################################### # 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 18706 _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 3 '3D HNCA' . . . 18706 1 4 '3D HN(CA)CB' . . . 18706 1 5 '3D 1H-15N NOESY' . . . 18706 1 10 '3D CCH_TOCSY' . . . 18706 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 2 2 ASN H H 1 8.313 0.000 . 1 . . . A 20 ASN H . 18706 1 2 . 1 1 2 2 ASN HA H 1 4.861 0.000 . 1 . . . A 20 ASN HA . 18706 1 3 . 1 1 2 2 ASN HB2 H 1 2.887 0.000 . 2 . . . A 20 ASN HB2 . 18706 1 4 . 1 1 2 2 ASN HB3 H 1 2.791 0.000 . 2 . . . A 20 ASN HB3 . 18706 1 5 . 1 1 2 2 ASN HD21 H 1 6.877 0.000 . 2 . . . A 20 ASN HD21 . 18706 1 6 . 1 1 2 2 ASN HD22 H 1 7.619 0.000 . 2 . . . A 20 ASN HD22 . 18706 1 7 . 1 1 2 2 ASN CA C 13 53.430 0.000 . 1 . . . A 20 ASN CA . 18706 1 8 . 1 1 2 2 ASN CB C 13 38.831 0.000 . 1 . . . A 20 ASN CB . 18706 1 9 . 1 1 2 2 ASN N N 15 120.297 0.000 . 1 . . . A 20 ASN N . 18706 1 10 . 1 1 3 3 ASP H H 1 8.280 0.000 . 1 . . . A 21 ASP H . 18706 1 11 . 1 1 3 3 ASP HA H 1 4.756 0.000 . 1 . . . A 21 ASP HA . 18706 1 12 . 1 1 3 3 ASP HB2 H 1 2.741 0.000 . 1 . . . A 21 ASP HB2 . 18706 1 13 . 1 1 3 3 ASP HB3 H 1 2.740 0.000 . 1 . . . A 21 ASP HB3 . 18706 1 14 . 1 1 3 3 ASP CA C 13 54.305 0.000 . 1 . . . A 21 ASP CA . 18706 1 15 . 1 1 3 3 ASP CB C 13 41.911 0.000 . 1 . . . A 21 ASP CB . 18706 1 16 . 1 1 3 3 ASP N N 15 120.233 0.000 . 1 . . . A 21 ASP N . 18706 1 17 . 1 1 4 4 SER H H 1 8.347 0.000 . 1 . . . A 22 SER H . 18706 1 18 . 1 1 4 4 SER HA H 1 4.410 0.000 . 1 . . . A 22 SER HA . 18706 1 19 . 1 1 4 4 SER HB2 H 1 3.792 0.000 . 2 . . . A 22 SER HB2 . 18706 1 20 . 1 1 4 4 SER HB3 H 1 3.897 0.000 . 2 . . . A 22 SER HB3 . 18706 1 21 . 1 1 4 4 SER CA C 13 58.393 0.000 . 1 . . . A 22 SER CA . 18706 1 22 . 1 1 4 4 SER CB C 13 63.850 0.000 . 1 . . . A 22 SER CB . 18706 1 23 . 1 1 4 4 SER N N 15 115.690 0.000 . 1 . . . A 22 SER N . 18706 1 24 . 1 1 5 5 SER H H 1 8.235 0.000 . 1 . . . A 23 SER H . 18706 1 25 . 1 1 5 5 SER HA H 1 4.330 0.000 . 1 . . . A 23 SER HA . 18706 1 26 . 1 1 5 5 SER HB2 H 1 3.784 0.000 . 2 . . . A 23 SER HB2 . 18706 1 27 . 1 1 5 5 SER HB3 H 1 3.780 0.000 . 2 . . . A 23 SER HB3 . 18706 1 28 . 1 1 5 5 SER CA C 13 58.355 0.000 . 1 . . . A 23 SER CA . 18706 1 29 . 1 1 5 5 SER CB C 13 63.851 0.000 . 1 . . . A 23 SER CB . 18706 1 30 . 1 1 5 5 SER N N 15 115.951 0.000 . 1 . . . A 23 SER N . 18706 1 31 . 1 1 6 6 ASP H H 1 7.963 0.000 . 1 . . . A 24 ASP H . 18706 1 32 . 1 1 6 6 ASP HA H 1 4.827 0.009 . 1 . . . A 24 ASP HA . 18706 1 33 . 1 1 6 6 ASP HB2 H 1 2.700 0.000 . 2 . . . A 24 ASP HB2 . 18706 1 34 . 1 1 6 6 ASP HB3 H 1 2.710 0.000 . 2 . . . A 24 ASP HB3 . 18706 1 35 . 1 1 6 6 ASP CA C 13 52.224 0.000 . 1 . . . A 24 ASP CA . 18706 1 36 . 1 1 6 6 ASP CB C 13 43.514 0.000 . 1 . . . A 24 ASP CB . 18706 1 37 . 1 1 6 6 ASP N N 15 124.731 0.000 . 1 . . . A 24 ASP N . 18706 1 38 . 1 1 7 7 PRO HA H 1 4.129 0.002 . 1 . . . A 25 PRO HA . 18706 1 39 . 1 1 7 7 PRO HB2 H 1 1.810 0.000 . 2 . . . A 25 PRO HB2 . 18706 1 40 . 1 1 7 7 PRO HB3 H 1 2.227 0.000 . 2 . . . A 25 PRO HB3 . 18706 1 41 . 1 1 7 7 PRO HG2 H 1 2.036 0.000 . 1 . . . A 25 PRO HG2 . 18706 1 42 . 1 1 7 7 PRO HG3 H 1 2.036 0.000 . 1 . . . A 25 PRO HG3 . 18706 1 43 . 1 1 7 7 PRO HD2 H 1 3.920 0.000 . 1 . . . A 25 PRO HD2 . 18706 1 44 . 1 1 7 7 PRO HD3 H 1 3.919 0.000 . 1 . . . A 25 PRO HD3 . 18706 1 45 . 1 1 7 7 PRO CA C 13 65.502 0.000 . 1 . . . A 25 PRO CA . 18706 1 46 . 1 1 7 7 PRO CB C 13 32.478 0.000 . 