . . 37 ARG CA . 17966 1 451 . 1 1 37 37 ARG CB C 13 30.910 0.3 . 1 . . . . 37 ARG CB . 17966 1 452 . 1 1 37 37 ARG CG C 13 27.035 0.3 . 1 . . . . 37 ARG CG . 17966 1 453 . 1 1 37 37 ARG CD C 13 42.990 0.3 . 1 . . . . 37 ARG CD . 17966 1 454 . 1 1 37 37 ARG N N 15 120.373 0.3 . 1 . . . . 37 ARG N . 17966 1 455 . 1 1 38 38 TYR H H 1 8.161 0.05 . 1 . . . . 38 TYR HN . 17966 1 456 . 1 1 38 38 TYR HA H 1 4.562 0.05 . 1 . . . . 38 TYR HA . 17966 1 457 . 1 1 38 38 TYR HB2 H 1 3.092 0.05 . 2 . . . . 38 TYR HB1 . 17966 1 458 . 1 1 38 38 TYR HB3 H 1 2.851 0.05 . 2 . . . . 38 TYR HB2 . 17966 1 459 . 1 1 38 38 TYR HD1 H 1 7.099 0.05 . 3 . . . . 38 TYR HD1 . 17966 1 460 . 1 1 38 38 TYR HE1 H 1 6.790 0.05 . 3 . . . . 38 TYR HE1 . 17966 1 461 . 1 1 38 38 TYR CA C 13 57.371 0.3 . 1 . . . . 38 TYR CA . 17966 1 462 . 1 1 38 38 TYR CB C 13 38.676 0.3 . 1 . . . . 38 TYR CB . 17966 1 463 . 1 1 38 38 TYR CD1 C 13 133.013 0.3 . 3 . . . . 38 TYR CD1 . 17966 1 464 . 1 1 38 38 TYR CE1 C 13 117.769 0.3 . 3 . . . . 38 TYR CE1 . 17966 1 465 . 1 1 38 38 TYR N N 15 121.508 0.3 . 1 . . . . 38 TYR N . 17966 1 466 . 1 1 39 39 GLU H H 1 7.757 0.05 . 1 . . . . 39 GLU HN . 17966 1 467 . 1 1 39 39 GLU HA H 1 4.082 0.05 . 1 . . . . 39 GLU HA . 17966 1 468 . 1 1 39 39 GLU HB2 H 1 1.994 0.05 . 2 . . . . 39 GLU HB1 . 17966 1 469 . 1 1 39 39 GLU HB3 H 1 1.847 0.05 . 2 . . . . 39 GLU HB2 . 17966 1 470 . 1 1 39 39 GLU HG2 H 1 2.098 0.05 . 2 . . . . 39 GLU HG1 . 17966 1 471 . 1 1 39 39 GLU HG3 H 1 1.984 0.05 . 2 . . . . 39 GLU HG2 . 17966 1 472 . 1 1 39 39 GLU CA C 13 57.371 0.3 . 1 . . . . 39 GLU CA . 17966 1 473 . 1 1 39 39 GLU CB C 13 31.485 0.3 . 1 . . . . 39 GLU CB . 17966 1 474 . 1 1 39 39 GLU CG C 13 36.435 0.3 . 1 . . . . 39 GLU CG . 17966 1 475 . 1 1 39 39 GLU N N 15 126.488 0.3 . 1 . . . . 39 GLU N . 17966 1 stop_ save_