################################### # 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 19716 _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 '3D CBCA(CO)NH' . . . 19716 1 2 '3D HCCH-TOCSY' . . . 19716 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 LYS H H 1 8.4442 0.0000 . 1 . 2642 . A 1 LYS H . 19716 1 2 . 1 1 1 1 LYS HA H 1 4.3287 0.0000 . 1 . . . A 1 LYS HA . 19716 1 3 . 1 1 1 1 LYS HB2 H 1 1.7139 0.0000 . 2 . . . A 1 LYS HB2 . 19716 1 4 . 1 1 1 1 LYS HB3 H 1 1.3657 0.0000 . 2 . . . A 1 LYS HB3 . 19716 1 5 . 1 1 1 1 LYS HG2 H 1 1.4075 0.0000 . 2 . . . A 1 LYS HG2 . 19716 1 6 . 1 1 1 1 LYS HG3 H 1 1.4099 0.0000 . 2 . . . A 1 LYS HG3 . 19716 1 7 . 1 1 1 1 LYS HD2 H 1 1.7170 0.0000 . 2 . . . A 1 LYS HD2 . 19716 1 8 . 1 1 1 1 LYS HE2 H 1 2.9744 0.0000 . 2 . . . A 1 LYS HE2 . 19716 1 9 . 1 1 1 1 LYS CA C 13 28.3826 0.0000 . 1 . 2186 . A 1 LYS CA . 19716 1 10 . 1 1 1 1 LYS CB C 13 33.6298 0.0000 . 1 . 2210 . A 1 LYS CB . 19716 1 11 . 1 1 1 1 LYS CG C 13 24.7879 0.0000 . 1 . . . A 1 LYS CG . 19716 1 12 . 1 1 1 1 LYS N N 15 123.3586 0.0000 . 1 . 2643 . A 1 LYS N . 19716 1 13 . 1 1 2 2 ILE H H 1 8.2268 0.0000 . 1 . 2640 . A 2 ILE H . 19716 1 14 . 1 1 2 2 ILE HA H 1 4.0656 0.0000 . 1 . . . A 2 ILE HA . 19716 1 15 . 1 1 2 2 ILE HB H 1 1.7357 0.0000 . 1 . . . A 2 ILE HB . 19716 1 16 . 1 1 2 2 ILE HG12 H 1 1.4111 0.0000 . 2 . . . A 2 ILE HG12 . 19716 1 17 . 1 1 2 2 ILE HG13 H 1 1.1247 0.0000 . 2 . . . A 2 ILE HG13 . 19716 1 18 . 1 1 2 2 ILE HG21 H 1 0.7862 0.0000 . 1 . . . A 2 ILE HG21 . 19716 1 19 . 1 1 2 2 ILE HG22 H 1 0.7862 0.0000 . 1 . . . A 2 ILE HG22 . 19716 1 20 . 1 1 2 2 ILE HG23 H 1 0.7862 0.0000 . 1 . . . A 2 ILE HG23 . 19716 1 21 . 1 1 2 2 ILE HD11 H 1 0.7895 0.0000 . 1 . . . A 2 ILE HD11 . 19716 1 22 . 1 1 2 2 ILE HD12 H 1 0.7895 0.0000 . 1 . . . A 2 ILE HD12 . 19716 1 23 . 1 1 2 2 ILE HD13 H 1 0.7895 0.0000 . 1 . . . A 2 ILE HD13 . 19716 1 24 . 1 1 2 2 ILE CA C 13 33.2123 0.0000 . 1 . 2183 . A 2 ILE CA . 19716 1 25 . 1 1 2 2 ILE CB C 13 38.8006 0.0000 . 1 . 2195 . A 2 ILE CB . 19716 1 26 . 1 1 2 2 ILE CG1 C 13 27.3936 0.0000 . 1 . . . A 2 ILE CG1 . 19716 1 27 . 1 1 2 2 ILE CG2 C 13 45.2705 0.0000 . 1 . . . A 2 ILE CG2 . 19716 1 28 . 1 1 2 2 ILE CD1 C 13 40.6225 0.0000 . 1 . . . A 2 ILE CD1 . 19716 1 29 . 1 1 2 2 ILE N N 15 123.6061 0.0000 . 1 . 2641 . A 2 ILE N . 19716 1 30 . 