################################### # 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 17492 _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' . . . 17492 1 2 '3D HNHA' . . . 17492 1 3 '3D CBCA(CO)NH' . . . 17492 1 4 '3D HCCH-TOCSY' . . . 17492 1 5 '3D HNCO' . . . 17492 1 6 rtm-HNCA . . . 17492 1 7 '3D HNCACB' . . . 17492 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 3.695 . . . . . . A 1 GLY HA2 . 17492 1 2 . 1 1 1 1 GLY HA3 H 1 3.695 . . . . . . A 1 GLY HA3 . 17492 1 3 . 1 1 1 1 GLY C C 13 187.394 . . . . . . A 1 GLY C . 17492 1 4 . 1 1 1 1 GLY CA C 13 43.015 . . . . . . A 1 GLY CA . 17492 1 5 . 1 1 2 2 ASN H H 1 8.414 . . . . . . A 2 ASN H . 17492 1 6 . 1 1 2 2 ASN HA H 1 4.698 . . . . . . A 2 ASN HA . 17492 1 7 . 1 1 2 2 ASN HB2 H 1 2.803 . . . . . . A 2 ASN HB2 . 17492 1 8 . 1 1 2 2 ASN HB3 H 1 2.994 . . . . . . A 2 ASN HB3 . 17492 1 9 . 1 1 2 2 ASN HD21 H 1 7.651 . . . . . . A 2 ASN HD21 . 17492 1 10 . 1 1 2 2 ASN HD22 H 1 7.013 . . . . . . A 2 ASN HD22 . 17492 1 11 . 1 1 2 2 ASN C C 13 175.518 . . . . . . A 2 ASN C . 17492 1 12 . 1 1 2 2 ASN CA C 13 52.952 . . . . . . A 2 ASN CA . 17492 1 13 . 1 1 2 2 ASN CB C 13 43.998 . . . . . . A 2 ASN CB . 17492 1 14 . 1 1 2 2 ASN N N 15 116.191 . . . . . . A 2 ASN N . 17492 1 15 . 1 1 2 2 ASN ND2 N 15 110.069 . . . . . . A 2 ASN ND2 . 17492 1 16 . 1 1 3 3 ALA H H 1 8.940 . . . . . . A 3 ALA H . 17492 1 17 . 1 1 3 3 ALA HA H 1 3.910 . . . . . . A 3 ALA HA . 17492 1 18 . 1 1 3 3 ALA HB1 H 1 1.364 . . . . . . A 3 ALA HB1 . 17492 1 19 . 1 1 3 3 ALA HB2 H 1 1.364 . . . . . . A 3 ALA HB2 . 17492 1 20 . 1 1 3 3 ALA HB3 H 1 1.364 . . . . . . A 3 ALA HB3 . 17492 1 21 . 1 1 3 3 ALA C C 13 178.304 . . . . . . A 3 ALA C . 17492 1 22 . 1 1 3 3 ALA CA C 13 55.218 . . . . . . A 3 ALA CA . 17492 1 23 . 1 1 3 3 ALA CB C 13 18.036 . . . . . . A 3 ALA CB . 17492 1 24 . 1 1 3 3 ALA N N 15 124.795 . . . . . . A 3 ALA N . 17492 1 25 . 1 1 4 4 ALA H H 1 8.181 . . . . . . A 4 ALA H . 17492 1 26 . 1 1 4 4 ALA HA H 1 3.980 . . . . . . A 4 ALA HA . 17492 1 27 . 1 1 4 4 ALA HB1 H 1 1.444 . . . . . . A 4 ALA HB1 . 17492 1 28 . 1 1 4 4 ALA HB2 H 1 1.444 . . . . . . A 4 ALA HB2 . 17492 1 29 . 1 1 4 4 ALA HB3 H 1 1.444 . . . . . . A 4 ALA HB3 . 17492 1 30 . 1 1 4 4 ALA C C 13 179.866 . . . . . . A 4 ALA C . 17492 1 31 . 1 1 4 4 ALA CA C 13 54.928 . . . . . . A 4 ALA CA . 17492 1 32 . 1 1 4 4 ALA CB C 13 17.602 . . . . . . A 4 ALA CB . 17492 1 33 . 1 1 4 4 ALA N N 15 117.862 . . . . . . A 4 ALA N . 17492 1 34 . 1 1 5 5 CYS H H 1 7.836 . . . . . . A 5 CYS H . 17492 1 35 . 1 1 5 5 CYS HA H 1 4.038 . . . . . . A 5 CYS HA . 17492 1 36 . 1 1 5 5 CYS HB2 H 1 3.213 . . . . . . A 5 CYS HB2 . 17492 1 37 . 