1 . . . A 25 PRO CB . 18706 1 47 . 1 1 7 7 PRO CG C 13 27.398 0.000 . 1 . . . A 25 PRO CG . 18706 1 48 . 1 1 7 7 PRO CD C 13 50.733 0.000 . 1 . . . A 25 PRO CD . 18706 1 49 . 1 1 8 8 LEU H H 1 8.240 0.004 . 1 . . . A 26 LEU H . 18706 1 50 . 1 1 8 8 LEU HA H 1 4.054 0.000 . 1 . . . A 26 LEU HA . 18706 1 51 . 1 1 8 8 LEU HB2 H 1 1.853 0.000 . 2 . . . A 26 LEU HB2 . 18706 1 52 . 1 1 8 8 LEU HB3 H 1 1.555 0.000 . 2 . . . A 26 LEU HB3 . 18706 1 53 . 1 1 8 8 LEU HD11 H 1 0.837 0.000 . 2 . . . A 26 LEU HD11 . 18706 1 54 . 1 1 8 8 LEU HD12 H 1 0.837 0.000 . 2 . . . A 26 LEU HD12 . 18706 1 55 . 1 1 8 8 LEU HD13 H 1 0.837 0.000 . 2 . . . A 26 LEU HD13 . 18706 1 56 . 1 1 8 8 LEU HD21 H 1 0.939 0.000 . 2 . . . A 26 LEU HD21 . 18706 1 57 . 1 1 8 8 LEU HD22 H 1 0.939 0.000 . 2 . . . A 26 LEU HD22 . 18706 1 58 . 1 1 8 8 LEU HD23 H 1 0.939 0.000 . 2 . . . A 26 LEU HD23 . 18706 1 59 . 1 1 8 8 LEU CA C 13 57.440 0.000 . 1 . . . A 26 LEU CA . 18706 1 60 . 1 1 8 8 LEU CB C 13 41.242 0.000 . 1 . . . A 26 LEU CB . 18706 1 61 . 1 1 8 8 LEU CG C 13 27.545 0.000 . 1 . . . A 26 LEU CG . 18706 1 62 . 1 1 8 8 LEU CD1 C 13 23.544 0.000 . 1 . . . A 26 LEU CD1 . 18706 1 63 . 1 1 8 8 LEU CD2 C 13 25.144 0.000 . 1 . . . A 26 LEU CD2 . 18706 1 64 . 1 1 8 8 LEU N N 15 116.951 0.000 . 1 . . . A 26 LEU N . 18706 1 65 . 1 1 9 9 VAL H H 1 7.218 0.000 . 1 . . . A 27 VAL H . 18706 1 66 . 1 1 9 9 VAL HA H 1 3.447 0.000 . 1 . . . A 27 VAL HA . 18706 1 67 . 1 1 9 9 VAL HB H 1 2.260 0.000 . 1 . . . A 27 VAL HB . 18706 1 68 . 1 1 9 9 VAL HG11 H 1 0.686 0.000 . 2 . . . A 27 VAL HG11 . 18706 1 69 . 1 1 9 9 VAL HG12 H 1 0.686 0.000 . 2 . . . A 27 VAL HG12 . 18706 1 70 . 1 1 9 9 VAL HG13 H 1 0.686 0.000 . 2 . . . A 27 VAL HG13 . 18706 1 71 . 1 1 9 9 VAL HG21 H 1 0.931 0.000 . 2 . . . A 27 VAL HG21 . 18706 1 72 . 1 1 9 9 VAL HG22 H 1 0.931 0.000 . 2 . . . A 27 VAL HG22 . 18706 1 73 . 1 1 9 9 VAL HG23 H 1 0.931 0.000 . 2 . . . A 27 VAL HG23 . 18706 1 74 . 1 1 9 9 VAL CA C 13 65.752 0.000 . 1 . . . A 27 VAL CA . 18706 1 75 . 1 1 9 9 VAL CB C 13 25.152 0.000 . 1 . . . A 27 VAL CB . 18706 1 76 . 1 1 9 9 VAL CG1 C 13 21.396 0.000 . 1 . . . A 27 VAL CG1 . 18706 1 77 . 1 1 9 9 VAL CG2 C 13 23.334 0.000 . 1 . . . A 27 VAL CG2 . 18706 1 78 . 1 1 9 9 VAL N N 15 118.624 0.000 . 1 . . . A 27 VAL N . 18706 1 79 . 1 1 10 10 VAL H H 1 7.866 0.000 . 1 . . . A 28 VAL H . 18706 1 80 . 1 1 10 10 VAL HA H 1 3.501 0.002 . 1 . . . A 28 VAL HA . 18706 1 81 . 1 1 10 10 VAL HB H 1 1.918 0.000 . 1 . . . A 28 VAL HB . 18706 1 82 . 1 1 10 10 VAL HG11 H 1 0.841 0.000 . 2 . . . A 28 VAL HG11 . 18706 1 83 . 1 1 10 10 VAL HG12 H 1 0.841 0.000 . 2 . . . A 28 VAL HG12 . 18706 1 84 . 1 1 10 10 VAL HG13 H 1 0.841 0.000 . 2 . . . A 28 VAL HG13 . 18706 1 85 . 1 1 10 10 VAL HG21 H 1 0.984 0.003 . 2 . . . A 28 VAL HG21 . 18706 1 86 . 1 1 10 10 VAL HG22 H 1 0.984 0.003 . 2 . . . A 28 VAL HG22 . 18706 1 87 . 1 1 10 10 VAL HG23 H 1 0.984 0.003 . 2 . . . A 28 VAL HG23 . 18706 1 88 . 1 1 10 10 VAL CA C 13 66.968 0.000 . 1 . . . A 28 VAL CA . 18706 1 89 . 1 1 10 10 VAL CB C 13 31.948 0.000 . 1 . . . A 28 VAL CB . 18706 1 90 . 1 1 10 10 VAL CG1 C 13 21.595 0.000 . 1 . . . A 28 VAL CG1 . 18706 1 91 . 1 1 10 10 VAL CG2 C 13 22.647 0.000 . 1 . . . A 28 VAL CG2 . 18706 1 92 . 1 1 10 10 VAL N N 15 118.219 0.000 . 1 . . . A 28 VAL N . 18706 1 93 . 1 1 11 11 ALA H H 1 8.348 0.000 . 1 . . . A 29 ALA H . 18706 1 94 . 1 1 11 11 ALA HA H 1 3.859 0.000 . 1 . . . A 29 ALA HA . 18706 1 95 . 