1 1 3 3 VAL H H 1 8.0721 0.0000 . 1 . 2648 . A 3 VAL H . 19716 1 31 . 1 1 3 3 VAL HA H 1 3.8382 0.0000 . 1 . . . A 3 VAL HA . 19716 1 32 . 1 1 3 3 VAL HB H 1 1.7207 0.0000 . 1 . . . A 3 VAL HB . 19716 1 33 . 1 1 3 3 VAL HG11 H 1 0.6047 0.0000 . 2 . . . A 3 VAL HG11 . 19716 1 34 . 1 1 3 3 VAL HG12 H 1 0.6047 0.0000 . 2 . . . A 3 VAL HG12 . 19716 1 35 . 1 1 3 3 VAL HG13 H 1 0.6047 0.0000 . 2 . . . A 3 VAL HG13 . 19716 1 36 . 1 1 3 3 VAL HG21 H 1 0.3995 0.0000 . 2 . . . A 3 VAL HG21 . 19716 1 37 . 1 1 3 3 VAL HG22 H 1 0.3995 0.0000 . 2 . . . A 3 VAL HG22 . 19716 1 38 . 1 1 3 3 VAL HG23 H 1 0.3995 0.0000 . 2 . . . A 3 VAL HG23 . 19716 1 39 . 1 1 3 3 VAL CA C 13 33.8377 0.0000 . 1 . 2138 . A 3 VAL CA . 19716 1 40 . 1 1 3 3 VAL CB C 13 32.7389 0.0000 . 1 . 2153 . A 3 VAL CB . 19716 1 41 . 1 1 3 3 VAL CG1 C 13 48.2281 0.0000 . 2 . . . A 3 VAL CG1 . 19716 1 42 . 1 1 3 3 VAL CG2 C 13 48.4400 0.0000 . 2 . . . A 3 VAL CG2 . 19716 1 43 . 1 1 3 3 VAL N N 15 125.8212 0.0000 . 1 . 2649 . A 3 VAL N . 19716 1 44 . 1 1 4 4 SER H H 1 7.8217 0.0000 . 1 . 2668 . A 4 SER H . 19716 1 45 . 1 1 4 4 SER HA H 1 4.5187 0.0000 . 1 . . . A 4 SER HA . 19716 1 46 . 1 1 4 4 SER HB2 H 1 3.4886 0.0000 . 2 . . . A 4 SER HB2 . 19716 1 47 . 1 1 4 4 SER HB3 H 1 3.5311 0.0000 . 2 . . . A 4 SER HB3 . 19716 1 48 . 1 1 4 4 SER CA C 13 29.1086 0.0000 . 1 . 2312 . A 4 SER CA . 19716 1 49 . 1 1 4 4 SER CB C 13 36.5225 0.0000 . 1 . 2291 . A 4 SER CB . 19716 1 50 . 1 1 4 4 SER N N 15 119.0844 0.0000 . 1 . 2669 . A 4 SER N . 19716 1 51 . 1 1 5 5 CYS H H 1 8.5850 0.0000 . 1 . 2460 . A 5 CYS H . 19716 1 52 . 1 1 5 5 CYS HA H 1 4.3146 0.0000 . 1 . . . A 5 CYS HA . 19716 1 53 . 1 1 5 5 CYS HB2 H 1 2.6554 0.0000 . 2 . . . A 5 CYS HB2 . 19716 1 54 . 1 1 5 5 CYS HB3 H 1 2.5078 0.0000 . 2 . . . A 5 CYS HB3 . 19716 1 55 . 1 1 5 5 CYS CA C 13 31.8584 0.0000 . 1 . 2129 . A 5 CYS CA . 19716 1 56 . 1 1 5 5 CYS CB C 13 30.0267 0.0000 . 1 . 2135 . A 5 CYS CB . 19716 1 57 . 1 1 5 5 CYS N N 15 129.0813 0.0000 . 1 . 2461 . A 5 CYS N . 19716 1 58 . 1 1 6 6 ARG H H 1 9.1196 0.0000 . 1 . 2634 . A 6 ARG H . 19716 1 59 . 1 1 6 6 ARG HA H 1 4.1363 0.0000 . 1 . . . A 6 ARG HA . 19716 1 60 . 1 1 6 6 ARG HB2 H 1 1.9838 0.0000 . 2 . . . A 6 ARG HB2 . 19716 1 61 . 1 1 6 6 ARG HB3 H 1 1.8029 0.0000 . 2 . . . A 6 ARG HB3 . 19716 1 62 . 1 1 6 6 ARG HG2 H 1 1.8622 0.0000 . 