################################### # 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 18080 _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' . . . 18080 1 2 '2D 1H-13C HSQC' . . . 18080 1 3 '3D HNCO' . . . 18080 1 4 '3D HNCA' . . . 18080 1 5 '3D HN(CO)CA' . . . 18080 1 9 '3D 1H-15N NOESY' . . . 18080 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 4.018 0.000 . 1 . . . A 1 GLY HA2 . 18080 1 2 . 1 1 1 1 GLY HA3 H 1 4.018 0.000 . 1 . . . A 1 GLY HA3 . 18080 1 3 . 1 1 1 1 GLY CA C 13 40.899 0.000 . 1 . . . A 1 GLY CA . 18080 1 4 . 1 1 2 2 SER H H 1 8.902 0.000 . 1 . . . A 2 SER H . 18080 1 5 . 1 1 2 2 SER HA H 1 4.722 0.000 . 1 . . . A 2 SER HA . 18080 1 6 . 1 1 2 2 SER HB3 H 1 4.578 0.000 . 1 . . . A 2 SER HB3 . 18080 1 7 . 1 1 2 2 SER CA C 13 56.168 0.000 . 1 . . . A 2 SER CA . 18080 1 8 . 1 1 2 2 SER N N 15 116.055 0.000 . 1 . . . A 2 SER N . 18080 1 9 . 1 1 3 3 GLN H H 1 8.817 0.000 . 1 . . . A 3 GLN H . 18080 1 10 . 1 1 3 3 GLN HA H 1 4.329 0.000 . 1 . . . A 3 GLN HA . 18080 1 11 . 1 1 3 3 GLN HB3 H 1 2.168 0.000 . 1 . . . A 3 GLN HB3 . 18080 1 12 . 1 1 3 3 GLN HG3 H 1 2.455 0.000 . 1 . . . A 3 GLN HG3 . 18080 1 13 . 1 1 3 3 GLN HE21 H 1 7.521 0.000 . 2 . . . A 3 GLN HE21 . 18080 1 14 . 1 1 3 3 GLN HE22 H 1 6.901 0.000 . 2 . . . A 3 GLN HE22 . 18080 1 15 . 1 1 3 3 GLN CA C 13 54.674 0.000 . 1 . . . A 3 GLN CA . 18080 1 16 . 1 1 3 3 GLN CB C 13 26.279 0.000 . 1 . . . A 3 GLN CB . 18080 1 17 . 1 1 3 3 GLN CG C 13 31.474 0.000 . 1 . . . A 3 GLN CG . 18080 1 18 . 1 1 3 3 GLN N N 15 123.740 0.000 . 1 . . . A 3 GLN N . 18080 1 19 . 1 1 3 3 GLN NE2 N 15 111.630 0.000 . 1 . . . A 3 GLN NE2 . 18080 1 20 . 1 1 4 4 LYS H H 1 8.442 0.000 . 1 . . . A 4 LYS H . 18080 1 21 . 1 1 4 4 LYS HA H 1 4.286 0.000 . 1 . . . A 4 LYS HA . 18080 1 22 . 1 1 4 4 LYS HB3 H 1 1.921 0.000 . 1 . . . A 4 LYS HB3 . 18080 1 23 . 1 1 4 4 LYS HG3 H 1 1.658 0.000 . 2 . . . A 4 LYS HG3 . 18080 1 24 . 1 1 4 4 LYS HD3 H 1 1.813 0.000 . 1 . . . A 4 LYS HD3 . 18080 1 25 . 1 1 4 4 LYS HE3 H 1 3.085 0.000 . 1 . . . A 4 LYS HE3 . 18080 1 26 . 1 1 4 4 LYS CA C 13 55.656 0.000 . 1 . . . A 4 LYS CA . 18080 1 27 . 1 1 4 4 LYS CB C 13 30.427 0.000 . 1 . . . A 4 LYS CB . 18080 1 28 . 1 1 4 4 LYS CG C 13 22.512 0.000 . 1 . . . A 4 LYS CG . 18080 1 29 . 1 1 4 4 LYS CD C 13 26.538 0.000 . 1 . . . A 4 LYS CD . 18080 1 30 . 1 1 4 4 LYS CE C 13 39.592 0.000 . 1 . . . A 4 LYS CE . 18080 1 31 . 1 1 4 4 LYS N N 15 120.182 0.000 . 1 . . . A 4 LYS N . 18080 1 32 . 1 1 5 5 LEU H H 1 8.181 0.000 . 1 . . . A 5 LEU H . 18080 1 33 . 1 1 5 5 LEU HA H 1 4.333 0.000 . 1 . . . A 5 LEU HA . 18080 1 34 . 1 1 5 5 LEU HB3 H 1 1.754 0.000 . 1 . . . A 5 LEU HB3 . 18080 1 35 . 1 1 5 5 LEU HG H 1 1.844 0.000 . 1 . . . A 5 LEU HG . 18080 1 36 . 1 1 5 5 LEU HD11 H 1 1.085 0.000 . 2 . . . A 5 LEU HD11 . 18080 1 37 . 1 1 5 5 LEU HD12 H 1 1.085 0.000 . 2 . . . A 5 LEU HD12 . 18080 1 38 . 1 1 5 5 LEU HD13 H 1 1.085 0.000 . 2 . . . A 5 LEU HD13 . 18080 1 39 . 1 1 5 5 LEU HD21 H 1 1.013 0.000 . 2 . . . A 5 LEU HD21 . 18080 1 40 . 1 1 5 5 LEU HD22 H 1 1.013 0.000 . 2 . . . A 5 LEU HD22 . 18080 1 41 . 1 1 5 5 LEU HD23 H 1 1.013 0.000 . 2 . . . A 5 LEU HD23 . 18080 1 42 . 1 1 5 5 LEU CA C 13 54.479 0.000 . 1 . . . A 5 LEU CA . 18080 1 43 . 1 1 5 5 LEU CB C 13 39.457 0.000 . 1 . . . A 5 LEU CB . 18080 1 44 . 1 1 5 5 LEU CG C 13 24.931 0.000 . 1 . . . A 5 LEU CG . 18080 1 45 . 1 1 5 5 LEU CD1 C 13 22.432 0.000 . 1 . . . A 5 LEU CD1 . 18080 1 46 . 1 1 5 5 LEU CD2 C 13 21.475 0.000 . 1 . . . A 5 LEU CD2 . 18080 1 47 . 1 1 5 5 LEU N N 15 119.225 0.000 . 1 . . . A 5 LEU N . 18080 1 48 . 1 1 6 6 VAL H H 1 7.749 0.000 . 1 . . . A 6 VAL H . 18080 1 49 . 1 1 6 6 VAL HA H 1 3.859 0.000 . 1 . . . A 6 VAL HA . 18080 1 50 . 1 1 6 6 VAL HB H 1 2.152 0.000 . 1 . . . A 6 VAL HB . 18080 1 51 . 1 1 6 6 VAL HG11 H 1 1.045 0.000 . 1 . . . A 6 VAL HG11 . 18080 1 52 . 1 1 6 6 VAL HG12 H 1 1.045 0.000 . 1 . . . A 6 VAL HG11 . 18080 1 53 . 1 1 6 6 VAL HG13 H 1 1.045 0.000 . 1 . . . A 6 VAL HG13 . 18080 1 54 . 1 1 6 6 VAL HG21 H 1 0.931 0.000 . 1 . . . A 6 VAL HG21 . 18080 1 55 . 1 1 6 6 VAL HG22 H 1 0.931 0.000 . 1 . . . A 6 VAL HG22 . 18080 1 56 . 1 1 6 6 VAL HG23 H 1 0.931 0.000 . 