1 1 11 11 ALA HB1 H 1 1.388 0.000 . 1 . . . A 29 ALA HB1 . 18706 1 96 . 1 1 11 11 ALA HB2 H 1 1.388 0.000 . 1 . . . A 29 ALA HB2 . 18706 1 97 . 1 1 11 11 ALA HB3 H 1 1.388 0.000 . 1 . . . A 29 ALA HB3 . 18706 1 98 . 1 1 11 11 ALA CA C 13 55.486 0.000 . 1 . . . A 29 ALA CA . 18706 1 99 . 1 1 11 11 ALA CB C 13 18.727 0.000 . 1 . . . A 29 ALA CB . 18706 1 100 . 1 1 11 11 ALA N N 15 117.871 0.000 . 1 . . . A 29 ALA N . 18706 1 101 . 1 1 12 12 ALA H H 1 8.452 0.000 . 1 . . . A 30 ALA H . 18706 1 102 . 1 1 12 12 ALA HA H 1 3.820 0.001 . 1 . . . A 30 ALA HA . 18706 1 103 . 1 1 12 12 ALA HB1 H 1 1.517 0.000 . 1 . . . A 30 ALA HB1 . 18706 1 104 . 1 1 12 12 ALA HB2 H 1 1.517 0.000 . 1 . . . A 30 ALA HB2 . 18706 1 105 . 1 1 12 12 ALA HB3 H 1 1.517 0.000 . 1 . . . A 30 ALA HB3 . 18706 1 106 . 1 1 12 12 ALA CA C 13 55.509 0.000 . 1 . . . A 30 ALA CA . 18706 1 107 . 1 1 12 12 ALA CB C 13 18.958 0.000 . 1 . . . A 30 ALA CB . 18706 1 108 . 1 1 12 12 ALA N N 15 118.323 0.000 . 1 . . . A 30 ALA N . 18706 1 109 . 1 1 13 13 ASN H H 1 8.226 0.000 . 1 . . . A 31 ASN H . 18706 1 110 . 1 1 13 13 ASN HA H 1 4.470 0.000 . 1 . . . A 31 ASN HA . 18706 1 111 . 1 1 13 13 ASN HB2 H 1 2.904 0.000 . 1 . . . A 31 ASN HB2 . 18706 1 112 . 1 1 13 13 ASN HB3 H 1 2.904 0.000 . 1 . . . A 31 ASN HB3 . 18706 1 113 . 1 1 13 13 ASN CA C 13 55.964 0.000 . 1 . . . A 31 ASN CA . 18706 1 114 . 1 1 13 13 ASN CB C 13 37.441 0.000 . 1 . . . A 31 ASN CB . 18706 1 115 . 1 1 13 13 ASN N N 15 116.443 0.000 . 1 . . . A 31 ASN N . 18706 1 116 . 1 1 14 14 ILE H H 1 8.055 0.000 . 1 . . . A 32 ILE H . 18706 1 117 . 1 1 14 14 ILE HA H 1 3.557 0.001 . 1 . . . A 32 ILE HA . 18706 1 118 . 1 1 14 14 ILE HB H 1 1.953 0.001 . 1 . . . A 32 ILE HB . 18706 1 119 . 1 1 14 14 ILE HG12 H 1 1.404 0.000 . 2 . . . A 32 ILE HG12 . 18706 1 120 . 1 1 14 14 ILE HG13 H 1 1.533 0.000 . 2 . . . A 32 ILE HG13 . 18706 1 121 . 1 1 14 14 ILE HG21 H 1 0.825 0.000 . 1 . . . A 32 ILE HG21 . 18706 1 122 . 1 1 14 14 ILE HG22 H 1 0.825 0.000 . 1 . . . A 32 ILE HG22 . 18706 1 123 . 1 1 14 14 ILE HG23 H 1 0.825 0.000 . 1 . . . A 32 ILE HG23 . 18706 1 124 . 1 1 14 14 ILE HD11 H 1 0.793 0.000 . 1 . . . A 32 ILE HD11 . 18706 1 125 . 1 1 14 14 ILE HD12 H 1 0.793 0.000 . 1 . . . A 32 ILE HD12 . 18706 1 126 . 1 1 14 14 ILE HD13 H 1 0.793 0.000 . 1 . . . A 32 ILE HD13 . 18706 1 127 . 1 1 14 14 ILE CA C 13 65.529 0.000 . 1 . . . A 32 ILE CA . 18706 1 128 . 1 1 14 14 ILE CB C 13 37.736 0.000 . 1 . . . A 32 ILE CB . 18706 1 129 . 1 1 14 14 ILE CG1 C 13 29.800 0.000 . 1 . . . A 32 ILE CG1 . 18706 1 130 . 1 1 14 14 ILE CG2 C 13 16.874 0.000 . 1 . . . A 32 ILE CG2 . 18706 1 131 . 1 1 14 14 ILE CD1 C 13 13.619 0.000 . 1 . . . A 32 ILE CD1 . 18706 1 132 . 1 1 14 14 ILE N N 15 118.219 0.000 . 1 . . . A 32 ILE N . 18706 1 133 . 1 1 15 15 ILE H H 1 8.753 0.000 . 1 . . . A 33 ILE H . 18706 1 134 . 1 1 15 15 ILE HA H 1 3.590 0.004 . 1 . . . A 33 ILE HA . 18706 1 135 . 1 1 15 15 ILE HB H 1 2.134 0.000 . 1 . . . A 33 ILE HB . 18706 1 136 . 1 1 15 15 ILE HG12 H 1 1.656 0.000 . 2 . . . A 33 ILE HG12 . 18706 1 137 . 1 1 15 15 ILE HG13 H 1 1.150 0.000 . 2 . . . A 33 ILE HG13 . 18706 1 138 . 1 1 15 15 ILE HG21 H 1 0.938 0.003 . 1 . . . A 33 ILE HG21 . 18706 1 139 . 1 1 15 15 ILE HG22 H 1 0.938 0.003 . 1 . . . A 33 ILE HG22 . 18706 1 140 . 1 1 15 15 ILE HG23 H 1 0.938 0.003 . 1 . . . A 33 ILE HG23 . 18706 1 141 . 1 1 15 15 ILE HD11 H 1 0.760 0.000 . 1 . . . A 33 ILE HD11 . 18706 1 142 . 1 1 15 15 ILE HD12 H 1 0.760 0.000 . 