2 . . . A 6 ARG HG2 . 19716 1 63 . 1 1 6 6 ARG HG3 H 1 1.7915 0.0000 . 2 . . . A 6 ARG HG3 . 19716 1 64 . 1 1 6 6 ARG HD2 H 1 3.3071 0.0000 . 2 . . . A 6 ARG HD2 . 19716 1 65 . 1 1 6 6 ARG CA C 13 30.6710 0.0000 . 1 . 2120 . A 6 ARG CA . 19716 1 66 . 1 1 6 6 ARG CB C 13 30.8072 0.0000 . 1 . 2123 . A 6 ARG CB . 19716 1 67 . 1 1 6 6 ARG CG C 13 27.7988 0.0000 . 1 . . . A 6 ARG CG . 19716 1 68 . 1 1 6 6 ARG CD C 13 43.2067 0.0000 . 1 . . . A 6 ARG CD . 19716 1 69 . 1 1 6 6 ARG N N 15 130.2553 0.0000 . 1 . 2635 . A 6 ARG N . 19716 1 70 . 1 1 7 7 ILE H H 1 9.6730 0.0000 . 1 . 2493 . A 7 ILE H . 19716 1 71 . 1 1 7 7 ILE HA H 1 3.9613 0.0000 . 1 . . . A 7 ILE HA . 19716 1 72 . 1 1 7 7 ILE HB H 1 2.5400 0.0000 . 1 . . . A 7 ILE HB . 19716 1 73 . 1 1 7 7 ILE HG12 H 1 1.6548 0.0000 . 2 . . . A 7 ILE HG12 . 19716 1 74 . 1 1 7 7 ILE HG13 H 1 1.0607 0.0000 . 2 . . . A 7 ILE HG13 . 19716 1 75 . 1 1 7 7 ILE HG21 H 1 0.9509 0.0000 . 1 . . . A 7 ILE HG21 . 19716 1 76 . 1 1 7 7 ILE HG22 H 1 0.9509 0.0000 . 1 . . . A 7 ILE HG22 . 19716 1 77 . 1 1 7 7 ILE HG23 H 1 0.9509 0.0000 . 1 . . . A 7 ILE HG23 . 19716 1 78 . 1 1 7 7 ILE HD11 H 1 0.8283 0.0000 . 1 . . . A 7 ILE HD11 . 19716 1 79 . 1 1 7 7 ILE HD12 H 1 0.8283 0.0000 . 1 . . . A 7 ILE HD12 . 19716 1 80 . 1 1 7 7 ILE HD13 H 1 0.8283 0.0000 . 1 . . . A 7 ILE HD13 . 19716 1 81 . 1 1 7 7 ILE CA C 13 36.4094 0.0000 . 1 . 2168 . A 7 ILE CA . 19716 1 82 . 1 1 7 7 ILE CB C 13 38.2941 0.0000 . 1 . 2201 . A 7 ILE CB . 19716 1 83 . 1 1 7 7 ILE CG1 C 13 28.5500 0.0000 . 1 . . . A 7 ILE CG1 . 19716 1 84 . 1 1 7 7 ILE CG2 C 13 41.5301 0.0000 . 1 . . . A 7 ILE CG2 . 19716 1 85 . 1 1 7 7 ILE CD1 C 13 46.0053 0.0000 . 1 . . . A 7 ILE CD1 . 19716 1 86 . 1 1 7 7 ILE N N 15 123.3842 0.0000 . 1 . 2494 . A 7 ILE N . 19716 1 87 . 1 1 8 8 CYS H H 1 8.7845 0.0000 . 1 . 2553 . A 8 CYS H . 19716 1 88 . 1 1 8 8 CYS HA H 1 4.9843 0.0000 . 1 . . . A 8 CYS HA . 19716 1 89 . 1 1 8 8 CYS HB2 H 1 3.2810 0.0000 . 2 . . . A 8 CYS HB2 . 19716 1 90 . 1 1 8 8 CYS HB3 H 1 2.5335 0.0000 . 2 . . . A 8 CYS HB3 . 19716 1 91 . 1 1 8 8 CYS CA C 13 30.6688 0.0000 . 1 . 2294 . A 8 CYS CA . 19716 1 92 . 1 1 8 8 CYS CB C 13 33.1698 0.0000 . 1 . 2321 . A 8 CYS CB . 19716 1 93 . 1 1 8 8 CYS N N 15 118.6018 0.0000 . 1 . 2554 . A 8 CYS N . 19716 1 94 . 1 1 9 9 LYS H H 1 7.7784 0.0000 . 1 . 2577 . A 9 LYS H . 19716 1 95 . 