1 1 5 5 CYS HB3 H 1 3.732 . . . . . . A 5 CYS HB3 . 17492 1 38 . 1 1 5 5 CYS C C 13 176.122 . . . . . . A 5 CYS C . 17492 1 39 . 1 1 5 5 CYS CA C 13 61.755 . . . . . . A 5 CYS CA . 17492 1 40 . 1 1 5 5 CYS CB C 13 30.673 . . . . . . A 5 CYS CB . 17492 1 41 . 1 1 5 5 CYS N N 15 114.445 . . . . . . A 5 CYS N . 17492 1 42 . 1 1 6 6 VAL H H 1 7.597 . . . . . . A 6 VAL H . 17492 1 43 . 1 1 6 6 VAL HA H 1 3.393 . . . . . . A 6 VAL HA . 17492 1 44 . 1 1 6 6 VAL HB H 1 2.101 . . . . . . A 6 VAL HB . 17492 1 45 . 1 1 6 6 VAL HG11 H 1 0.986 . . . . . . A 6 VAL HG11 . 17492 1 46 . 1 1 6 6 VAL HG12 H 1 0.986 . . . . . . A 6 VAL HG12 . 17492 1 47 . 1 1 6 6 VAL HG13 H 1 0.986 . . . . . . A 6 VAL HG13 . 17492 1 48 . 1 1 6 6 VAL HG21 H 1 0.858 . . . . . . A 6 VAL HG21 . 17492 1 49 . 1 1 6 6 VAL HG22 H 1 0.858 . . . . . . A 6 VAL HG22 . 17492 1 50 . 1 1 6 6 VAL HG23 H 1 0.858 . . . . . . A 6 VAL HG23 . 17492 1 51 . 1 1 6 6 VAL C C 13 176.856 . . . . . . A 6 VAL C . 17492 1 52 . 1 1 6 6 VAL CA C 13 67.554 . . . . . . A 6 VAL CA . 17492 1 53 . 1 1 6 6 VAL CB C 13 31.619 . . . . . . A 6 VAL CB . 17492 1 54 . 1 1 6 6 VAL CG1 C 13 22.284 . . . . . . A 6 VAL CG1 . 17492 1 55 . 1 1 6 6 VAL CG2 C 13 20.674 . . . . . . A 6 VAL CG2 . 17492 1 56 . 1 1 6 6 VAL N N 15 118.514 . . . . . . A 6 VAL N . 17492 1 57 . 1 1 7 7 ILE H H 1 7.740 . . . . . . A 7 ILE H . 17492 1 58 . 1 1 7 7 ILE HA H 1 3.519 . . . . . . A 7 ILE HA . 17492 1 59 . 1 1 7 7 ILE HB H 1 1.710 . . . . . . A 7 ILE HB . 17492 1 60 . 1 1 7 7 ILE HG12 H 1 1.117 . . . . . . A 7 ILE HG12 . 17492 1 61 . 1 1 7 7 ILE HG13 H 1 1.557 . . . . . . A 7 ILE HG13 . 17492 1 62 . 1 1 7 7 ILE HG21 H 1 0.757 . . . . . . A 7 ILE HG21 . 17492 1 63 . 1 1 7 7 ILE HG22 H 1 0.757 . . . . . . A 7 ILE HG22 . 17492 1 64 . 1 1 7 7 ILE HG23 H 1 0.757 . . . . . . A 7 ILE HG23 . 17492 1 65 . 1 1 7 7 ILE HD11 H 1 0.746 . . . . . . A 7 ILE HD11 . 17492 1 66 . 1 1 7 7 ILE HD12 H 1 0.746 . . . . . . A 7 ILE HD12 . 17492 1 67 . 1 1 7 7 ILE HD13 H 1 0.746 . . . . . . A 7 ILE HD13 . 17492 1 68 . 1 1 7 7 ILE C C 13 177.976 . . . . . . A 7 ILE C . 17492 1 69 . 1 1 7 7 ILE CA C 13 64.432 . . . . . . A 7 ILE CA . 17492 1 70 . 1 1 7 7 ILE CB C 13 37.582 . . . . . . A 7 ILE CB . 17492 1 71 . 1 1 7 7 ILE CG1 C 13 28.743 . . . . . . A 7 ILE CG1 . 17492 1 72 . 1 1 7 7 ILE CG2 C 13 16.610 . . . . . . A 7 ILE CG2 . 17492 1 73 . 1 1 7 7 ILE CD1 C 13 11.894 . . . . . . A 7 ILE CD1 . 17492 1 74 . 1 1 7 7 ILE N N 15 116.838 . . . . . . A 7 ILE N . 17492 1 75 . 1 1 8 8 GLY H H 1 8.017 . . . . . . A 8 GLY H . 17492 1 76 . 1 1 8 8 GLY HA2 H 1 2.785 . . . . . . A 8 GLY HA2 . 17492 1 77 . 1 1 8 8 GLY HA3 H 1 3.221 . . . . . . A 8 GLY HA3 . 17492 1 78 . 