1 . . . A 6 VAL HG23 . 18080 1 57 . 1 1 6 6 VAL CA C 13 62.483 0.000 . 1 . . . A 6 VAL CA . 18080 1 58 . 1 1 6 6 VAL CB C 13 29.618 0.000 . 1 . . . A 6 VAL CB . 18080 1 59 . 1 1 6 6 VAL CG1 C 13 19.438 0.000 . 1 . . . A 6 VAL CG1 . 18080 1 60 . 1 1 6 6 VAL CG2 C 13 18.621 0.000 . 1 . . . A 6 VAL CG2 . 18080 1 61 . 1 1 6 6 VAL N N 15 118.118 0.000 . 1 . . . A 6 VAL N . 18080 1 62 . 1 1 7 7 PHE H H 1 7.989 0.000 . 1 . . . A 7 PHE H . 18080 1 63 . 1 1 7 7 PHE HA H 1 4.511 0.000 . 1 . . . A 7 PHE HA . 18080 1 64 . 1 1 7 7 PHE HB3 H 1 3.206 0.000 . 1 . . . A 7 PHE HB3 . 18080 1 65 . 1 1 7 7 PHE HD1 H 1 7.256 0.000 . 1 . . . A 7 PHE HD1 . 18080 1 66 . 1 1 7 7 PHE HD2 H 1 7.256 0.000 . 1 . . . A 7 PHE HD2 . 18080 1 67 . 1 1 7 7 PHE CA C 13 57.016 0.000 . 1 . . . A 7 PHE CA . 18080 1 68 . 1 1 7 7 PHE CB C 13 36.183 0.000 . 1 . . . A 7 PHE CB . 18080 1 69 . 1 1 7 7 PHE N N 15 119.494 0.000 . 1 . . . A 7 PHE N . 18080 1 70 . 1 1 8 8 PHE H H 1 8.031 0.000 . 1 . . . A 8 PHE H . 18080 1 71 . 1 1 8 8 PHE HA H 1 4.445 0.000 . 1 . . . A 8 PHE HA . 18080 1 72 . 1 1 8 8 PHE HB3 H 1 3.277 0.000 . 1 . . . A 8 PHE HB3 . 18080 1 73 . 1 1 8 8 PHE HD1 H 1 7.278 0.000 . 1 . . . A 8 PHE HD1 . 18080 1 74 . 1 1 8 8 PHE HD2 H 1 7.278 0.000 . 1 . . . A 8 PHE HD2 . 18080 1 75 . 1 1 8 8 PHE CA C 13 57.437 0.000 . 1 . . . A 8 PHE CA . 18080 1 76 . 1 1 8 8 PHE CB C 13 36.634 0.000 . 1 . . . A 8 PHE CB . 18080 1 77 . 1 1 8 8 PHE N N 15 118.388 0.000 . 1 . . . A 8 PHE N . 18080 1 78 . 1 1 9 9 ALA H H 1 8.246 0.000 . 1 . . . A 9 ALA H . 18080 1 79 . 1 1 9 9 ALA HA H 1 4.066 0.000 . 1 . . . A 9 ALA HA . 18080 1 80 . 1 1 9 9 ALA HB1 H 1 1.566 0.000 . 1 . . . A 9 ALA HB1 . 18080 1 81 . 1 1 9 9 ALA HB2 H 1 1.566 0.000 . 1 . . . A 9 ALA HB3 . 18080 1 82 . 1 1 9 9 ALA HB3 H 1 1.566 0.000 . 1 . . . A 9 ALA HB3 . 18080 1 83 . 1 1 9 9 ALA CA C 13 52.027 0.000 . 1 . . . A 9 ALA CA . 18080 1 84 . 1 1 9 9 ALA CB C 13 16.190 0.000 . 1 . . . A 9 ALA CB . 18080 1 85 . 1 1 9 9 ALA N N 15 120.899 0.000 . 1 . . . A 9 ALA N . 18080 1 86 . 1 1 10 10 GLU H H 1 8.167 0.000 . 1 . . . A 10 GLU H . 18080 1 87 . 1 1 10 10 GLU HA H 1 4.239 0.000 . 1 . . . A 10 GLU HA . 18080 1 88 . 1 1 10 10 GLU HB3 H 1 2.226 0.000 . 1 . . . A 10 GLU HB3 . 18080 1 89 . 1 1 10 10 GLU HG3 H 1 2.699 0.000 . 2 . . . A 10 GLU HG3 . 18080 1 90 . 1 1 10 10 GLU CA C 13 55.032 0.000 . 1 . . . A 10 GLU CA . 18080 1 91 . 1 1 10 10 GLU CB C 13 26.033 0.000 . 1 . . . A 10 GLU CB . 18080 1 92 . 1 1 10 10 GLU CG C 13 30.933 0.000 . 1 . . . A 10 GLU CG . 18080 1 93 . 1 1 10 10 GLU N N 15 115.098 0.000 . 1 . . . A 10 GLU N . 18080 1 94 . 1 1 11 11 ASP H H 1 8.174 0.000 . 1 . . . A 11 ASP H . 18080 1 95 . 1 1 11 11 ASP HA H 1 4.711 0.000 . 1 . . . A 11 ASP HA . 18080 1 96 . 1 1 11 11 ASP HB3 H 1 2.922 0.000 . 1 . . . A 11 ASP HB3 . 18080 1 97 . 1 1 11 11 ASP CA C 13 52.033 0.000 . 1 . . . A 11 ASP CA . 18080 1 98 . 1 1 11 11 ASP N N 15 118.059 0.000 . 1 . . . A 11 ASP N . 18080 1 99 . 1 1 12 12 VAL H H 1 7.846 0.000 . 1 . . . A 12 VAL H . 18080 1 100 . 1 1 12 12 VAL HA H 1 4.059 0.000 . 1 . . . A 12 VAL HA . 18080 1 101 . 1 1 12 12 VAL HB H 1 2.174 0.000 . 1 . . . A 12 VAL HB . 18080 1 102 . 1 1 12 12 VAL HG11 H 1 0.927 0.000 . 1 . . . A 12 VAL HG11 . 18080 1 103 . 1 1 12 12 VAL HG12 H 1 0.927 0.000 . 1 . . . A 12 VAL HG12 . 18080 1 104 . 1 1 12 12 VAL HG13 H 1 0.927 0.000 . 1 . . . A 12 VAL HG13 . 18080 1 105 . 1 1 12 12 VAL HG21 H 1 0.927 0.000 . 1 . . . A 12 VAL HG21 . 18080 1 106 . 1 1 12 12 VAL HG22 H 1 0.927 0.000 . 1 . . . A 12 VAL HG22 . 18080 1 107 . 1 1 12 12 VAL HG23 H 1 0.927 0.000 . 1 . . . A 12 VAL HG23 . 18080 1 108 . 1 1 12 12 VAL CA C 13 61.057 0.000 . 1 . . . A 12 VAL CA . 18080 1 109 . 1 1 12 12 VAL CB C 13 29.513 0.000 . 1 . . . A 12 VAL CB . 18080 1 110 . 1 1 12 12 VAL CG1 C 13 18.769 0.000 . 1 . . . A 12 VAL CG1 . 18080 1 111 . 1 1 12 12 VAL N N 15 116.474 0.000 . 1 . . . A 12 VAL N . 18080 1 112 . 1 1 13 13 GLY H H 1 8.163 0.000 . 1 . . . A 13 GLY H . 18080 1 113 . 1 1 13 13 GLY HA2 H 1 3.995 0.000 . 1 . . . A 13 GLY HA2 . 18080 1 114 . 1 1 13 13 GLY HA3 H 1 3.995 0.000 . 1 . . . A 13 GLY HA3 . 18080 1 115 . 1 1 13 13 GLY CA C 13 43.545 0.000 . 