1 1 9 9 LYS HA H 1 4.3125 0.0000 . 1 . . . A 9 LYS HA . 19716 1 96 . 1 1 9 9 LYS HB2 H 1 2.2010 0.0000 . 2 . . . A 9 LYS HB2 . 19716 1 97 . 1 1 9 9 LYS HB3 H 1 2.0314 0.0000 . 2 . . . A 9 LYS HB3 . 19716 1 98 . 1 1 9 9 LYS HG2 H 1 1.3331 0.0000 . 2 . . . A 9 LYS HG2 . 19716 1 99 . 1 1 9 9 LYS HD2 H 1 1.6564 0.0000 . 2 . . . A 9 LYS HD2 . 19716 1 100 . 1 1 9 9 LYS HE2 H 1 2.9324 0.0000 . 2 . . . A 9 LYS HE2 . 19716 1 101 . 1 1 9 9 LYS CA C 13 30.6809 0.0000 . 1 . 2339 . A 9 LYS CA . 19716 1 102 . 1 1 9 9 LYS CB C 13 29.3794 0.0000 . 1 . 2348 . A 9 LYS CB . 19716 1 103 . 1 1 9 9 LYS CG C 13 25.4130 0.0000 . 1 . . . A 9 LYS CG . 19716 1 104 . 1 1 9 9 LYS CE C 13 42.1216 0.0000 . 1 . . . A 9 LYS CE . 19716 1 105 . 1 1 9 9 LYS N N 15 117.4516 0.0000 . 1 . 2578 . A 9 LYS N . 19716 1 106 . 1 1 10 10 GLY H H 1 9.1402 0.0000 . 1 . 2601 . A 10 GLY H . 19716 1 107 . 1 1 10 10 GLY HA2 H 1 4.1969 0.0000 . 2 . . . A 10 GLY HA2 . 19716 1 108 . 1 1 10 10 GLY HA3 H 1 3.4808 0.0000 . 2 . . . A 10 GLY HA3 . 19716 1 109 . 1 1 10 10 GLY CA C 13 43.3535 0.0000 . 1 . 2366 . A 10 GLY CA . 19716 1 110 . 1 1 10 10 GLY N N 15 112.3053 0.0000 . 1 . 2602 . A 10 GLY N . 19716 1 111 . 1 1 11 11 ASP H H 1 8.3725 0.0000 . 1 . 2662 . A 11 ASP H . 19716 1 112 . 1 1 11 11 ASP HA H 1 4.7223 0.0000 . 1 . . . A 11 ASP HA . 19716 1 113 . 1 1 11 11 ASP HB2 H 1 2.6150 0.0000 . 2 . . . A 11 ASP HB2 . 19716 1 114 . 1 1 11 11 ASP HB3 H 1 2.5392 0.0000 . 2 . . . A 11 ASP HB3 . 19716 1 115 . 1 1 11 11 ASP CA C 13 24.8368 0.0000 . 1 . 2249 . A 11 ASP CA . 19716 1 116 . 1 1 11 11 ASP CB C 13 39.0106 0.0000 . 1 . 2264 . A 11 ASP CB . 19716 1 117 . 1 1 11 11 ASP N N 15 119.7177 0.0000 . 1 . 2663 . A 11 ASP N . 19716 1 118 . 1 1 12 12 HIS H H 1 7.2605 0.0000 . 1 . 2589 . A 12 HIS H . 19716 1 119 . 1 1 12 12 HIS HA H 1 4.5615 0.0000 . 1 . . . A 12 HIS HA . 19716 1 120 . 1 1 12 12 HIS HB2 H 1 3.3357 0.0000 . 2 . . . A 12 HIS HB2 . 19716 1 121 . 1 1 12 12 HIS HB3 H 1 3.0419 0.0000 . 2 . . . A 12 HIS HB3 . 19716 1 122 . 1 1 12 12 HIS HD2 H 1 6.8239 0.0000 . 1 . . . A 12 HIS HD2 . 19716 1 123 . 1 1 12 12 HIS HE1 H 1 7.8345 0.0000 . 1 . . . A 12 HIS HE1 . 19716 1 124 . 1 1 12 12 HIS CA C 13 25.9907 0.0000 . 1 . 2351 . A 12 HIS CA . 19716 1 125 . 1 1 12 12 HIS CB C 13 30.4906 0.0000 . 1 . 2354 . A 12 HIS CB . 19716 1 126 . 1 1 12 12 HIS CD2 C 13 44.3704 0.0000 . 