1 . . . A 33 ILE HD12 . 18706 1 143 . 1 1 15 15 ILE HD13 H 1 0.760 0.000 . 1 . . . A 33 ILE HD13 . 18706 1 144 . 1 1 15 15 ILE CA C 13 65.111 0.000 . 1 . . . A 33 ILE CA . 18706 1 145 . 1 1 15 15 ILE CB C 13 35.842 0.000 . 1 . . . A 33 ILE CB . 18706 1 146 . 1 1 15 15 ILE CG1 C 13 31.462 0.000 . 1 . . . A 33 ILE CG1 . 18706 1 147 . 1 1 15 15 ILE CG2 C 13 18.709 0.000 . 1 . . . A 33 ILE CG2 . 18706 1 148 . 1 1 15 15 ILE CD1 C 13 12.716 0.000 . 1 . . . A 33 ILE CD1 . 18706 1 149 . 1 1 15 15 ILE N N 15 120.114 0.000 . 1 . . . A 33 ILE N . 18706 1 150 . 1 1 16 16 GLY HA2 H 1 3.615 0.000 . 2 . . . A 34 GLY HA2 . 18706 1 151 . 1 1 16 16 GLY HA3 H 1 4.005 0.000 . 2 . . . A 34 GLY HA3 . 18706 1 152 . 1 1 16 16 GLY CA C 13 46.649 0.000 . 1 . . . A 34 GLY CA . 18706 1 153 . 1 1 16 16 GLY N N 15 108.895 0.000 . 1 . . . A 34 GLY N . 18706 1 154 . 1 1 17 17 ILE H H 1 7.478 0.003 . 1 . . . A 35 ILE H . 18706 1 155 . 1 1 17 17 ILE HA H 1 3.797 0.001 . 1 . . . A 35 ILE HA . 18706 1 156 . 1 1 17 17 ILE HB H 1 1.962 0.000 . 1 . . . A 35 ILE HB . 18706 1 157 . 1 1 17 17 ILE HG12 H 1 2.144 0.000 . 2 . . . A 35 ILE HG12 . 18706 1 158 . 1 1 17 17 ILE HG13 H 1 1.377 0.000 . 2 . . . A 35 ILE HG13 . 18706 1 159 . 1 1 17 17 ILE HG21 H 1 0.829 0.000 . 1 . . . A 35 ILE HG21 . 18706 1 160 . 1 1 17 17 ILE HG22 H 1 0.829 0.000 . 1 . . . A 35 ILE HG22 . 18706 1 161 . 1 1 17 17 ILE HG23 H 1 0.829 0.000 . 1 . . . A 35 ILE HG23 . 18706 1 162 . 1 1 17 17 ILE HD11 H 1 0.795 0.000 . 1 . . . A 35 ILE HD11 . 18706 1 163 . 1 1 17 17 ILE HD12 H 1 0.795 0.000 . 1 . . . A 35 ILE HD12 . 18706 1 164 . 1 1 17 17 ILE HD13 H 1 0.795 0.000 . 1 . . . A 35 ILE HD13 . 18706 1 165 . 1 1 17 17 ILE CA C 13 65.632 0.000 . 1 . . . A 35 ILE CA . 18706 1 166 . 1 1 17 17 ILE CB C 13 37.845 0.000 . 1 . . . A 35 ILE CB . 18706 1 167 . 1 1 17 17 ILE CG1 C 13 29.449 0.000 . 1 . . . A 35 ILE CG1 . 18706 1 168 . 1 1 17 17 ILE CG2 C 13 16.990 0.000 . 1 . . . A 35 ILE CG2 . 18706 1 169 . 1 1 17 17 ILE CD1 C 13 13.654 0.000 . 1 . . . A 35 ILE CD1 . 18706 1 170 . 1 1 17 17 ILE N N 15 121.351 0.000 . 1 . . . A 35 ILE N . 18706 1 171 . 1 1 18 18 LEU H H 1 8.726 0.000 . 1 . . . A 36 LEU H . 18706 1 172 . 1 1 18 18 LEU HA H 1 3.870 0.000 . 1 . . . A 36 LEU HA . 18706 1 173 . 1 1 18 18 LEU HB2 H 1 1.723 0.001 . 2 . . . A 36 LEU HB2 . 18706 1 174 . 1 1 18 18 LEU HB3 H 1 1.666 0.000 . 2 . . . A 36 LEU HB3 . 18706 1 175 . 1 1 18 18 LEU HD11 H 1 0.774 0.000 . 2 . . . A 36 LEU HD11 . 18706 1 176 . 1 1 18 18 LEU HD12 H 1 0.774 0.000 . 2 . . . A 36 LEU HD12 . 18706 1 177 . 1 1 18 18 LEU HD13 H 1 0.774 0.000 . 2 . . . A 36 LEU HD13 . 18706 1 178 . 1 1 18 18 LEU HD21 H 1 0.805 0.000 . 2 . . . A 36 LEU HD21 . 18706 1 179 . 1 1 18 18 LEU HD22 H 1 0.805 0.000 . 2 . . . A 36 LEU HD22 . 18706 1 180 . 1 1 18 18 LEU HD23 H 1 0.805 0.000 . 2 . . . A 36 LEU HD23 . 18706 1 181 . 1 1 18 18 LEU CA C 13 57.867 0.000 . 1 . . . A 36 LEU CA . 18706 1 182 . 1 1 18 18 LEU CB C 13 42.058 0.000 . 1 . . . A 36 LEU CB . 18706 1 183 . 1 1 18 18 LEU CG C 13 26.862 0.000 . 1 . . . A 36 LEU CG . 18706 1 184 . 1 1 18 18 LEU CD1 C 13 24.250 0.000 . 1 . . . A 36 LEU CD1 . 18706 1 185 . 1 1 18 18 LEU CD2 C 13 23.896 0.000 . 1 . . . A 36 LEU CD2 . 18706 1 186 . 1 1 18 18 LEU N N 15 119.361 0.000 . 1 . . . A 36 LEU N . 18706 1 187 . 1 1 19 19 HIS H H 1 9.111 0.000 . 1 . . . A 37 HIS H . 18706 1 188 . 1 1 19 19 HIS HA H 1 4.112 0.010 . 1 . . . A 37 HIS HA . 18706 1 189 . 1 1 19 19 HIS HB2 H 1 3.350 0.002 . 