1 . . . A 13 GLY CA . 18080 1 116 . 1 1 13 13 GLY N N 15 107.383 0.000 . 1 . . . A 13 GLY N . 18080 1 117 . 1 1 14 14 SER H H 1 8.031 0.000 . 1 . . . A 14 SER H . 18080 1 118 . 1 1 14 14 SER HA H 1 4.567 0.000 . 1 . . . A 14 SER HA . 18080 1 119 . 1 1 14 14 SER HB3 H 1 4.065 0.000 . 2 . . . A 14 SER HB3 . 18080 1 120 . 1 1 14 14 SER CA C 13 56.065 0.000 . 1 . . . A 14 SER CA . 18080 1 121 . 1 1 14 14 SER CB C 13 61.566 0.000 . 1 . . . A 14 SER CB . 18080 1 122 . 1 1 14 14 SER N N 15 113.723 0.000 . 1 . . . A 14 SER N . 18080 1 123 . 1 1 15 15 ASN H H 1 8.334 0.000 . 1 . . . A 15 ASN H . 18080 1 124 . 1 1 15 15 ASN HA H 1 4.889 0.000 . 1 . . . A 15 ASN HA . 18080 1 125 . 1 1 15 15 ASN HB3 H 1 3.018 0.000 . 2 . . . A 15 ASN HB3 . 18080 1 126 . 1 1 15 15 ASN HD21 H 1 7.050 0.000 . 2 . . . A 15 ASN HD21 . 18080 1 127 . 1 1 15 15 ASN HD22 H 1 7.792 0.000 . 2 . . . A 15 ASN HD22 . 18080 1 128 . 1 1 15 15 ASN CA C 13 51.205 0.000 . 1 . . . A 15 ASN CA . 18080 1 129 . 1 1 15 15 ASN CB C 13 36.680 0.000 . 1 . . . A 15 ASN CB . 18080 1 130 . 1 1 15 15 ASN N N 15 120.384 0.000 . 1 . . . A 15 ASN N . 18080 1 131 . 1 1 15 15 ASN ND2 N 15 112.791 0.000 . 1 . . . A 15 ASN ND2 . 18080 1 132 . 1 1 16 16 LYS H H 1 8.610 0.000 . 1 . . . A 16 LYS H . 18080 1 133 . 1 1 16 16 LYS HA H 1 4.159 0.000 . 1 . . . A 16 LYS HA . 18080 1 134 . 1 1 16 16 LYS HB3 H 1 1.943 0.000 . 2 . . . A 16 LYS HB3 . 18080 1 135 . 1 1 16 16 LYS HG3 H 1 1.628 0.000 . 2 . . . A 16 LYS HG3 . 18080 1 136 . 1 1 16 16 LYS HD3 H 1 1.811 0.000 . 1 . . . A 16 LYS HD3 . 18080 1 137 . 1 1 16 16 LYS HE3 H 1 3.074 0.000 . 1 . . . A 16 LYS HE3 . 18080 1 138 . 1 1 16 16 LYS CA C 13 56.438 0.000 . 1 . . . A 16 LYS CA . 18080 1 139 . 1 1 16 16 LYS CB C 13 30.170 0.000 . 1 . . . A 16 LYS CB . 18080 1 140 . 1 1 16 16 LYS CG C 13 22.808 0.000 . 1 . . . A 16 LYS CG . 18080 1 141 . 1 1 16 16 LYS CD C 13 26.639 0.000 . 1 . . . A 16 LYS CD . 18080 1 142 . 1 1 16 16 LYS CE C 13 39.572 0.000 . 1 . . . A 16 LYS CE . 18080 1 143 . 1 1 16 16 LYS N N 15 121.348 0.000 . 1 . . . A 16 LYS N . 18080 1 144 . 1 1 17 17 GLY H H 1 8.620 0.000 . 1 . . . A 17 GLY H . 18080 1 145 . 1 1 17 17 GLY HA2 H 1 4.018 0.000 . 2 . . . A 17 GLY HA2 . 18080 1 146 . 1 1 17 17 GLY HA3 H 1 3.828 0.000 . 2 . . . A 17 GLY HA3 . 18080 1 147 . 1 1 17 17 GLY CA C 13 44.775 0.000 . 1 . . . A 17 GLY CA . 18080 1 148 . 1 1 17 17 GLY N N 15 106.755 0.000 . 1 . . . A 17 GLY N . 18080 1 149 . 1 1 18 18 ALA H H 1 8.099 0.000 . 1 . . . A 18 ALA H . 18080 1 150 . 1 1 18 18 ALA HA H 1 4.200 0.000 . 1 . . . A 18 ALA HA . 18080 1 151 . 1 1 18 18 ALA HB1 H 1 1.579 0.000 . 1 . . . A 18 ALA HB1 . 18080 1 152 . 1 1 18 18 ALA HB2 H 1 1.579 0.000 . 1 . . . A 18 ALA HB3 . 18080 1 153 . 1 1 18 18 ALA HB3 H 1 1.579 0.000 . 1 . . . A 18 ALA HB3 . 18080 1 154 . 1 1 18 18 ALA CA C 13 52.412 0.000 . 1 . . . A 18 ALA CA . 18080 1 155 . 1 1 18 18 ALA CB C 13 16.212 0.000 . 1 . . . A 18 ALA CB . 18080 1 156 . 1 1 18 18 ALA N N 15 122.574 0.000 . 1 . . . A 18 ALA N . 18080 1 157 . 1 1 19 19 ILE H H 1 7.899 0.000 . 1 . . . A 19 ILE H . 18080 1 158 . 1 1 19 19 ILE HA H 1 3.898 0.000 . 1 . . . A 19 ILE HA . 18080 1 159 . 1 1 19 19 ILE HB H 1 2.133 0.000 . 1 . . . A 19 ILE HB . 18080 1 160 . 1 1 19 19 ILE HG13 H 1 1.839 0.000 . 2 . . . A 19 ILE HG13 . 18080 1 161 . 1 1 19 19 ILE HG21 H 1 1.069 0.000 . 1 . . . A 19 ILE HG21 . 18080 1 162 . 1 1 19 19 ILE HG22 H 1 1.069 0.000 . 1 . . . A 19 ILE HG22 . 18080 1 163 . 1 1 19 19 ILE HG23 H 1 1.069 0.000 . 1 . . . A 19 ILE HG23 . 18080 1 164 . 1 1 19 19 ILE HD11 H 1 0.990 0.000 . 1 . . . A 19 ILE HD11 . 18080 1 165 . 1 1 19 19 ILE HD12 H 1 0.990 0.000 . 1 . . . A 19 ILE HD12 . 18080 1 166 . 1 1 19 19 ILE HD13 H 1 0.990 0.000 . 1 . . . A 19 ILE HD13 . 18080 1 167 . 1 1 19 19 ILE CA C 13 61.770 0.000 . 1 . . . A 19 ILE CA . 18080 1 168 . 1 1 19 19 ILE CB C 13 35.134 0.000 . 1 . . . A 19 ILE CB . 18080 1 169 . 1 1 19 19 ILE CG1 C 13 26.553 0.000 . 1 . . . A 19 ILE CG1 . 18080 1 170 . 1 1 19 19 ILE CG2 C 13 15.343 0.000 . 1 . . . A 19 ILE CG2 . 18080 1 171 . 1 1 19 19 ILE CD1 C 13 10.376 0.000 . 1 . . . A 19 ILE CD1 . 18080 1 172 . 1 1 19 19 ILE N N 15 116.264 0.000 . 