1 . . . A 12 HIS CD2 . 19716 1 127 . 1 1 12 12 HIS CE1 C 13 25.6125 0.0000 . 1 . . . A 12 HIS CE1 . 19716 1 128 . 1 1 12 12 HIS N N 15 115.2904 0.0000 . 1 . 2590 . A 12 HIS N . 19716 1 129 . 1 1 13 13 TRP H H 1 8.3573 0.0000 . 1 . 2672 . A 13 TRP H . 19716 1 130 . 1 1 13 13 TRP HA H 1 4.7520 0.0000 . 1 . . . A 13 TRP HA . 19716 1 131 . 1 1 13 13 TRP HB2 H 1 3.5339 0.0000 . 2 . . . A 13 TRP HB2 . 19716 1 132 . 1 1 13 13 TRP HB3 H 1 2.9385 0.0000 . 2 . . . A 13 TRP HB3 . 19716 1 133 . 1 1 13 13 TRP HD1 H 1 7.3275 0.0000 . 1 . . . A 13 TRP HD1 . 19716 1 134 . 1 1 13 13 TRP HE1 H 1 10.2300 0.0000 . 1 . . . A 13 TRP HE1 . 19716 1 135 . 1 1 13 13 TRP HE3 H 1 7.7223 0.0000 . 1 . . . A 13 TRP HE3 . 19716 1 136 . 1 1 13 13 TRP HZ2 H 1 7.5097 0.0000 . 1 . . . A 13 TRP HZ2 . 19716 1 137 . 1 1 13 13 TRP HZ3 H 1 7.1990 0.0000 . 1 . . . A 13 TRP HZ3 . 19716 1 138 . 1 1 13 13 TRP HH2 H 1 7.2583 0.0000 . 1 . . . A 13 TRP HH2 . 19716 1 139 . 1 1 13 13 TRP CA C 13 28.7436 0.0000 . 1 . 2306 . A 13 TRP CA . 19716 1 140 . 1 1 13 13 TRP CB C 13 30.1384 0.0000 . 1 . 2441 . A 13 TRP CB . 19716 1 141 . 1 1 13 13 TRP CD1 C 13 42.0288 0.0000 . 1 . . . A 13 TRP CD1 . 19716 1 142 . 1 1 13 13 TRP CE3 C 13 36.8314 0.0000 . 1 . . . A 13 TRP CE3 . 19716 1 143 . 1 1 13 13 TRP CZ2 C 13 30.7281 0.0000 . 1 . . . A 13 TRP CZ2 . 19716 1 144 . 1 1 13 13 TRP CZ3 C 13 38.0334 0.0000 . 1 . . . A 13 TRP CZ3 . 19716 1 145 . 1 1 13 13 TRP CH2 C 13 40.9008 0.0000 . 1 . . . A 13 TRP CH2 . 19716 1 146 . 1 1 13 13 TRP N N 15 117.6668 0.0000 . 1 . 2673 . A 13 TRP N . 19716 1 147 . 1 1 13 13 TRP NE1 N 15 128.8700 0.0000 . 1 . . . A 13 TRP NE1 . 19716 1 148 . 1 1 14 14 THR H H 1 8.6933 0.0000 . 1 . . . A 14 THR H . 19716 1 149 . 1 1 14 14 THR HA H 1 5.3294 0.0000 . 1 . . . A 14 THR HA . 19716 1 150 . 1 1 14 14 THR HB H 1 4.3159 0.0000 . 1 . . . A 14 THR HB . 19716 1 151 . 1 1 14 14 THR HG21 H 1 1.4834 0.0000 . 1 . . . A 14 THR HG21 . 19716 1 152 . 1 1 14 14 THR HG22 H 1 1.4834 0.0000 . 1 . . . A 14 THR HG22 . 19716 1 153 . 1 1 14 14 THR HG23 H 1 1.4834 0.0000 . 1 . . . A 14 THR HG23 . 19716 1 154 . 1 1 14 14 THR CA C 13 37.9867 0.0000 . 1 . 2627 . A 14 THR CA . 19716 1 155 . 1 1 14 14 THR CB C 13 42.0043 0.0000 . 1 . 2624 . A 14 THR CB . 19716 1 156 . 1 1 14 14 THR CG2 C 13 50.8598 0.0000 . 1 . . . A 14 THR CG2 . 19716 1 157 . 1 1 14 14 THR N N 15 120.6353 0.0000 . 