2 . . . A 37 HIS HB2 . 18706 1 190 . 1 1 19 19 HIS HB3 H 1 3.148 0.008 . 2 . . . A 37 HIS HB3 . 18706 1 191 . 1 1 19 19 HIS HD2 H 1 6.260 0.000 . 1 . . . A 37 HIS HD2 . 18706 1 192 . 1 1 19 19 HIS HE1 H 1 4.920 0.000 . 1 . . . A 37 HIS HE1 . 18706 1 193 . 1 1 19 19 HIS CA C 13 57.307 0.000 . 1 . . . A 37 HIS CA . 18706 1 194 . 1 1 19 19 HIS CB C 13 30.893 0.000 . 1 . . . A 37 HIS CB . 18706 1 195 . 1 1 19 19 HIS CD2 C 13 119.700 0.000 . 1 . . . A 37 HIS CD2 . 18706 1 196 . 1 1 19 19 HIS CE1 C 13 135.330 0.000 . 1 . . . A 37 HIS CE1 . 18706 1 197 . 1 1 19 19 HIS N N 15 116.547 0.000 . 1 . . . A 37 HIS N . 18706 1 198 . 1 1 20 20 LEU H H 1 6.860 0.000 . 1 . . . A 38 LEU H . 18706 1 199 . 1 1 20 20 LEU HA H 1 3.013 0.000 . 1 . . . A 38 LEU HA . 18706 1 200 . 1 1 20 20 LEU HB2 H 1 1.867 0.000 . 2 . . . A 38 LEU HB2 . 18706 1 201 . 1 1 20 20 LEU HB3 H 1 1.927 0.004 . 2 . . . A 38 LEU HB3 . 18706 1 202 . 1 1 20 20 LEU HD11 H 1 0.851 0.000 . 2 . . . A 38 LEU HD11 . 18706 1 203 . 1 1 20 20 LEU HD12 H 1 0.851 0.000 . 2 . . . A 38 LEU HD12 . 18706 1 204 . 1 1 20 20 LEU HD13 H 1 0.851 0.000 . 2 . . . A 38 LEU HD13 . 18706 1 205 . 1 1 20 20 LEU HD21 H 1 0.736 0.000 . 2 . . . A 38 LEU HD21 . 18706 1 206 . 1 1 20 20 LEU HD22 H 1 0.736 0.000 . 2 . . . A 38 LEU HD22 . 18706 1 207 . 1 1 20 20 LEU HD23 H 1 0.736 0.000 . 2 . . . A 38 LEU HD23 . 18706 1 208 . 1 1 20 20 LEU CA C 13 58.434 0.000 . 1 . . . A 38 LEU CA . 18706 1 209 . 1 1 20 20 LEU CB C 13 37.761 0.000 . 1 . . . A 38 LEU CB . 18706 1 210 . 1 1 20 20 LEU CG C 13 27.061 0.000 . 1 . . . A 38 LEU CG . 18706 1 211 . 1 1 20 20 LEU CD1 C 13 25.232 0.000 . 1 . . . A 38 LEU CD1 . 18706 1 212 . 1 1 20 20 LEU CD2 C 13 23.487 0.000 . 1 . . . A 38 LEU CD2 . 18706 1 213 . 1 1 20 20 LEU N N 15 117.109 0.000 . 1 . . . A 38 LEU N . 18706 1 214 . 1 1 21 21 ILE H H 1 7.626 0.000 . 1 . . . A 39 ILE H . 18706 1 215 . 1 1 21 21 ILE HA H 1 3.382 0.000 . 1 . . . A 39 ILE HA . 18706 1 216 . 1 1 21 21 ILE HB H 1 1.943 0.000 . 1 . . . A 39 ILE HB . 18706 1 217 . 1 1 21 21 ILE HG12 H 1 1.758 0.000 . 2 . . . A 39 ILE HG12 . 18706 1 218 . 1 1 21 21 ILE HG13 H 1 0.985 0.000 . 2 . . . A 39 ILE HG13 . 18706 1 219 . 1 1 21 21 ILE HG21 H 1 0.822 0.000 . 1 . . . A 39 ILE HG21 . 18706 1 220 . 1 1 21 21 ILE HG22 H 1 0.822 0.000 . 1 . . . A 39 ILE HG22 . 18706 1 221 . 1 1 21 21 ILE HG23 H 1 0.822 0.000 . 1 . . . A 39 ILE HG23 . 18706 1 222 . 1 1 21 21 ILE HD11 H 1 0.729 0.000 . 1 . . . A 39 ILE HD11 . 18706 1 223 . 1 1 21 21 ILE HD12 H 1 0.729 0.000 . 1 . . . A 39 ILE HD12 . 18706 1 224 . 1 1 21 21 ILE HD13 H 1 0.729 0.000 . 1 . . . A 39 ILE HD13 . 18706 1 225 . 1 1 21 21 ILE CA C 13 65.812 0.000 . 1 . . . A 39 ILE CA . 18706 1 226 . 1 1 21 21 ILE CB C 13 37.562 0.000 . 1 . . . A 39 ILE CB . 18706 1 227 . 1 1 21 21 ILE CG1 C 13 28.699 0.000 . 1 . . . A 39 ILE CG1 . 18706 1 228 . 1 1 21 21 ILE CG2 C 13 16.710 0.000 . 1 . . . A 39 ILE CG2 . 18706 1 229 . 1 1 21 21 ILE CD1 C 13 12.940 0.000 . 1 . . . A 39 ILE CD1 . 18706 1 230 . 1 1 21 21 ILE N N 15 117.022 0.000 . 1 . . . A 39 ILE N . 18706 1 231 . 1 1 22 22 LEU H H 1 8.827 0.000 . 1 . . . A 40 LEU H . 18706 1 232 . 1 1 22 22 LEU HA H 1 4.012 0.000 . 1 . . . A 40 LEU HA . 18706 1 233 . 1 1 22 22 LEU HB2 H 1 2.048 0.161 . 2 . . . A 40 LEU HB2 . 18706 1 234 . 1 1 22 22 LEU HB3 H 1 2.084 0.000 . 2 . . . A 40 LEU HB3 . 18706 1 235 . 1 1 22 22 LEU HD11 H 1 0.876 0.000 . 2 . . . A 40 LEU HD11 . 18706 1 236 . 1 1 22 22 LEU HD12 H 1 0.876 0.000 . 