1 1 8 8 GLY C C 13 175.817 . . . . . . A 8 GLY C . 17492 1 79 . 1 1 8 8 GLY CA C 13 46.350 . . . . . . A 8 GLY CA . 17492 1 80 . 1 1 8 8 GLY N N 15 106.658 . . . . . . A 8 GLY N . 17492 1 81 . 1 1 9 9 CYS H H 1 8.975 . . . . . . A 9 CYS H . 17492 1 82 . 1 1 9 9 CYS HA H 1 4.033 . . . . . . A 9 CYS HA . 17492 1 83 . 1 1 9 9 CYS HB2 H 1 2.886 . . . . . . A 9 CYS HB2 . 17492 1 84 . 1 1 9 9 CYS HB3 H 1 3.171 . . . . . . A 9 CYS HB3 . 17492 1 85 . 1 1 9 9 CYS C C 13 176.313 . . . . . . A 9 CYS C . 17492 1 86 . 1 1 9 9 CYS CA C 13 61.201 . . . . . . A 9 CYS CA . 17492 1 87 . 1 1 9 9 CYS CB C 13 31.454 . . . . . . A 9 CYS CB . 17492 1 88 . 1 1 9 9 CYS N N 15 120.786 . . . . . . A 9 CYS N . 17492 1 89 . 1 1 10 10 ILE H H 1 8.020 . . . . . . A 10 ILE H . 17492 1 90 . 1 1 10 10 ILE HA H 1 3.471 . . . . . . A 10 ILE HA . 17492 1 91 . 1 1 10 10 ILE HB H 1 1.784 . . . . . . A 10 ILE HB . 17492 1 92 . 1 1 10 10 ILE HG12 H 1 0.959 . . . . . . A 10 ILE HG12 . 17492 1 93 . 1 1 10 10 ILE HG13 H 1 1.796 . . . . . . A 10 ILE HG13 . 17492 1 94 . 1 1 10 10 ILE HG21 H 1 0.751 . . . . . . A 10 ILE HG21 . 17492 1 95 . 1 1 10 10 ILE HG22 H 1 0.751 . . . . . . A 10 ILE HG22 . 17492 1 96 . 1 1 10 10 ILE HG23 H 1 0.751 . . . . . . A 10 ILE HG23 . 17492 1 97 . 1 1 10 10 ILE HD11 H 1 0.726 . . . . . . A 10 ILE HD11 . 17492 1 98 . 1 1 10 10 ILE HD12 H 1 0.726 . . . . . . A 10 ILE HD12 . 17492 1 99 . 1 1 10 10 ILE HD13 H 1 0.726 . . . . . . A 10 ILE HD13 . 17492 1 100 . 1 1 10 10 ILE C C 13 178.037 . . . . . . A 10 ILE C . 17492 1 101 . 1 1 10 10 ILE CA C 13 65.755 . . . . . . A 10 ILE CA . 17492 1 102 . 1 1 10 10 ILE CB C 13 37.744 . . . . . . A 10 ILE CB . 17492 1 103 . 1 1 10 10 ILE CG1 C 13 29.142 . . . . . . A 10 ILE CG1 . 17492 1 104 . 1 1 10 10 ILE CG2 C 13 16.857 . . . . . . A 10 ILE CG2 . 17492 1 105 . 1 1 10 10 ILE CD1 C 13 12.786 . . . . . . A 10 ILE CD1 . 17492 1 106 . 1 1 10 10 ILE N N 15 118.160 . . . . . . A 10 ILE N . 17492 1 107 . 1 1 11 11 GLY H H 1 8.395 . . . . . . A 11 GLY H . 17492 1 108 . 1 1 11 11 GLY HA2 H 1 3.532 . . . . . . A 11 GLY HA2 . 17492 1 109 . 1 1 11 11 GLY HA3 H 1 3.686 . . . . . . A 11 GLY HA3 . 17492 1 110 . 1 1 11 11 GLY C C 13 174.926 . . . . . . A 11 GLY C . 17492 1 111 . 1 1 11 11 GLY CA C 13 47.335 . . . . . . A 11 GLY CA . 17492 1 112 . 1 1 11 11 GLY N N 15 105.493 . . . . . . A 11 GLY N . 17492 1 113 . 1 1 12 12 SER H H 1 7.855 . . . . . . A 12 SER H . 17492 1 114 . 1 1 12 12 SER HA H 1 4.095 . . . . . . A 12 SER HA . 17492 1 115 . 1 1 12 12 SER HB2 H 1 3.847 . . . . . . A 12 SER HB2 . 17492 1 116 . 1 1 12 12 SER HB3 H 1 4.031 . . . . . . A 12 SER HB3 . 17492 1 117 . 1 1 12 12 SER C C 13 177.160 . . . . . . A 12 SER C . 17492 1 118 . 