1 . . . A 14 THR N . 19716 1 158 . 1 1 15 15 THR H H 1 7.7374 0.0000 . 1 . 2688 . A 15 THR H . 19716 1 159 . 1 1 15 15 THR HA H 1 4.0971 0.0000 . 1 . . . A 15 THR HA . 19716 1 160 . 1 1 15 15 THR HB H 1 4.3190 0.0000 . 1 . . . A 15 THR HB . 19716 1 161 . 1 1 15 15 THR HG21 H 1 1.3322 0.0000 . 1 . . . A 15 THR HG21 . 19716 1 162 . 1 1 15 15 THR HG22 H 1 1.3322 0.0000 . 1 . . . A 15 THR HG22 . 19716 1 163 . 1 1 15 15 THR HG23 H 1 1.3322 0.0000 . 1 . . . A 15 THR HG23 . 19716 1 164 . 1 1 15 15 THR CA C 13 35.6174 0.0000 . 1 . 2426 . A 15 THR CA . 19716 1 165 . 1 1 15 15 THR CB C 13 40.8783 0.0000 . 1 . 2402 . A 15 THR CB . 19716 1 166 . 1 1 15 15 THR CG2 C 13 50.7432 0.0000 . 1 . . . A 15 THR CG2 . 19716 1 167 . 1 1 15 15 THR N N 15 108.0645 0.0000 . 1 . 2689 . A 15 THR N . 19716 1 168 . 1 1 16 16 ARG H H 1 7.9764 0.0000 . 1 . 2529 . A 16 ARG H . 19716 1 169 . 1 1 16 16 ARG HA H 1 4.5362 0.0000 . 1 . . . A 16 ARG HA . 19716 1 170 . 1 1 16 16 ARG HB2 H 1 2.1192 0.0000 . 2 . . . A 16 ARG HB2 . 19716 1 171 . 1 1 16 16 ARG HB3 H 1 1.7100 0.0000 . 2 . . . A 16 ARG HB3 . 19716 1 172 . 1 1 16 16 ARG HG2 H 1 1.7287 0.0000 . 2 . . . A 16 ARG HG2 . 19716 1 173 . 1 1 16 16 ARG HG3 H 1 1.6117 0.0000 . 2 . . . A 16 ARG HG3 . 19716 1 174 . 1 1 16 16 ARG HD2 H 1 3.1764 0.0000 . 2 . . . A 16 ARG HD2 . 19716 1 175 . 1 1 16 16 ARG CA C 13 26.0313 0.0000 . 1 . 2255 . A 16 ARG CA . 19716 1 176 . 1 1 16 16 ARG CB C 13 30.3245 0.0000 . 1 . 2282 . A 16 ARG CB . 19716 1 177 . 1 1 16 16 ARG CG C 13 27.0679 0.0000 . 1 . . . A 16 ARG CG . 19716 1 178 . 1 1 16 16 ARG CD C 13 43.0218 0.0000 . 1 . . . A 16 ARG CD . 19716 1 179 . 1 1 16 16 ARG N N 15 119.9565 0.0000 . 1 . 2530 . A 16 ARG N . 19716 1 180 . 1 1 17 17 CYS H H 1 7.5451 0.0000 . 1 . 2472 . A 17 CYS H . 19716 1 181 . 1 1 17 17 CYS HA H 1 4.0156 0.0000 . 1 . . . A 17 CYS HA . 19716 1 182 . 1 1 17 17 CYS HB2 H 1 3.6892 0.0000 . 2 . . . A 17 CYS HB2 . 19716 1 183 . 1 1 17 17 CYS HB3 H 1 2.8408 0.0000 . 2 . . . A 17 CYS HB3 . 19716 1 184 . 1 1 17 17 CYS CA C 13 30.8889 0.0000 . 1 . 2144 . A 17 CYS CA . 19716 1 185 . 1 1 17 17 CYS CB C 13 31.9158 0.0000 . 1 . 2706 . A 17 CYS CB . 19716 1 186 . 1 1 17 17 CYS N N 15 125.7286 0.0000 . 1 . 2473 . A 17 CYS N . 19716 1 187 . 1 1 18 18 PRO HA H 1 4.3165 0.0000 . 1 . . . A 18 PRO HA . 19716 1 188 . 1 1 18 18 PRO HB2 H 1 1.9967 0.0000 . 