1 . . . A 19 ILE N . 18080 1 173 . 1 1 20 20 ILE H H 1 8.210 0.000 . 1 . . . A 20 ILE H . 18080 1 174 . 1 1 20 20 ILE HA H 1 3.839 0.000 . 1 . . . A 20 ILE HA . 18080 1 175 . 1 1 20 20 ILE HB H 1 2.110 0.000 . 1 . . . A 20 ILE HB . 18080 1 176 . 1 1 20 20 ILE HG13 H 1 1.898 0.000 . 1 . . . A 20 ILE HG13 . 18080 1 177 . 1 1 20 20 ILE HG21 H 1 1.014 0.000 . 1 . . . A 20 ILE HG21 . 18080 1 178 . 1 1 20 20 ILE HG22 H 1 1.014 0.000 . 1 . . . A 20 ILE HG22 . 18080 1 179 . 1 1 20 20 ILE HG23 H 1 1.014 0.000 . 1 . . . A 20 ILE HG23 . 18080 1 180 . 1 1 20 20 ILE HD11 H 1 0.979 0.000 . 1 . . . A 20 ILE HD11 . 18080 1 181 . 1 1 20 20 ILE HD12 H 1 0.979 0.000 . 1 . . . A 20 ILE HD12 . 18080 1 182 . 1 1 20 20 ILE HD13 H 1 0.979 0.000 . 1 . . . A 20 ILE HD13 . 18080 1 183 . 1 1 20 20 ILE CA C 13 62.615 0.000 . 1 . . . A 20 ILE CA . 18080 1 184 . 1 1 20 20 ILE CB C 13 34.972 0.000 . 1 . . . A 20 ILE CB . 18080 1 185 . 1 1 20 20 ILE CG1 C 13 26.816 0.000 . 1 . . . A 20 ILE CG1 . 18080 1 186 . 1 1 20 20 ILE CG2 C 13 15.151 0.000 . 1 . . . A 20 ILE CG2 . 18080 1 187 . 1 1 20 20 ILE CD1 C 13 10.600 0.000 . 1 . . . A 20 ILE CD1 . 18080 1 188 . 1 1 20 20 ILE N N 15 119.344 0.000 . 1 . . . A 20 ILE N . 18080 1 189 . 1 1 21 21 GLY H H 1 8.531 0.000 . 1 . . . A 21 GLY H . 18080 1 190 . 1 1 21 21 GLY HA2 H 1 3.749 0.000 . 1 . . . A 21 GLY HA2 . 18080 1 191 . 1 1 21 21 GLY HA3 H 1 3.749 0.000 . 1 . . . A 21 GLY HA3 . 18080 1 192 . 1 1 21 21 GLY CA C 13 45.299 0.000 . 1 . . . A 21 GLY CA . 18080 1 193 . 1 1 21 21 GLY N N 15 106.546 0.000 . 1 . . . A 21 GLY N . 18080 1 194 . 1 1 22 22 LEU H H 1 8.310 0.000 . 1 . . . A 22 LEU H . 18080 1 195 . 1 1 22 22 LEU HA H 1 4.122 0.000 . 1 . . . A 22 LEU HA . 18080 1 196 . 1 1 22 22 LEU HB3 H 1 1.712 0.000 . 2 . . . A 22 LEU HB3 . 18080 1 197 . 1 1 22 22 LEU HG H 1 1.953 0.000 . 1 . . . A 22 LEU HG . 18080 1 198 . 1 1 22 22 LEU HD11 H 1 0.986 0.000 . 1 . . . A 22 LEU HD11 . 18080 1 199 . 1 1 22 22 LEU HD12 H 1 0.986 0.000 . 1 . . . A 22 LEU HD12 . 18080 1 200 . 1 1 22 22 LEU HD13 H 1 0.986 0.000 . 1 . . . A 22 LEU HD13 . 18080 1 201 . 1 1 22 22 LEU CA C 13 55.894 0.000 . 1 . . . A 22 LEU CA . 18080 1 202 . 1 1 22 22 LEU CB C 13 39.708 0.000 . 1 . . . A 22 LEU CB . 18080 1 203 . 1 1 22 22 LEU CG C 13 24.534 0.000 . 1 . . . A 22 LEU CG . 18080 1 204 . 1 1 22 22 LEU CD1 C 13 21.959 0.000 . 1 . . . A 22 LEU CD1 . 18080 1 205 . 1 1 22 22 LEU N N 15 120.869 0.000 . 1 . . . A 22 LEU N . 18080 1 206 . 1 1 23 23 MET H H 1 8.263 0.000 . 1 . . . A 23 MET H . 18080 1 207 . 1 1 23 23 MET HA H 1 4.167 0.000 . 1 . . . A 23 MET HA . 18080 1 208 . 1 1 23 23 MET HB3 H 1 2.414 0.000 . 2 . . . A 23 MET HB3 . 18080 1 209 . 1 1 23 23 MET HG3 H 1 2.503 0.000 . 2 . . . A 23 MET HG3 . 18080 1 210 . 1 1 23 23 MET CA C 13 56.961 0.000 . 1 . . . A 23 MET CA . 18080 1 211 . 1 1 23 23 MET CB C 13 30.421 0.000 . 1 . . . A 23 MET CB . 18080 1 212 . 1 1 23 23 MET CG C 13 30.513 0.000 . 1 . . . A 23 MET CG . 18080 1 213 . 1 1 23 23 MET N N 15 117.191 0.000 . 1 . . . A 23 MET N . 18080 1 214 . 1 1 24 24 VAL H H 1 8.682 0.000 . 1 . . . A 24 VAL H . 18080 1 215 . 1 1 24 24 VAL HA H 1 3.601 0.000 . 1 . . . A 24 VAL HA . 18080 1 216 . 1 1 24 24 VAL HB H 1 2.290 0.000 . 1 . . . A 24 VAL HB . 18080 1 217 . 1 1 24 24 VAL HG11 H 1 0.962 0.000 . 1 . . . A 24 VAL HG11 . 18080 1 218 . 1 1 24 24 VAL HG12 H 1 0.962 0.000 . 1 . . . A 24 VAL HG13 . 18080 1 219 . 1 1 24 24 VAL HG13 H 1 0.962 0.000 . 1 . . . A 24 VAL HG13 . 18080 1 220 . 1 1 24 24 VAL HG21 H 1 1.142 0.000 . 1 . . . A 24 VAL HG21 . 18080 1 221 . 1 1 24 24 VAL HG22 H 1 1.142 0.000 . 1 . . . A 24 VAL HG22 . 18080 1 222 . 1 1 24 24 VAL HG23 H 1 1.142 0.000 . 1 . . . A 24 VAL HG23 . 18080 1 223 . 1 1 24 24 VAL CA C 13 64.681 0.000 . 1 . . . A 24 VAL CA . 18080 1 224 . 1 1 24 24 VAL CB C 13 28.867 0.000 . 1 . . . A 24 VAL CB . 18080 1 225 . 1 1 24 24 VAL CG1 C 13 18.855 0.000 . 1 . . . A 24 VAL CG1 . 18080 1 226 . 1 1 24 24 VAL CG2 C 13 20.841 0.000 . 1 . . . A 24 VAL CG2 . 18080 1 227 . 1 1 24 24 VAL N N 15 117.660 0.000 . 1 . . . A 24 VAL N . 18080 1 228 . 1 1 25 25 GLY H H 1 8.774 0.000 . 1 . . . A 25 GLY H . 18080 1 229 . 