1 1 12 12 SER CA C 13 62.067 . . . . . . A 12 SER CA . 17492 1 119 . 1 1 12 12 SER CB C 13 63.376 . . . . . . A 12 SER CB . 17492 1 120 . 1 1 12 12 SER N N 15 114.764 . . . . . . A 12 SER N . 17492 1 121 . 1 1 13 13 CYS H H 1 8.249 . . . . . . A 13 CYS H . 17492 1 122 . 1 1 13 13 CYS HA H 1 3.635 . . . . . . A 13 CYS HA . 17492 1 123 . 1 1 13 13 CYS HB2 H 1 2.900 . . . . . . A 13 CYS HB2 . 17492 1 124 . 1 1 13 13 CYS HB3 H 1 3.217 . . . . . . A 13 CYS HB3 . 17492 1 125 . 1 1 13 13 CYS C C 13 176.813 . . . . . . A 13 CYS C . 17492 1 126 . 1 1 13 13 CYS CA C 13 61.650 . . . . . . A 13 CYS CA . 17492 1 127 . 1 1 13 13 CYS CB C 13 30.236 . . . . . . A 13 CYS CB . 17492 1 128 . 1 1 13 13 CYS N N 15 119.786 . . . . . . A 13 CYS N . 17492 1 129 . 1 1 14 14 VAL H H 1 8.322 . . . . . . A 14 VAL H . 17492 1 130 . 1 1 14 14 VAL HA H 1 3.552 . . . . . . A 14 VAL HA . 17492 1 131 . 1 1 14 14 VAL HB H 1 2.163 . . . . . . A 14 VAL HB . 17492 1 132 . 1 1 14 14 VAL HG11 H 1 0.977 . . . . . . A 14 VAL HG11 . 17492 1 133 . 1 1 14 14 VAL HG12 H 1 0.977 . . . . . . A 14 VAL HG12 . 17492 1 134 . 1 1 14 14 VAL HG13 H 1 0.977 . . . . . . A 14 VAL HG13 . 17492 1 135 . 1 1 14 14 VAL HG21 H 1 0.865 . . . . . . A 14 VAL HG21 . 17492 1 136 . 1 1 14 14 VAL HG22 H 1 0.865 . . . . . . A 14 VAL HG22 . 17492 1 137 . 1 1 14 14 VAL HG23 H 1 0.865 . . . . . . A 14 VAL HG23 . 17492 1 138 . 1 1 14 14 VAL C C 13 178.098 . . . . . . A 14 VAL C . 17492 1 139 . 1 1 14 14 VAL CA C 13 66.446 . . . . . . A 14 VAL CA . 17492 1 140 . 1 1 14 14 VAL CB C 13 31.598 . . . . . . A 14 VAL CB . 17492 1 141 . 1 1 14 14 VAL CG1 C 13 22.345 . . . . . . A 14 VAL CG1 . 17492 1 142 . 1 1 14 14 VAL CG2 C 13 20.751 . . . . . . A 14 VAL CG2 . 17492 1 143 . 1 1 14 14 VAL N N 15 118.225 . . . . . . A 14 VAL N . 17492 1 144 . 1 1 15 15 ILE H H 1 7.874 . . . . . . A 15 ILE H . 17492 1 145 . 1 1 15 15 ILE HA H 1 3.892 . . . . . . A 15 ILE HA . 17492 1 146 . 1 1 15 15 ILE HB H 1 1.942 . . . . . . A 15 ILE HB . 17492 1 147 . 1 1 15 15 ILE HG12 H 1 1.317 . . . . . . A 15 ILE HG12 . 17492 1 148 . 1 1 15 15 ILE HG13 H 1 1.586 . . . . . . A 15 ILE HG13 . 17492 1 149 . 1 1 15 15 ILE HG21 H 1 0.909 . . . . . . A 15 ILE HG21 . 17492 1 150 . 1 1 15 15 ILE HG22 H 1 0.909 . . . . . . A 15 ILE HG22 . 17492 1 151 . 1 1 15 15 ILE HG23 H 1 0.909 . . . . . . A 15 ILE HG23 . 17492 1 152 . 1 1 15 15 ILE HD11 H 1 0.802 . . . . . . A 15 ILE HD11 . 17492 1 153 . 1 1 15 15 ILE HD12 H 1 0.802 . . . . . . A 15 ILE HD12 . 17492 1 154 . 1 1 15 15 ILE HD13 H 1 0.802 . . . . . . A 15 ILE HD13 . 17492 1 155 . 1 1 15 15 ILE C C 13 175.465 . . . . . . A 15 ILE C . 17492 1 156 . 1 1 15 15 ILE CA C 13 58.298 . . . . . . A 15 ILE CA . 17492 1 157 . 