2 . . . A 18 PRO HB2 . 19716 1 189 . 1 1 18 18 PRO HB3 H 1 1.1741 0.0000 . 2 . . . A 18 PRO HB3 . 19716 1 190 . 1 1 18 18 PRO HG2 H 1 1.6054 0.0000 . 2 . . . A 18 PRO HG2 . 19716 1 191 . 1 1 18 18 PRO HG3 H 1 1.2315 0.0000 . 2 . . . A 18 PRO HG3 . 19716 1 192 . 1 1 18 18 PRO HD2 H 1 3.6570 0.0000 . 2 . . . A 18 PRO HD2 . 19716 1 193 . 1 1 18 18 PRO HD3 H 1 3.0029 0.0000 . 2 . . . A 18 PRO HD3 . 19716 1 194 . 1 1 18 18 PRO CA C 13 35.8773 0.0000 . 1 . 2525 . A 18 PRO CA . 19716 1 195 . 1 1 18 18 PRO CB C 13 31.8078 0.0000 . 1 . 2705 . A 18 PRO CB . 19716 1 196 . 1 1 18 18 PRO CG C 13 26.1890 0.0000 . 1 . . . A 18 PRO CG . 19716 1 197 . 1 1 18 18 PRO CD C 13 50.9125 0.0000 . 1 . . . A 18 PRO CD . 19716 1 198 . 1 1 19 19 TYR H H 1 9.2793 0.0000 . 1 . 2547 . A 19 TYR H . 19716 1 199 . 1 1 19 19 TYR HA H 1 4.7522 0.0000 . 1 . . . A 19 TYR HA . 19716 1 200 . 1 1 19 19 TYR HB2 H 1 3.3328 0.0000 . 2 . . . A 19 TYR HB2 . 19716 1 201 . 1 1 19 19 TYR HB3 H 1 2.9276 0.0000 . 2 . . . A 19 TYR HB3 . 19716 1 202 . 1 1 19 19 TYR HD2 H 1 7.1880 0.0000 . 3 . . . A 19 TYR HD2 . 19716 1 203 . 1 1 19 19 TYR HE2 H 1 6.9019 0.0000 . 3 . . . A 19 TYR HE2 . 19716 1 204 . 1 1 19 19 TYR CA C 13 28.8963 0.0000 . 1 . 2219 . A 19 TYR CA . 19716 1 205 . 1 1 19 19 TYR CB C 13 37.7830 0.0000 . 1 . 2270 . A 19 TYR CB . 19716 1 206 . 1 1 19 19 TYR CD2 C 13 49.2004 0.0000 . 2 . . . A 19 TYR CD2 . 19716 1 207 . 1 1 19 19 TYR CE2 C 13 34.1221 0.0000 . 2 . . . A 19 TYR CE2 . 19716 1 208 . 1 1 19 19 TYR N N 15 120.9965 0.0000 . 1 . 2548 . A 19 TYR N . 19716 1 209 . 1 1 20 20 LYS H H 1 7.4792 0.0000 . 1 . 2544 . A 20 LYS H . 19716 1 210 . 1 1 20 20 LYS HA H 1 4.0972 0.0000 . 1 . . . A 20 LYS HA . 19716 1 211 . 1 1 20 20 LYS HB2 H 1 1.8674 0.0000 . 2 . . . A 20 LYS HB2 . 19716 1 212 . 1 1 20 20 LYS HG2 H 1 1.4384 0.0000 . 2 . . . A 20 LYS HG2 . 19716 1 213 . 1 1 20 20 LYS HD2 H 1 1.6899 0.0000 . 2 . . . A 20 LYS HD2 . 19716 1 214 . 1 1 20 20 LYS HE2 H 1 3.0115 0.0000 . 2 . . . A 20 LYS HE2 . 19716 1 215 . 1 1 20 20 LYS CA C 13 30.6971 0.0000 . 1 . 2240 . A 20 LYS CA . 19716 1 216 . 1 1 20 20 LYS CG C 13 52.0289 0.0000 . 1 . . . A 20 LYS CG . 19716 1 217 . 1 1 20 20 LYS N N 15 120.5321 0.0000 . 1 . 2545 . A 20 LYS N . 19716 1 218 . 1 1 21 21 ASP H H 1 8.5411 0.0000 . 1 . 2664 . A 21 ASP H . 19716 1 219 . 1 1 21 21 ASP HA H 1 4.7042 0.0000 . 