1 1 25 25 GLY HA2 H 1 3.669 0.000 . 1 . . . A 25 GLY HA2 . 18080 1 230 . 1 1 25 25 GLY HA3 H 1 3.669 0.000 . 1 . . . A 25 GLY HA3 . 18080 1 231 . 1 1 25 25 GLY CA C 13 45.063 0.000 . 1 . . . A 25 GLY CA . 18080 1 232 . 1 1 25 25 GLY N N 15 106.038 0.000 . 1 . . . A 25 GLY N . 18080 1 233 . 1 1 26 26 GLY H H 1 8.806 0.000 . 1 . . . A 26 GLY H . 18080 1 234 . 1 1 26 26 GLY HA2 H 1 3.711 0.000 . 1 . . . A 26 GLY HA2 . 18080 1 235 . 1 1 26 26 GLY HA3 H 1 3.711 0.000 . 1 . . . A 26 GLY HA3 . 18080 1 236 . 1 1 26 26 GLY CA C 13 44.968 0.000 . 1 . . . A 26 GLY CA . 18080 1 237 . 1 1 26 26 GLY N N 15 108.191 0.000 . 1 . . . A 26 GLY N . 18080 1 238 . 1 1 27 27 VAL H H 1 8.280 0.000 . 1 . . . A 27 VAL H . 18080 1 239 . 1 1 27 27 VAL HA H 1 3.697 0.000 . 1 . . . A 27 VAL HA . 18080 1 240 . 1 1 27 27 VAL HB H 1 2.377 0.000 . 1 . . . A 27 VAL HB . 18080 1 241 . 1 1 27 27 VAL HG11 H 1 1.138 0.000 . 1 . . . A 27 VAL HG11 . 18080 1 242 . 1 1 27 27 VAL HG12 H 1 1.138 0.000 . 1 . . . A 27 VAL HG13 . 18080 1 243 . 1 1 27 27 VAL HG13 H 1 1.138 0.000 . 1 . . . A 27 VAL HG13 . 18080 1 244 . 1 1 27 27 VAL HG21 H 1 0.977 0.000 . 1 . . . A 27 VAL HG21 . 18080 1 245 . 1 1 27 27 VAL HG22 H 1 0.977 0.000 . 1 . . . A 27 VAL HG22 . 18080 1 246 . 1 1 27 27 VAL HG23 H 1 0.977 0.000 . 1 . . . A 27 VAL HG23 . 18080 1 247 . 1 1 27 27 VAL CA C 13 64.557 0.000 . 1 . . . A 27 VAL CA . 18080 1 248 . 1 1 27 27 VAL CB C 13 28.836 0.000 . 1 . . . A 27 VAL CB . 18080 1 249 . 1 1 27 27 VAL CG1 C 13 20.692 0.000 . 1 . . . A 27 VAL CG1 . 18080 1 250 . 1 1 27 27 VAL CG2 C 13 18.824 0.000 . 1 . . . A 27 VAL CG2 . 18080 1 251 . 1 1 27 27 VAL N N 15 120.729 0.000 . 1 . . . A 27 VAL N . 18080 1 252 . 1 1 28 28 VAL H H 1 8.577 0.000 . 1 . . . A 28 VAL H . 18080 1 253 . 1 1 28 28 VAL HA H 1 3.563 0.000 . 1 . . . A 28 VAL HA . 18080 1 254 . 1 1 28 28 VAL HB H 1 2.386 0.000 . 1 . . . A 28 VAL HB . 18080 1 255 . 1 1 28 28 VAL HG11 H 1 1.103 0.000 . 1 . . . A 28 VAL HG11 . 18080 1 256 . 1 1 28 28 VAL HG12 H 1 1.103 0.000 . 1 . . . A 28 VAL HG13 . 18080 1 257 . 1 1 28 28 VAL HG13 H 1 1.103 0.000 . 1 . . . A 28 VAL HG13 . 18080 1 258 . 1 1 28 28 VAL HG21 H 1 0.925 0.000 . 1 . . . A 28 VAL HG21 . 18080 1 259 . 1 1 28 28 VAL HG22 H 1 0.925 0.000 . 1 . . . A 28 VAL HG22 . 18080 1 260 . 1 1 28 28 VAL HG23 H 1 0.925 0.000 . 1 . . . A 28 VAL HG23 . 18080 1 261 . 1 1 28 28 VAL CA C 13 65.280 0.000 . 1 . . . A 28 VAL CA . 18080 1 262 . 1 1 28 28 VAL CB C 13 28.839 0.000 . 1 . . . A 28 VAL CB . 18080 1 263 . 1 1 28 28 VAL CG1 C 13 20.598 0.000 . 1 . . . A 28 VAL CG1 . 18080 1 264 . 1 1 28 28 VAL CG2 C 13 18.842 0.000 . 1 . . . A 28 VAL CG2 . 18080 1 265 . 1 1 28 28 VAL N N 15 122.275 0.000 . 1 . . . A 28 VAL N . 18080 1 266 . 1 1 29 29 ILE H H 1 8.527 0.000 . 1 . . . A 29 ILE H . 18080 1 267 . 1 1 29 29 ILE HA H 1 3.661 0.000 . 1 . . . A 29 ILE HA . 18080 1 268 . 1 1 29 29 ILE HB H 1 2.044 0.000 . 1 . . . A 29 ILE HB . 18080 1 269 . 1 1 29 29 ILE HG13 H 1 1.841 0.000 . 2 . . . A 29 ILE HG13 . 18080 1 270 . 1 1 29 29 ILE HG21 H 1 0.943 0.000 . 1 . . . A 29 ILE HG21 . 18080 1 271 . 1 1 29 29 ILE HG22 H 1 0.943 0.000 . 1 . . . A 29 ILE HG22 . 18080 1 272 . 1 1 29 29 ILE HG23 H 1 0.943 0.000 . 1 . . . A 29 ILE HG23 . 18080 1 273 . 1 1 29 29 ILE HD11 H 1 0.838 0.000 . 1 . . . A 29 ILE HD11 . 18080 1 274 . 1 1 29 29 ILE HD12 H 1 0.838 0.000 . 1 . . . A 29 ILE HD12 . 18080 1 275 . 1 1 29 29 ILE HD13 H 1 0.838 0.000 . 1 . . . A 29 ILE HD13 . 18080 1 276 . 1 1 29 29 ILE CA C 13 63.131 0.000 . 1 . . . A 29 ILE CA . 18080 1 277 . 1 1 29 29 ILE CB C 13 34.769 0.000 . 1 . . . A 29 ILE CB . 18080 1 278 . 1 1 29 29 ILE CG1 C 13 27.009 0.000 . 1 . . . A 29 ILE CG1 . 18080 1 279 . 1 1 29 29 ILE CG2 C 13 14.864 0.000 . 1 . . . A 29 ILE CG2 . 18080 1 280 . 1 1 29 29 ILE CD1 C 13 10.039 0.000 . 1 . . . A 29 ILE CD1 . 18080 1 281 . 1 1 29 29 ILE N N 15 118.627 0.000 . 1 . . . A 29 ILE N . 18080 1 282 . 1 1 30 30 ALA H H 1 8.645 0.000 . 1 . . . A 30 ALA H . 18080 1 283 . 1 1 30 30 ALA HA H 1 3.973 0.000 . 1 . . . A 30 ALA HA . 18080 1 284 . 1 1 30 30 ALA HB1 H 1 1.507 0.000 . 1 . . . A 30 ALA HB1 . 18080 1 285 . 1 1 30 30 ALA HB2 H 1 1.507 0.000 . 1 . . . A 30 ALA HB3 . 