2 . . . A 40 LEU HD12 . 18706 1 237 . 1 1 22 22 LEU HD13 H 1 0.876 0.000 . 2 . . . A 40 LEU HD13 . 18706 1 238 . 1 1 22 22 LEU HD21 H 1 0.760 0.000 . 2 . . . A 40 LEU HD21 . 18706 1 239 . 1 1 22 22 LEU HD22 H 1 0.760 0.000 . 2 . . . A 40 LEU HD22 . 18706 1 240 . 1 1 22 22 LEU HD23 H 1 0.760 0.000 . 2 . . . A 40 LEU HD23 . 18706 1 241 . 1 1 22 22 LEU CA C 13 58.032 0.000 . 1 . . . A 40 LEU CA . 18706 1 242 . 1 1 22 22 LEU CB C 13 41.947 0.000 . 1 . . . A 40 LEU CB . 18706 1 243 . 1 1 22 22 LEU CG C 13 26.770 0.000 . 1 . . . A 40 LEU CG . 18706 1 244 . 1 1 22 22 LEU CD1 C 13 26.130 0.000 . 1 . . . A 40 LEU CD1 . 18706 1 245 . 1 1 22 22 LEU CD2 C 13 24.100 0.000 . 1 . . . A 40 LEU CD2 . 18706 1 246 . 1 1 22 22 LEU N N 15 116.396 0.000 . 1 . . . A 40 LEU N . 18706 1 247 . 1 1 23 23 TRP H H 1 8.229 0.000 . 1 . . . A 41 TRP H . 18706 1 248 . 1 1 23 23 TRP HA H 1 4.343 0.000 . 1 . . . A 41 TRP HA . 18706 1 249 . 1 1 23 23 TRP HB2 H 1 3.048 0.000 . 2 . . . A 41 TRP HB2 . 18706 1 250 . 1 1 23 23 TRP HB3 H 1 3.041 0.010 . 2 . . . A 41 TRP HB3 . 18706 1 251 . 1 1 23 23 TRP HD1 H 1 7.340 0.000 . 1 . . . A 41 TRP HD1 . 18706 1 252 . 1 1 23 23 TRP HE1 H 1 11.099 0.000 . 1 . . . A 41 TRP HE1 . 18706 1 253 . 1 1 23 23 TRP HZ2 H 1 7.891 0.000 . 1 . . . A 41 TRP HZ2 . 18706 1 254 . 1 1 23 23 TRP HZ3 H 1 6.760 0.000 . 1 . . . A 41 TRP HZ3 . 18706 1 255 . 1 1 23 23 TRP HH2 H 1 7.001 0.000 . 1 . . . A 41 TRP HH2 . 18706 1 256 . 1 1 23 23 TRP CA C 13 62.301 0.000 . 1 . . . A 41 TRP CA . 18706 1 257 . 1 1 23 23 TRP CB C 13 27.395 0.000 . 1 . . . A 41 TRP CB . 18706 1 258 . 1 1 23 23 TRP CD1 C 13 127.000 0.000 . 1 . . . A 41 TRP CD1 . 18706 1 259 . 1 1 23 23 TRP CZ2 C 13 114.000 0.000 . 1 . . . A 41 TRP CZ2 . 18706 1 260 . 1 1 23 23 TRP CH2 C 13 124.000 0.000 . 1 . . . A 41 TRP CH2 . 18706 1 261 . 1 1 23 23 TRP N N 15 119.815 0.000 . 1 . . . A 41 TRP N . 18706 1 262 . 1 1 23 23 TRP NE1 N 15 131.070 0.000 . 1 . . . A 41 TRP NE1 . 18706 1 263 . 1 1 24 24 ILE H H 1 8.432 0.000 . 1 . . . A 42 ILE H . 18706 1 264 . 1 1 24 24 ILE HA H 1 3.051 0.000 . 1 . . . A 42 ILE HA . 18706 1 265 . 1 1 24 24 ILE HB H 1 1.920 0.000 . 1 . . . A 42 ILE HB . 18706 1 266 . 1 1 24 24 ILE HG12 H 1 1.022 0.000 . 2 . . . A 42 ILE HG12 . 18706 1 267 . 1 1 24 24 ILE HG13 H 1 1.932 0.000 . 2 . . . A 42 ILE HG13 . 18706 1 268 . 1 1 24 24 ILE HG21 H 1 0.765 0.000 . 1 . . . A 42 ILE HG21 . 18706 1 269 . 1 1 24 24 ILE HG22 H 1 0.765 0.000 . 1 . . . A 42 ILE HG22 . 18706 1 270 . 1 1 24 24 ILE HG23 H 1 0.765 0.000 . 1 . . . A 42 ILE HG23 . 18706 1 271 . 1 1 24 24 ILE HD11 H 1 0.707 0.000 . 1 . . . A 42 ILE HD11 . 18706 1 272 . 1 1 24 24 ILE HD12 H 1 0.707 0.000 . 1 . . . A 42 ILE HD12 . 18706 1 273 . 1 1 24 24 ILE HD13 H 1 0.707 0.000 . 1 . . . A 42 ILE HD13 . 18706 1 274 . 1 1 24 24 ILE CA C 13 65.166 0.000 . 1 . . . A 42 ILE CA . 18706 1 275 . 1 1 24 24 ILE CB C 13 37.696 0.000 . 1 . . . A 42 ILE CB . 18706 1 276 . 1 1 24 24 ILE CG1 C 13 29.265 0.000 . 1 . . . A 42 ILE CG1 . 18706 1 277 . 1 1 24 24 ILE CG2 C 13 17.316 0.000 . 1 . . . A 42 ILE CG2 . 18706 1 278 . 1 1 24 24 ILE CD1 C 13 13.266 0.000 . 1 . . . A 42 ILE CD1 . 18706 1 279 . 1 1 24 24 ILE N N 15 118.537 0.000 . 1 . . . A 42 ILE N . 18706 1 280 . 1 1 25 25 LEU H H 1 8.149 0.000 . 1 . . . A 43 LEU H . 18706 1 281 . 1 1 25 25 LEU HA H 1 4.005 0.000 . 1 . . . A 43 LEU HA . 18706 1 282 . 1 1 25 25 LEU HB2 H 1 1.472 0.000 . 2 . . . A 43 LEU HB2 . 18706 1 283 . 1 1 25 25 LEU HB3 H 1 2.168 0.000 . 