1 1 15 15 ILE CB C 13 37.812 . . . . . . A 15 ILE CB . 17492 1 158 . 1 1 15 15 ILE CG1 C 13 28.262 . . . . . . A 15 ILE CG1 . 17492 1 159 . 1 1 15 15 ILE CG2 C 13 16.912 . . . . . . A 15 ILE CG2 . 17492 1 160 . 1 1 15 15 ILE CD1 C 13 12.730 . . . . . . A 15 ILE CD1 . 17492 1 161 . 1 1 15 15 ILE N N 15 116.977 . . . . . . A 15 ILE N . 17492 1 162 . 1 1 16 16 SER H H 1 7.257 . . . . . . A 16 SER H . 17492 1 163 . 1 1 16 16 SER HA H 1 4.513 . . . . . . A 16 SER HA . 17492 1 164 . 1 1 16 16 SER HB2 H 1 3.653 . . . . . . A 16 SER HB2 . 17492 1 165 . 1 1 16 16 SER HB3 H 1 4.089 . . . . . . A 16 SER HB3 . 17492 1 166 . 1 1 16 16 SER C C 13 174.052 . . . . . . A 16 SER C . 17492 1 167 . 1 1 16 16 SER CA C 13 56.969 . . . . . . A 16 SER CA . 17492 1 168 . 1 1 16 16 SER CB C 13 62.914 . . . . . . A 16 SER CB . 17492 1 169 . 1 1 16 16 SER N N 15 110.893 . . . . . . A 16 SER N . 17492 1 170 . 1 1 17 17 GLU H H 1 8.040 . . . . . . A 17 GLU H . 17492 1 171 . 1 1 17 17 GLU HA H 1 3.915 . . . . . . A 17 GLU HA . 17492 1 172 . 1 1 17 17 GLU HB2 H 1 2.264 . . . . . . A 17 GLU HB2 . 17492 1 173 . 1 1 17 17 GLU HB3 H 1 2.349 . . . . . . A 17 GLU HB3 . 17492 1 174 . 1 1 17 17 GLU HG2 H 1 2.383 . . . . . . A 17 GLU HG2 . 17492 1 175 . 1 1 17 17 GLU HG3 H 1 2.383 . . . . . . A 17 GLU HG3 . 17492 1 176 . 1 1 17 17 GLU C C 13 175.077 . . . . . . A 17 GLU C . 17492 1 177 . 1 1 17 17 GLU CA C 13 56.943 . . . . . . A 17 GLU CA . 17492 1 178 . 1 1 17 17 GLU CB C 13 26.027 . . . . . . A 17 GLU CB . 17492 1 179 . 1 1 17 17 GLU CG C 13 32.661 . . . . . . A 17 GLU CG . 17492 1 180 . 1 1 17 17 GLU N N 15 115.690 . . . . . . A 17 GLU N . 17492 1 181 . 1 1 18 18 GLY H H 1 8.455 . . . . . . A 18 GLY H . 17492 1 182 . 1 1 18 18 GLY HA2 H 1 3.450 . . . . . . A 18 GLY HA2 . 17492 1 183 . 1 1 18 18 GLY HA3 H 1 4.231 . . . . . . A 18 GLY HA3 . 17492 1 184 . 1 1 18 18 GLY C C 13 175.415 . . . . . . A 18 GLY C . 17492 1 185 . 1 1 18 18 GLY CA C 13 45.617 . . . . . . A 18 GLY CA . 17492 1 186 . 1 1 18 18 GLY N N 15 104.500 . . . . . . A 18 GLY N . 17492 1 187 . 1 1 19 19 ILE H H 1 7.795 . . . . . . A 19 ILE H . 17492 1 188 . 1 1 19 19 ILE HA H 1 3.871 . . . . . . A 19 ILE HA . 17492 1 189 . 1 1 19 19 ILE HB H 1 1.955 . . . . . . A 19 ILE HB . 17492 1 190 . 1 1 19 19 ILE HG12 H 1 1.213 . . . . . . A 19 ILE HG12 . 17492 1 191 . 1 1 19 19 ILE HG13 H 1 1.574 . . . . . . A 19 ILE HG13 . 17492 1 192 . 1 1 19 19 ILE HG21 H 1 0.893 . . . . . . A 19 ILE HG21 . 17492 1 193 . 1 1 19 19 ILE HG22 H 1 0.893 . . . . . . A 19 ILE HG22 . 17492 1 194 . 1 1 19 19 ILE HG23 H 1 0.893 . . . . . . A 19 ILE HG23 . 17492 1 195 . 1 1 19 19 ILE HD11 H 1 0.870 . . . . . . A 19 ILE HD11 . 17492 1 196 . 