18080 1 286 . 1 1 30 30 ALA HB3 H 1 1.507 0.000 . 1 . . . A 30 ALA HB3 . 18080 1 287 . 1 1 30 30 ALA CA C 13 53.382 0.000 . 1 . . . A 30 ALA CA . 18080 1 288 . 1 1 30 30 ALA CB C 13 15.554 0.000 . 1 . . . A 30 ALA CB . 18080 1 289 . 1 1 30 30 ALA N N 15 120.541 0.000 . 1 . . . A 30 ALA N . 18080 1 290 . 1 1 31 31 THR H H 1 8.238 0.000 . 1 . . . A 31 THR H . 18080 1 291 . 1 1 31 31 THR HA H 1 3.775 0.000 . 1 . . . A 31 THR HA . 18080 1 292 . 1 1 31 31 THR HB H 1 4.399 0.000 . 1 . . . A 31 THR HB . 18080 1 293 . 1 1 31 31 THR HG21 H 1 1.212 0.000 . 1 . . . A 31 THR HG21 . 18080 1 294 . 1 1 31 31 THR HG22 H 1 1.212 0.000 . 1 . . . A 31 THR HG22 . 18080 1 295 . 1 1 31 31 THR HG23 H 1 1.212 0.000 . 1 . . . A 31 THR HG23 . 18080 1 296 . 1 1 31 31 THR CA C 13 66.027 0.000 . 1 . . . A 31 THR CA . 18080 1 297 . 1 1 31 31 THR CB C 13 65.255 0.000 . 1 . . . A 31 THR CB . 18080 1 298 . 1 1 31 31 THR CG2 C 13 19.020 0.000 . 1 . . . A 31 THR CG2 . 18080 1 299 . 1 1 31 31 THR N N 15 113.932 0.000 . 1 . . . A 31 THR N . 18080 1 300 . 1 1 32 32 VAL H H 1 8.324 0.000 . 1 . . . A 32 VAL H . 18080 1 301 . 1 1 32 32 VAL HA H 1 3.609 0.000 . 1 . . . A 32 VAL HA . 18080 1 302 . 1 1 32 32 VAL HB H 1 2.370 0.000 . 1 . . . A 32 VAL HB . 18080 1 303 . 1 1 32 32 VAL HG11 H 1 1.121 0.000 . 2 . . . A 32 VAL HG11 . 18080 1 304 . 1 1 32 32 VAL HG12 H 1 1.121 0.000 . 2 . . . A 32 VAL HG13 . 18080 1 305 . 1 1 32 32 VAL HG13 H 1 1.121 0.000 . 2 . . . A 32 VAL HG13 . 18080 1 306 . 1 1 32 32 VAL HG21 H 1 0.980 0.000 . 2 . . . A 32 VAL HG21 . 18080 1 307 . 1 1 32 32 VAL HG22 H 1 0.980 0.000 . 2 . . . A 32 VAL HG22 . 18080 1 308 . 1 1 32 32 VAL HG23 H 1 0.980 0.000 . 2 . . . A 32 VAL HG23 . 18080 1 309 . 1 1 32 32 VAL CA C 13 64.669 0.000 . 1 . . . A 32 VAL CA . 18080 1 310 . 1 1 32 32 VAL CB C 13 28.895 0.000 . 1 . . . A 32 VAL CB . 18080 1 311 . 1 1 32 32 VAL CG1 C 13 20.428 0.000 . 1 . . . A 32 VAL CG1 . 18080 1 312 . 1 1 32 32 VAL CG2 C 13 18.950 0.000 . 1 . . . A 32 VAL CG2 . 18080 1 313 . 1 1 32 32 VAL N N 15 120.206 0.000 . 1 . . . A 32 VAL N . 18080 1 314 . 1 1 33 33 ILE H H 1 8.520 0.000 . 1 . . . A 33 ILE H . 18080 1 315 . 1 1 33 33 ILE HA H 1 3.657 0.000 . 1 . . . A 33 ILE HA . 18080 1 316 . 1 1 33 33 ILE HB H 1 2.188 0.000 . 1 . . . A 33 ILE HB . 18080 1 317 . 1 1 33 33 ILE HG12 H 1 2.021 0.000 . 2 . . . A 33 ILE HG13 . 18080 1 318 . 1 1 33 33 ILE HG13 H 1 2.021 0.000 . 2 . . . A 33 ILE HG13 . 18080 1 319 . 1 1 33 33 ILE HG21 H 1 0.954 0.000 . 1 . . . A 33 ILE HG21 . 18080 1 320 . 1 1 33 33 ILE HG22 H 1 0.954 0.000 . 1 . . . A 33 ILE HG22 . 18080 1 321 . 1 1 33 33 ILE HG23 H 1 0.954 0.000 . 1 . . . A 33 ILE HG23 . 18080 1 322 . 1 1 33 33 ILE HD11 H 1 0.868 0.000 . 1 . . . A 33 ILE HD11 . 18080 1 323 . 1 1 33 33 ILE HD12 H 1 0.868 0.000 . 1 . . . A 33 ILE HD12 . 18080 1 324 . 1 1 33 33 ILE HD13 H 1 0.868 0.000 . 1 . . . A 33 ILE HD13 . 18080 1 325 . 1 1 33 33 ILE CA C 13 63.841 0.000 . 1 . . . A 33 ILE CA . 18080 1 326 . 1 1 33 33 ILE CB C 13 34.915 0.000 . 1 . . . A 33 ILE CB . 18080 1 327 . 1 1 33 33 ILE CG2 C 13 14.741 0.000 . 1 . . . A 33 ILE CG2 . 18080 1 328 . 1 1 33 33 ILE CD1 C 13 10.957 0.000 . 1 . . . A 33 ILE CD1 . 18080 1 329 . 1 1 33 33 ILE N N 15 121.976 0.000 . 1 . . . A 33 ILE N . 18080 1 330 . 1 1 34 34 VAL H H 1 8.539 0.000 . 1 . . . A 34 VAL H . 18080 1 331 . 1 1 34 34 VAL HA H 1 3.638 0.000 . 1 . . . A 34 VAL HA . 18080 1 332 . 1 1 34 34 VAL HB H 1 2.377 0.000 . 1 . . . A 34 VAL HB . 18080 1 333 . 1 1 34 34 VAL HG11 H 1 1.190 0.000 . 2 . . . A 34 VAL HG11 . 18080 1 334 . 1 1 34 34 VAL HG12 H 1 1.190 0.000 . 2 . . . A 34 VAL HG13 . 18080 1 335 . 1 1 34 34 VAL HG13 H 1 1.190 0.000 . 2 . . . A 34 VAL HG13 . 18080 1 336 . 1 1 34 34 VAL HG21 H 1 1.040 0.000 . 2 . . . A 34 VAL HG21 . 18080 1 337 . 1 1 34 34 VAL HG22 H 1 1.040 0.000 . 2 . . . A 34 VAL HG22 . 18080 1 338 . 1 1 34 34 VAL HG23 H 1 1.040 0.000 . 2 . . . A 34 VAL HG23 . 18080 1 339 . 1 1 34 34 VAL CA C 13 65.678 0.000 . 1 . . . A 34 VAL CA . 18080 1 340 . 1 1 34 34 VAL CB C 13 28.816 0.000 . 1 . . . A 34 VAL CB . 18080 1 341 . 1 1 34 34 VAL CG1 C 13 20.968 0.000 . 1 . . . A 34 VAL CG1 . 18080 1 342 . 1 1 34 34 VAL CG2 C 13 19.291 0.000 . 