2 . . . A 43 LEU HB3 . 18706 1 284 . 1 1 25 25 LEU HD11 H 1 0.877 0.002 . 2 . . . A 43 LEU HD11 . 18706 1 285 . 1 1 25 25 LEU HD12 H 1 0.877 0.002 . 2 . . . A 43 LEU HD12 . 18706 1 286 . 1 1 25 25 LEU HD13 H 1 0.877 0.002 . 2 . . . A 43 LEU HD13 . 18706 1 287 . 1 1 25 25 LEU HD21 H 1 0.900 0.000 . 2 . . . A 43 LEU HD21 . 18706 1 288 . 1 1 25 25 LEU HD22 H 1 0.900 0.000 . 2 . . . A 43 LEU HD22 . 18706 1 289 . 1 1 25 25 LEU HD23 H 1 0.900 0.000 . 2 . . . A 43 LEU HD23 . 18706 1 290 . 1 1 25 25 LEU CA C 13 58.472 0.000 . 1 . . . A 43 LEU CA . 18706 1 291 . 1 1 25 25 LEU CB C 13 41.942 0.000 . 1 . . . A 43 LEU CB . 18706 1 292 . 1 1 25 25 LEU CG C 13 26.770 0.000 . 1 . . . A 43 LEU CG . 18706 1 293 . 1 1 25 25 LEU CD1 C 13 26.125 0.000 . 1 . . . A 43 LEU CD1 . 18706 1 294 . 1 1 25 25 LEU CD2 C 13 23.323 0.000 . 1 . . . A 43 LEU CD2 . 18706 1 295 . 1 1 25 25 LEU N N 15 118.124 0.000 . 1 . . . A 43 LEU N . 18706 1 296 . 1 1 26 26 ASP H H 1 8.572 0.011 . 1 . . . A 44 ASP H . 18706 1 297 . 1 1 26 26 ASP HA H 1 4.580 0.000 . 1 . . . A 44 ASP HA . 18706 1 298 . 1 1 26 26 ASP HB2 H 1 3.340 0.000 . 2 . . . A 44 ASP HB2 . 18706 1 299 . 1 1 26 26 ASP HB3 H 1 3.079 0.000 . 2 . . . A 44 ASP HB3 . 18706 1 300 . 1 1 26 26 ASP CA C 13 58.165 0.000 . 1 . . . A 44 ASP CA . 18706 1 301 . 1 1 26 26 ASP CB C 13 43.647 0.000 . 1 . . . A 44 ASP CB . 18706 1 302 . 1 1 26 26 ASP N N 15 119.401 0.000 . 1 . . . A 44 ASP N . 18706 1 303 . 1 1 27 27 ARG H H 1 7.962 0.000 . 1 . . . A 45 ARG H . 18706 1 304 . 1 1 27 27 ARG HA H 1 3.954 0.000 . 1 . . . A 45 ARG HA . 18706 1 305 . 1 1 27 27 ARG HB2 H 1 1.464 0.000 . 2 . . . A 45 ARG HB2 . 18706 1 306 . 1 1 27 27 ARG HB3 H 1 1.375 0.000 . 2 . . . A 45 ARG HB3 . 18706 1 307 . 1 1 27 27 ARG HG2 H 1 1.679 0.000 . 2 . . . A 45 ARG HG2 . 18706 1 308 . 1 1 27 27 ARG HG3 H 1 1.792 0.000 . 2 . . . A 45 ARG HG3 . 18706 1 309 . 1 1 27 27 ARG HD2 H 1 3.199 0.000 . 2 . . . A 45 ARG HD2 . 18706 1 310 . 1 1 27 27 ARG HD3 H 1 3.002 0.000 . 2 . . . A 45 ARG HD3 . 18706 1 311 . 1 1 27 27 ARG CA C 13 56.437 0.000 . 1 . . . A 45 ARG CA . 18706 1 312 . 1 1 27 27 ARG CB C 13 29.411 0.000 . 1 . . . A 45 ARG CB . 18706 1 313 . 1 1 27 27 ARG CG C 13 26.601 0.000 . 1 . . . A 45 ARG CG . 18706 1 314 . 1 1 27 27 ARG CD C 13 42.907 0.000 . 1 . . . A 45 ARG CD . 18706 1 315 . 1 1 27 27 ARG N N 15 115.835 0.000 . 1 . . . A 45 ARG N . 18706 1 316 . 1 1 28 28 LEU H H 1 8.047 0.000 . 1 . . . A 46 LEU H . 18706 1 317 . 1 1 28 28 LEU HA H 1 3.952 0.000 . 1 . . . A 46 LEU HA . 18706 1 318 . 1 1 28 28 LEU HB2 H 1 1.381 0.000 . 2 . . . A 46 LEU HB2 . 18706 1 319 . 1 1 28 28 LEU HB3 H 1 0.585 0.000 . 2 . . . A 46 LEU HB3 . 18706 1 320 . 1 1 28 28 LEU HD11 H 1 0.555 0.003 . 2 . . . A 46 LEU HD11 . 18706 1 321 . 1 1 28 28 LEU HD12 H 1 0.555 0.003 . 2 . . . A 46 LEU HD12 . 18706 1 322 . 1 1 28 28 LEU HD13 H 1 0.555 0.003 . 2 . . . A 46 LEU HD13 . 18706 1 323 . 1 1 28 28 LEU HD21 H 1 0.600 0.000 . 2 . . . A 46 LEU HD21 . 18706 1 324 . 1 1 28 28 LEU HD22 H 1 0.600 0.000 . 2 . . . A 46 LEU HD22 . 18706 1 325 . 1 1 28 28 LEU HD23 H 1 0.600 0.000 . 2 . . . A 46 LEU HD23 . 18706 1 326 . 1 1 28 28 LEU CA C 13 56.521 0.000 . 1 . . . A 46 LEU CA . 18706 1 327 . 1 1 28 28 LEU CB C 13 43.024 0.000 . 1 . . . A 46 LEU CB . 18706 1 328 . 1 1 28 28 LEU CG C 13 26.527 0.000 . 1 . . . A 46 LEU CG . 18706 1 329 . 1 1 28 28 LEU CD1 C 13 23.066 0.000 . 1 . . . A 46 LEU CD1 . 18706 1 330 . 1 1 28 28 LEU CD2 C 13 25.783 0.000 . 