1 1 19 19 ILE HD12 H 1 0.870 . . . . . . A 19 ILE HD12 . 17492 1 197 . 1 1 19 19 ILE HD13 H 1 0.870 . . . . . . A 19 ILE HD13 . 17492 1 198 . 1 1 19 19 ILE C C 13 177.201 . . . . . . A 19 ILE C . 17492 1 199 . 1 1 19 19 ILE CA C 13 63.176 . . . . . . A 19 ILE CA . 17492 1 200 . 1 1 19 19 ILE CB C 13 37.915 . . . . . . A 19 ILE CB . 17492 1 201 . 1 1 19 19 ILE CG1 C 13 28.229 . . . . . . A 19 ILE CG1 . 17492 1 202 . 1 1 19 19 ILE CD1 C 13 12.233 . . . . . . A 19 ILE CD1 . 17492 1 203 . 1 1 19 19 ILE N N 15 120.600 . . . . . . A 19 ILE N . 17492 1 204 . 1 1 20 20 GLY H H 1 8.254 . . . . . . A 20 GLY H . 17492 1 205 . 1 1 20 20 GLY HA2 H 1 3.715 . . . . . . A 20 GLY HA2 . 17492 1 206 . 1 1 20 20 GLY HA3 H 1 4.044 . . . . . . A 20 GLY HA3 . 17492 1 207 . 1 1 20 20 GLY C C 13 173.127 . . . . . . A 20 GLY C . 17492 1 208 . 1 1 20 20 GLY CA C 13 45.710 . . . . . . A 20 GLY CA . 17492 1 209 . 1 1 20 20 GLY N N 15 105.004 . . . . . . A 20 GLY N . 17492 1 210 . 1 1 21 21 SER H H 1 8.070 . . . . . . A 21 SER H . 17492 1 211 . 1 1 21 21 SER HB2 H 1 3.731 . . . . . . A 21 SER HB2 . 17492 1 212 . 1 1 21 21 SER HB3 H 1 3.990 . . . . . . A 21 SER HB3 . 17492 1 213 . 1 1 21 21 SER C C 13 173.525 . . . . . . A 21 SER C . 17492 1 214 . 1 1 21 21 SER CA C 13 73.678 . . . . . . A 21 SER CA . 17492 1 215 . 1 1 21 21 SER CB C 13 67.634 . . . . . . A 21 SER CB . 17492 1 216 . 1 1 21 21 SER N N 15 121.086 . . . . . . A 21 SER N . 17492 1 217 . 1 1 22 22 LEU H H 1 7.820 . . . . . . A 22 LEU H . 17492 1 218 . 1 1 22 22 LEU HA H 1 4.012 . . . . . . A 22 LEU HA . 17492 1 219 . 1 1 22 22 LEU HB2 H 1 1.552 . . . . . . A 22 LEU HB2 . 17492 1 220 . 1 1 22 22 LEU HB3 H 1 1.692 . . . . . . A 22 LEU HB3 . 17492 1 221 . 1 1 22 22 LEU HG H 1 1.641 . . . . . . A 22 LEU HG . 17492 1 222 . 1 1 22 22 LEU HD11 H 1 0.890 . . . . . . A 22 LEU HD11 . 17492 1 223 . 1 1 22 22 LEU HD12 H 1 0.890 . . . . . . A 22 LEU HD12 . 17492 1 224 . 1 1 22 22 LEU HD13 H 1 0.890 . . . . . . A 22 LEU HD13 . 17492 1 225 . 1 1 22 22 LEU HD21 H 1 0.821 . . . . . . A 22 LEU HD21 . 17492 1 226 . 1 1 22 22 LEU HD22 H 1 0.821 . . . . . . A 22 LEU HD22 . 17492 1 227 . 1 1 22 22 LEU HD23 H 1 0.821 . . . . . . A 22 LEU HD23 . 17492 1 228 . 1 1 22 22 LEU C C 13 177.778 . . . . . . A 22 LEU C . 17492 1 229 . 1 1 22 22 LEU CA C 13 58.698 . . . . . . A 22 LEU CA . 17492 1 230 . 1 1 22 22 LEU CB C 13 41.824 . . . . . . A 22 LEU CB . 17492 1 231 . 1 1 22 22 LEU CG C 13 27.035 . . . . . . A 22 LEU CG . 17492 1 232 . 1 1 22 22 LEU CD1 C 13 24.082 . . . . . . A 22 LEU CD1 . 17492 1 233 . 1 1 22 22 LEU CD2 C 13 23.125 . . . . . . A 22 LEU CD2 . 17492 1 234 . 1 1 22 22 LEU N N 15 117.247 . . . . . . A 22 LEU N . 17492 1 235 . 