1 . . . A 34 VAL CG2 . 18080 1 343 . 1 1 34 34 VAL N N 15 119.099 0.000 . 1 . . . A 34 VAL N . 18080 1 344 . 1 1 35 35 ILE H H 1 8.690 0.000 . 1 . . . A 35 ILE H . 18080 1 345 . 1 1 35 35 ILE HA H 1 3.666 0.000 . 1 . . . A 35 ILE HA . 18080 1 346 . 1 1 35 35 ILE HB H 1 2.044 0.000 . 1 . . . A 35 ILE HB . 18080 1 347 . 1 1 35 35 ILE HG13 H 1 2.004 0.000 . 2 . . . A 35 ILE HG13 . 18080 1 348 . 1 1 35 35 ILE HG21 H 1 1.019 0.000 . 1 . . . A 35 ILE HG21 . 18080 1 349 . 1 1 35 35 ILE HG22 H 1 1.019 0.000 . 1 . . . A 35 ILE HG22 . 18080 1 350 . 1 1 35 35 ILE HG23 H 1 1.019 0.000 . 1 . . . A 35 ILE HG23 . 18080 1 351 . 1 1 35 35 ILE HD11 H 1 0.884 0.000 . 1 . . . A 35 ILE HD11 . 18080 1 352 . 1 1 35 35 ILE HD12 H 1 0.884 0.000 . 1 . . . A 35 ILE HD12 . 18080 1 353 . 1 1 35 35 ILE HD13 H 1 0.884 0.000 . 1 . . . A 35 ILE HD13 . 18080 1 354 . 1 1 35 35 ILE CA C 13 63.336 0.000 . 1 . . . A 35 ILE CA . 18080 1 355 . 1 1 35 35 ILE CB C 13 35.060 0.000 . 1 . . . A 35 ILE CB . 18080 1 356 . 1 1 35 35 ILE CG1 C 13 26.963 0.000 . 1 . . . A 35 ILE CG1 . 18080 1 357 . 1 1 35 35 ILE CG2 C 13 15.215 0.000 . 1 . . . A 35 ILE CG2 . 18080 1 358 . 1 1 35 35 ILE CD1 C 13 11.150 0.000 . 1 . . . A 35 ILE CD1 . 18080 1 359 . 1 1 35 35 ILE N N 15 117.727 0.000 . 1 . . . A 35 ILE N . 18080 1 360 . 1 1 36 36 THR H H 1 8.267 0.000 . 1 . . . A 36 THR H . 18080 1 361 . 1 1 36 36 THR HA H 1 3.776 0.000 . 1 . . . A 36 THR HA . 18080 1 362 . 1 1 36 36 THR HB H 1 4.410 0.000 . 1 . . . A 36 THR HB . 18080 1 363 . 1 1 36 36 THR HG21 H 1 1.211 0.000 . 1 . . . A 36 THR HG21 . 18080 1 364 . 1 1 36 36 THR HG22 H 1 1.211 0.000 . 1 . . . A 36 THR HG22 . 18080 1 365 . 1 1 36 36 THR HG23 H 1 1.211 0.000 . 1 . . . A 36 THR HG23 . 18080 1 366 . 1 1 36 36 THR CA C 13 66.196 0.000 . 1 . . . A 36 THR CA . 18080 1 367 . 1 1 36 36 THR CB C 13 65.191 0.000 . 1 . . . A 36 THR CB . 18080 1 368 . 1 1 36 36 THR CG2 C 13 18.879 0.000 . 1 . . . A 36 THR CG2 . 18080 1 369 . 1 1 36 36 THR N N 15 116.743 0.000 . 1 . . . A 36 THR N . 18080 1 370 . 1 1 37 37 LEU H H 1 8.439 0.000 . 1 . . . A 37 LEU H . 18080 1 371 . 1 1 37 37 LEU HA H 1 4.122 0.000 . 1 . . . A 37 LEU HA . 18080 1 372 . 1 1 37 37 LEU HB3 H 1 2.133 0.000 . 1 . . . A 37 LEU HB3 . 18080 1 373 . 1 1 37 37 LEU HG H 1 2.067 0.000 . 1 . . . A 37 LEU HG . 18080 1 374 . 1 1 37 37 LEU HD11 H 1 0.977 0.000 . 2 . . . A 37 LEU HD11 . 18080 1 375 . 1 1 37 37 LEU HD12 H 1 0.977 0.000 . 2 . . . A 37 LEU HD12 . 18080 1 376 . 1 1 37 37 LEU HD13 H 1 0.977 0.000 . 2 . . . A 37 LEU HD13 . 18080 1 377 . 1 1 37 37 LEU HD21 H 1 0.995 0.000 . 2 . . . A 37 LEU HD21 . 18080 1 378 . 1 1 37 37 LEU HD22 H 1 0.995 0.000 . 2 . . . A 37 LEU HD22 . 18080 1 379 . 1 1 37 37 LEU HD23 H 1 0.995 0.000 . 2 . . . A 37 LEU HD23 . 18080 1 380 . 1 1 37 37 LEU CA C 13 56.069 0.000 . 1 . . . A 37 LEU CA . 18080 1 381 . 1 1 37 37 LEU CB C 13 39.675 0.000 . 1 . . . A 37 LEU CB . 18080 1 382 . 1 1 37 37 LEU CG C 13 24.548 0.000 . 1 . . . A 37 LEU CG . 18080 1 383 . 1 1 37 37 LEU CD1 C 13 20.921 0.000 . 1 . . . A 37 LEU CD1 . 18080 1 384 . 1 1 37 37 LEU CD2 C 13 23.571 0.000 . 1 . . . A 37 LEU CD2 . 18080 1 385 . 1 1 37 37 LEU N N 15 120.103 0.000 . 1 . . . A 37 LEU N . 18080 1 386 . 1 1 38 38 VAL H H 1 8.470 0.000 . 1 . . . A 38 VAL H . 18080 1 387 . 1 1 38 38 VAL HA H 1 3.722 0.000 . 1 . . . A 38 VAL HA . 18080 1 388 . 1 1 38 38 VAL HB H 1 2.408 0.000 . 1 . . . A 38 VAL HB . 18080 1 389 . 1 1 38 38 VAL HG11 H 1 1.186 0.000 . 1 . . . A 38 VAL HG11 . 18080 1 390 . 1 1 38 38 VAL HG12 H 1 1.186 0.000 . 1 . . . A 38 VAL HG13 . 18080 1 391 . 1 1 38 38 VAL HG13 H 1 1.186 0.000 . 1 . . . A 38 VAL HG13 . 18080 1 392 . 1 1 38 38 VAL HG21 H 1 1.043 0.000 . 1 . . . A 38 VAL HG21 . 18080 1 393 . 1 1 38 38 VAL HG22 H 1 1.043 0.000 . 1 . . . A 38 VAL HG22 . 18080 1 394 . 1 1 38 38 VAL HG23 H 1 1.043 0.000 . 1 . . . A 38 VAL HG23 . 18080 1 395 . 1 1 38 38 VAL CA C 13 64.267 0.000 . 1 . . . A 38 VAL CA . 18080 1 396 . 1 1 38 38 VAL CB C 13 28.942 0.000 . 1 . . . A 38 VAL CB . 18080 1 397 . 1 1 38 38 VAL CG1 C 13 20.886 0.000 . 1 . . . A 38 VAL CG1 . 18080 1 398 . 1 1 38 38 VAL CG2 C 13 19.298 0.000 . 1 . . . A 38 VAL CG2 . 