1 . . . A 46 LEU CD2 . 18706 1 331 . 1 1 28 28 LEU N N 15 114.591 0.000 . 1 . . . A 46 LEU N . 18706 1 332 . 1 1 29 29 PHE H H 1 8.030 0.000 . 1 . . . A 47 PHE H . 18706 1 333 . 1 1 29 29 PHE HA H 1 4.618 0.005 . 1 . . . A 47 PHE HA . 18706 1 334 . 1 1 29 29 PHE HB2 H 1 2.622 0.006 . 1 . . . A 47 PHE HB2 . 18706 1 335 . 1 1 29 29 PHE HB3 H 1 2.622 0.006 . 1 . . . A 47 PHE HB3 . 18706 1 336 . 1 1 29 29 PHE HD1 H 1 7.236 0.003 . 1 . . . A 47 PHE HD1 . 18706 1 337 . 1 1 29 29 PHE HD2 H 1 7.236 0.003 . 1 . . . A 47 PHE HD2 . 18706 1 338 . 1 1 29 29 PHE HE1 H 1 7.121 0.000 . 1 . . . A 47 PHE HE1 . 18706 1 339 . 1 1 29 29 PHE HE2 H 1 7.121 0.000 . 1 . . . A 47 PHE HE2 . 18706 1 340 . 1 1 29 29 PHE HZ H 1 7.065 0.000 . 1 . . . A 47 PHE HZ . 18706 1 341 . 1 1 29 29 PHE CA C 13 59.065 0.000 . 1 . . . A 47 PHE CA . 18706 1 342 . 1 1 29 29 PHE CB C 13 41.119 0.000 . 1 . . . A 47 PHE CB . 18706 1 343 . 1 1 29 29 PHE CD2 C 13 131.954 0.000 . 1 . . . A 47 PHE CD2 . 18706 1 344 . 1 1 29 29 PHE CE2 C 13 130.519 0.000 . 1 . . . A 47 PHE CE2 . 18706 1 345 . 1 1 29 29 PHE CZ C 13 128.695 0.000 . 1 . . . A 47 PHE CZ . 18706 1 346 . 1 1 29 29 PHE N N 15 112.891 0.000 . 1 . . . A 47 PHE N . 18706 1 347 . 1 1 30 30 PHE H H 1 8.300 0.000 . 1 . . . A 48 PHE H . 18706 1 348 . 1 1 30 30 PHE HA H 1 4.893 0.000 . 1 . . . A 48 PHE HA . 18706 1 349 . 1 1 30 30 PHE HB2 H 1 3.349 0.000 . 1 . . . A 48 PHE HB2 . 18706 1 350 . 1 1 30 30 PHE HB3 H 1 3.349 0.000 . 1 . . . A 48 PHE HB3 . 18706 1 351 . 1 1 30 30 PHE HD1 H 1 7.495 0.000 . 1 . . . A 48 PHE HD1 . 18706 1 352 . 1 1 30 30 PHE HD2 H 1 7.495 0.000 . 1 . . . A 48 PHE HD2 . 18706 1 353 . 1 1 30 30 PHE HE1 H 1 7.195 0.000 . 1 . . . A 48 PHE HE1 . 18706 1 354 . 1 1 30 30 PHE HE2 H 1 7.195 0.000 . 1 . . . A 48 PHE HE2 . 18706 1 355 . 1 1 30 30 PHE HZ H 1 7.240 0.000 . 1 . . . A 48 PHE HZ . 18706 1 356 . 1 1 30 30 PHE CA C 13 57.576 0.000 . 1 . . . A 48 PHE CA . 18706 1 357 . 1 1 30 30 PHE CB C 13 39.388 0.000 . 1 . . . A 48 PHE CB . 18706 1 358 . 1 1 30 30 PHE CD2 C 13 132.436 0.000 . 1 . . . A 48 PHE CD2 . 18706 1 359 . 1 1 30 30 PHE CE2 C 13 130.480 0.000 . 1 . . . A 48 PHE CE2 . 18706 1 360 . 1 1 30 30 PHE CZ C 13 130.722 0.000 . 1 . . . A 48 PHE CZ . 18706 1 361 . 1 1 30 30 PHE N N 15 118.885 0.000 . 1 . . . A 48 PHE N . 18706 1 362 . 1 1 31 31 LYS H H 1 7.581 0.000 . 1 . . . A 49 LYS H . 18706 1 363 . 1 1 31 31 LYS HA H 1 4.093 0.000 . 1 . . . A 49 LYS HA . 18706 1 364 . 1 1 31 31 LYS HB2 H 1 1.790 0.000 . 1 . . . A 49 LYS HB2 . 18706 1 365 . 1 1 31 31 LYS HB3 H 1 1.790 0.000 . 1 . . . A 49 LYS HB3 . 18706 1 366 . 1 1 31 31 LYS HG2 H 1 1.389 0.000 . 1 . . . A 49 LYS HG2 . 18706 1 367 . 1 1 31 31 LYS HG3 H 1 1.390 0.000 . 1 . . . A 49 LYS HG3 . 18706 1 368 . 1 1 31 31 LYS HD2 H 1 1.672 0.000 . 2 . . . A 49 LYS HD2 . 18706 1 369 . 1 1 31 31 LYS HD3 H 1 1.674 0.000 . 2 . . . A 49 LYS HD3 . 18706 1 370 . 1 1 31 31 LYS HE2 H 1 2.983 0.000 . 1 . . . A 49 LYS HE2 . 18706 1 371 . 1 1 31 31 LYS HE3 H 1 2.984 0.000 . 1 . . . A 49 LYS HE3 . 18706 1 372 . 1 1 31 31 LYS CA C 13 58.338 0.000 . 1 . . . A 49 LYS CA . 18706 1 373 . 1 1 31 31 LYS CB C 13 33.587 0.000 . 1 . . . A 49 LYS CB . 18706 1 374 . 1 1 31 31 LYS CG C 13 24.978 0.000 . 1 . . . A 49 LYS CG . 18706 1 375 . 1 1 31 31 LYS CD C 13 29.374 0.000 . 1 . . . A 49 LYS CD . 18706 1 376 . 1 1 31 31 LYS CE C 13 42.254 0.000 . 1 . . . A 49 LYS CE . 18706 1 377 . 1 1 31 31 LYS N N 15 126.053 0.000 . 1 . . . A 49 LYS N . 18706 1 stop_ save_