1 1 23 23 VAL H H 1 7.378 . . . . . . A 23 VAL H . 17492 1 236 . 1 1 23 23 VAL HA H 1 4.020 . . . . . . A 23 VAL HA . 17492 1 237 . 1 1 23 23 VAL HB H 1 2.097 . . . . . . A 23 VAL HB . 17492 1 238 . 1 1 23 23 VAL HG11 H 1 0.906 . . . . . . A 23 VAL HG11 . 17492 1 239 . 1 1 23 23 VAL HG12 H 1 0.906 . . . . . . A 23 VAL HG12 . 17492 1 240 . 1 1 23 23 VAL HG13 H 1 0.906 . . . . . . A 23 VAL HG13 . 17492 1 241 . 1 1 23 23 VAL HG21 H 1 0.869 . . . . . . A 23 VAL HG21 . 17492 1 242 . 1 1 23 23 VAL HG22 H 1 0.869 . . . . . . A 23 VAL HG22 . 17492 1 243 . 1 1 23 23 VAL HG23 H 1 0.869 . . . . . . A 23 VAL HG23 . 17492 1 244 . 1 1 23 23 VAL C C 13 177.567 . . . . . . A 23 VAL C . 17492 1 245 . 1 1 23 23 VAL CA C 13 63.098 . . . . . . A 23 VAL CA . 17492 1 246 . 1 1 23 23 VAL CB C 13 32.262 . . . . . . A 23 VAL CB . 17492 1 247 . 1 1 23 23 VAL CG1 C 13 20.609 . . . . . . A 23 VAL CG1 . 17492 1 248 . 1 1 23 23 VAL CG2 C 13 20.775 . . . . . . A 23 VAL CG2 . 17492 1 249 . 1 1 23 23 VAL N N 15 112.582 . . . . . . A 23 VAL N . 17492 1 250 . 1 1 24 24 GLY H H 1 8.649 . . . . . . A 24 GLY H . 17492 1 251 . 1 1 24 24 GLY HA2 H 1 3.746 . . . . . . A 24 GLY HA2 . 17492 1 252 . 1 1 24 24 GLY HA3 H 1 4.308 . . . . . . A 24 GLY HA3 . 17492 1 253 . 1 1 24 24 GLY C C 13 174.734 . . . . . . A 24 GLY C . 17492 1 254 . 1 1 24 24 GLY CA C 13 48.756 . . . . . . A 24 GLY CA . 17492 1 255 . 1 1 24 24 GLY N N 15 110.171 . . . . . . A 24 GLY N . 17492 1 256 . 1 1 25 25 THR H H 1 7.496 . . . . . . A 25 THR H . 17492 1 257 . 1 1 25 25 THR HB H 1 4.051 . . . . . . A 25 THR HB . 17492 1 258 . 1 1 25 25 THR HG21 H 1 1.362 . . . . . . A 25 THR HG21 . 17492 1 259 . 1 1 25 25 THR HG22 H 1 1.362 . . . . . . A 25 THR HG22 . 17492 1 260 . 1 1 25 25 THR HG23 H 1 1.362 . . . . . . A 25 THR HG23 . 17492 1 261 . 1 1 25 25 THR CB C 13 76.912 . . . . . . A 25 THR CB . 17492 1 262 . 1 1 25 25 THR CG2 C 13 18.000 . . . . . . A 25 THR CG2 . 17492 1 263 . 1 1 25 25 THR N N 15 110.492 . . . . . . A 25 THR N . 17492 1 264 . 1 1 26 26 ALA H H 1 8.015 . . . . . . A 26 ALA H . 17492 1 265 . 1 1 26 26 ALA HA H 1 4.053 . . . . . . A 26 ALA HA . 17492 1 266 . 1 1 26 26 ALA HB1 H 1 1.431 . . . . . . A 26 ALA HB1 . 17492 1 267 . 1 1 26 26 ALA HB2 H 1 1.431 . . . . . . A 26 ALA HB2 . 17492 1 268 . 1 1 26 26 ALA HB3 H 1 1.431 . . . . . . A 26 ALA HB3 . 17492 1 269 . 1 1 26 26 ALA C C 13 177.455 . . . . . . A 26 ALA C . 17492 1 270 . 1 1 26 26 ALA CA C 13 55.632 . . . . . . A 26 ALA CA . 17492 1 271 . 1 1 26 26 ALA CB C 13 17.406 . . . . . . A 26 ALA CB . 17492 1 272 . 1 1 26 26 ALA N N 15 106.632 . . . . . . A 26 ALA N . 17492 1 273 . 1 1 27 27 PHE H H 1 8.387 . . . . . . A 27 PHE H . 17492 1 274 . 