18080 1 399 . 1 1 38 38 VAL N N 15 117.700 0.000 . 1 . . . A 38 VAL N . 18080 1 400 . 1 1 39 39 MET H H 1 8.513 0.000 . 1 . . . A 39 MET H . 18080 1 401 . 1 1 39 39 MET HA H 1 4.351 0.000 . 1 . . . A 39 MET HA . 18080 1 402 . 1 1 39 39 MET HB3 H 1 2.410 0.000 . 2 . . . A 39 MET HB3 . 18080 1 403 . 1 1 39 39 MET HG3 H 1 2.794 0.000 . 1 . . . A 39 MET HG3 . 18080 1 404 . 1 1 39 39 MET CA C 13 55.609 0.000 . 1 . . . A 39 MET CA . 18080 1 405 . 1 1 39 39 MET CB C 13 29.560 0.000 . 1 . . . A 39 MET CB . 18080 1 406 . 1 1 39 39 MET CG C 13 30.560 0.000 . 1 . . . A 39 MET CG . 18080 1 407 . 1 1 39 39 MET N N 15 117.431 0.000 . 1 . . . A 39 MET N . 18080 1 408 . 1 1 40 40 LEU H H 1 8.399 0.000 . 1 . . . A 40 LEU H . 18080 1 409 . 1 1 40 40 LEU HA H 1 4.329 0.000 . 1 . . . A 40 LEU HA . 18080 1 410 . 1 1 40 40 LEU HB3 H 1 2.042 0.000 . 2 . . . A 40 LEU HB3 . 18080 1 411 . 1 1 40 40 LEU HG H 1 2.065 0.000 . 1 . . . A 40 LEU HG . 18080 1 412 . 1 1 40 40 LEU HD11 H 1 1.006 0.000 . 1 . . . A 40 LEU HD11 . 18080 1 413 . 1 1 40 40 LEU HD12 H 1 1.006 0.000 . 1 . . . A 40 LEU HD12 . 18080 1 414 . 1 1 40 40 LEU HD13 H 1 1.006 0.000 . 1 . . . A 40 LEU HD13 . 18080 1 415 . 1 1 40 40 LEU CA C 13 54.309 0.000 . 1 . . . A 40 LEU CA . 18080 1 416 . 1 1 40 40 LEU CB C 13 39.694 0.000 . 1 . . . A 40 LEU CB . 18080 1 417 . 1 1 40 40 LEU CG C 13 24.533 0.000 . 1 . . . A 40 LEU CG . 18080 1 418 . 1 1 40 40 LEU CD1 C 13 20.939 0.000 . 1 . . . A 40 LEU CD1 . 18080 1 419 . 1 1 40 40 LEU N N 15 117.760 0.000 . 1 . . . A 40 LEU N . 18080 1 420 . 1 1 41 41 LYS H H 1 7.928 0.000 . 1 . . . A 41 LYS H . 18080 1 421 . 1 1 41 41 LYS HA H 1 4.343 0.000 . 1 . . . A 41 LYS HA . 18080 1 422 . 1 1 41 41 LYS HB3 H 1 2.069 0.000 . 1 . . . A 41 LYS HB3 . 18080 1 423 . 1 1 41 41 LYS HG3 H 1 1.627 0.000 . 1 . . . A 41 LYS HG3 . 18080 1 424 . 1 1 41 41 LYS HD3 H 1 1.811 0.000 . 1 . . . A 41 LYS HD3 . 18080 1 425 . 1 1 41 41 LYS HE3 H 1 3.107 0.000 . 1 . . . A 41 LYS HE3 . 18080 1 426 . 1 1 41 41 LYS CA C 13 54.375 0.000 . 1 . . . A 41 LYS CA . 18080 1 427 . 1 1 41 41 LYS CB C 13 30.149 0.000 . 1 . . . A 41 LYS CB . 18080 1 428 . 1 1 41 41 LYS CG C 13 22.619 0.000 . 1 . . . A 41 LYS CG . 18080 1 429 . 1 1 41 41 LYS CD C 13 26.740 0.000 . 1 . . . A 41 LYS CD . 18080 1 430 . 1 1 41 41 LYS CE C 13 39.561 0.000 . 1 . . . A 41 LYS CE . 18080 1 431 . 1 1 41 41 LYS N N 15 117.042 0.000 . 1 . . . A 41 LYS N . 18080 1 432 . 1 1 42 42 LYS H H 1 8.056 0.000 . 1 . . . A 42 LYS H . 18080 1 433 . 1 1 42 42 LYS HA H 1 4.411 0.000 . 1 . . . A 42 LYS HA . 18080 1 434 . 1 1 42 42 LYS HB3 H 1 1.962 0.000 . 2 . . . A 42 LYS HB3 . 18080 1 435 . 1 1 42 42 LYS HG3 H 1 1.613 0.000 . 1 . . . A 42 LYS HG3 . 18080 1 436 . 1 1 42 42 LYS HD3 H 1 1.805 0.000 . 1 . . . A 42 LYS HD3 . 18080 1 437 . 1 1 42 42 LYS HE3 H 1 3.086 0.000 . 1 . . . A 42 LYS HE3 . 18080 1 438 . 1 1 42 42 LYS CA C 13 53.997 0.000 . 1 . . . A 42 LYS CA . 18080 1 439 . 1 1 42 42 LYS CB C 13 30.417 0.000 . 1 . . . A 42 LYS CB . 18080 1 440 . 1 1 42 42 LYS CG C 13 22.466 0.000 . 1 . . . A 42 LYS CG . 18080 1 441 . 1 1 42 42 LYS CD C 13 26.448 0.000 . 1 . . . A 42 LYS CD . 18080 1 442 . 1 1 42 42 LYS CE C 13 39.437 0.000 . 1 . . . A 42 LYS CE . 18080 1 443 . 1 1 42 42 LYS N N 15 119.285 0.000 . 1 . . . A 42 LYS N . 18080 1 444 . 1 1 43 43 LYS H H 1 8.017 0.000 . 1 . . . A 43 LYS H . 18080 1 445 . 1 1 43 43 LYS HA H 1 4.400 0.000 . 1 . . . A 43 LYS HA . 18080 1 446 . 1 1 43 43 LYS HB3 H 1 2.045 0.000 . 2 . . . A 43 LYS HB3 . 18080 1 447 . 1 1 43 43 LYS HG3 H 1 1.615 0.000 . 1 . . . A 43 LYS HG3 . 18080 1 448 . 1 1 43 43 LYS HD3 H 1 1.805 0.000 . 1 . . . A 43 LYS HD3 . 18080 1 449 . 1 1 43 43 LYS HE3 H 1 3.097 0.000 . 1 . . . A 43 LYS HE3 . 18080 1 450 . 1 1 43 43 LYS CA C 13 53.859 0.000 . 1 . . . A 43 LYS CA . 18080 1 451 . 1 1 43 43 LYS CB C 13 30.407 0.000 . 1 . . . A 43 LYS CB . 18080 1 452 . 1 1 43 43 LYS CG C 13 22.322 0.000 . 1 . . . A 43 LYS CG . 18080 1 453 . 1 1 43 43 LYS CD C 13 26.516 0.000 . 1 . . . A 43 LYS CD . 18080 1 454 . 1 1 43 43 LYS CE C 13 39.505 0.000 . 1 . . . A 43 LYS CE . 18080 1 455 . 1 1 43 43 LYS N N 15 122.664 0.000 . 1 . . . A 43 LYS N . 18080 1 stop_ save_