1 1 27 27 PHE HA H 1 4.104 . . . . . . A 27 PHE HA . 17492 1 275 . 1 1 27 27 PHE HB2 H 1 3.196 . . . . . . A 27 PHE HB2 . 17492 1 276 . 1 1 27 27 PHE HB3 H 1 3.196 . . . . . . A 27 PHE HB3 . 17492 1 277 . 1 1 27 27 PHE C C 13 175.370 . . . . . . A 27 PHE C . 17492 1 278 . 1 1 27 27 PHE CA C 13 62.779 . . . . . . A 27 PHE CA . 17492 1 279 . 1 1 27 27 PHE CB C 13 39.313 . . . . . . A 27 PHE CB . 17492 1 280 . 1 1 27 27 PHE N N 15 116.548 . . . . . . A 27 PHE N . 17492 1 281 . 1 1 28 28 DTH C C 13 172.171 . . . . . . A 28 DTH C . 17492 1 282 . 1 1 28 28 DTH CB C 13 76.889 . . . . . . A 28 DTH CB . 17492 1 283 . 1 1 28 28 DTH CG2 C 13 20.030 . . . . . . A 28 DTH CG2 . 17492 1 284 . 1 1 28 28 DTH H H 1 8.244 . . . . . . A 28 DTH H . 17492 1 285 . 1 1 28 28 DTH HB H 1 4.114 . . . . . . A 28 DTH HB . 17492 1 286 . 1 1 28 28 DTH HG21 H 1 1.193 . . . . . . . 28 DTH HG2 . 17492 1 287 . 1 1 28 28 DTH HG22 H 1 1.193 . . . . . . . 28 DTH HG2 . 17492 1 288 . 1 1 28 28 DTH HG23 H 1 1.193 . . . . . . . 28 DTH HG2 . 17492 1 289 . 1 1 28 28 DTH N N 15 119.761 . . . . . . A 28 DTH N . 17492 1 290 . 1 1 29 29 LEU H H 1 7.888 . . . . . . A 29 LEU H . 17492 1 291 . 1 1 29 29 LEU HA H 1 4.040 . . . . . . A 29 LEU HA . 17492 1 292 . 1 1 29 29 LEU HB2 H 1 1.557 . . . . . . A 29 LEU HB2 . 17492 1 293 . 1 1 29 29 LEU HB3 H 1 1.747 . . . . . . A 29 LEU HB3 . 17492 1 294 . 1 1 29 29 LEU HG H 1 1.594 . . . . . . A 29 LEU HG . 17492 1 295 . 1 1 29 29 LEU HD11 H 1 0.861 . . . . . . A 29 LEU HD11 . 17492 1 296 . 1 1 29 29 LEU HD12 H 1 0.861 . . . . . . A 29 LEU HD12 . 17492 1 297 . 1 1 29 29 LEU HD13 H 1 0.861 . . . . . . A 29 LEU HD13 . 17492 1 298 . 1 1 29 29 LEU HD21 H 1 0.763 . . . . . . A 29 LEU HD21 . 17492 1 299 . 1 1 29 29 LEU HD22 H 1 0.763 . . . . . . A 29 LEU HD22 . 17492 1 300 . 1 1 29 29 LEU HD23 H 1 0.763 . . . . . . A 29 LEU HD23 . 17492 1 301 . 1 1 29 29 LEU C C 13 176.145 . . . . . . A 29 LEU C . 17492 1 302 . 1 1 29 29 LEU CA C 13 55.876 . . . . . . A 29 LEU CA . 17492 1 303 . 1 1 29 29 LEU CB C 13 42.020 . . . . . . A 29 LEU CB . 17492 1 304 . 1 1 29 29 LEU CG C 13 27.244 . . . . . . A 29 LEU CG . 17492 1 305 . 1 1 29 29 LEU CD1 C 13 24.630 . . . . . . A 29 LEU CD1 . 17492 1 306 . 1 1 29 29 LEU CD2 C 13 21.856 . . . . . . A 29 LEU CD2 . 17492 1 307 . 1 1 29 29 LEU N N 15 115.787 . . . . . . A 29 LEU N . 17492 1 308 . 1 1 30 30 GLY H H 1 7.640 . . . . . . A 30 GLY H . 17492 1 309 . 1 1 30 30 GLY HA2 H 1 3.596 . . . . . . A 30 GLY HA2 . 17492 1 310 . 1 1 30 30 GLY HA3 H 1 3.937 . . . . . . A 30 GLY HA3 . 17492 1 311 . 1 1 30 30 GLY CA C 13 42.998 . . . . . . A 30 GLY CA . 17492 1 312 . 1 1 30 30 GLY N N 15 105.576 . . . . . . A 30 GLY N . 17492 1 stop_ save_