1 . . . A 21 ASP HA . 19716 1 220 . 1 1 21 21 ASP HB2 H 1 2.7842 0.0000 . 2 . . . A 21 ASP HB2 . 19716 1 221 . 1 1 21 21 ASP HB3 H 1 2.6347 0.0000 . 2 . . . A 21 ASP HB3 . 19716 1 222 . 1 1 21 21 ASP CA C 13 26.9945 0.0000 . 1 . 2303 . A 21 ASP CA . 19716 1 223 . 1 1 21 21 ASP CB C 13 40.9318 0.0000 . 1 . 2315 . A 21 ASP CB . 19716 1 224 . 1 1 21 21 ASP N N 15 118.9432 0.0000 . 1 . 2665 . A 21 ASP N . 19716 1 225 . 1 1 22 22 THR H H 1 7.8413 0.0000 . 1 . 2595 . A 22 THR H . 19716 1 226 . 1 1 22 22 THR HA H 1 4.3805 0.0000 . 1 . . . A 22 THR HA . 19716 1 227 . 1 1 22 22 THR HB H 1 4.2843 0.0000 . 1 . . . A 22 THR HB . 19716 1 228 . 1 1 22 22 THR HG21 H 1 1.2365 0.0000 . 1 . . . A 22 THR HG21 . 19716 1 229 . 1 1 22 22 THR HG22 H 1 1.2365 0.0000 . 1 . . . A 22 THR HG22 . 19716 1 230 . 1 1 22 22 THR HG23 H 1 1.2365 0.0000 . 1 . . . A 22 THR HG23 . 19716 1 231 . 1 1 22 22 THR CA C 13 34.4430 0.0000 . 1 . 2360 . A 22 THR CA . 19716 1 232 . 1 1 22 22 THR CB C 13 41.9199 0.0000 . 1 . 2357 . A 22 THR CB . 19716 1 233 . 1 1 22 22 THR CG2 C 13 49.7785 0.0000 . 1 . . . A 22 THR CG2 . 19716 1 234 . 1 1 22 22 THR N N 15 112.3965 0.0000 . 1 . 2596 . A 22 THR N . 19716 1 235 . 1 1 23 23 LEU H H 1 8.1699 0.0000 . 1 . 2644 . A 23 LEU H . 19716 1 236 . 1 1 23 23 LEU HA H 1 4.4252 0.0000 . 1 . . . A 23 LEU HA . 19716 1 237 . 1 1 23 23 LEU HB2 H 1 1.6543 0.0000 . 2 . . . A 23 LEU HB2 . 19716 1 238 . 1 1 23 23 LEU HG H 1 1.6551 0.0000 . 1 . . . A 23 LEU HG . 19716 1 239 . 1 1 23 23 LEU HD11 H 1 0.8576 0.0000 . 2 . . . A 23 LEU HD11 . 19716 1 240 . 1 1 23 23 LEU HD12 H 1 0.8576 0.0000 . 2 . . . A 23 LEU HD12 . 19716 1 241 . 1 1 23 23 LEU HD13 H 1 0.8576 0.0000 . 2 . . . A 23 LEU HD13 . 19716 1 242 . 1 1 23 23 LEU HD21 H 1 0.8561 0.0000 . 2 . . . A 23 LEU HD21 . 19716 1 243 . 1 1 23 23 LEU HD22 H 1 0.8561 0.0000 . 2 . . . A 23 LEU HD22 . 19716 1 244 . 1 1 23 23 LEU HD23 H 1 0.8561 0.0000 . 2 . . . A 23 LEU HD23 . 19716 1 245 . 1 1 23 23 LEU CA C 13 27.0941 0.0000 . 1 . 2192 . A 23 LEU CA . 19716 1 246 . 1 1 23 23 LEU CB C 13 42.5382 0.0000 . 1 . 2198 . A 23 LEU CB . 19716 1 247 . 1 1 23 23 LEU CG C 13 27.0551 0.0000 . 1 . . . A 23 LEU CG . 19716 1 248 . 1 1 23 23 LEU CD1 C 13 25.0616 0.0000 . 2 . . . A 23 LEU CD1 . 19716 1 249 . 1 1 23 23 LEU CD2 C 13 51.1998 0.0000 . 2 . . . A 23 LEU CD2 . 19716 1 250 . 1 1 23 23 LEU N N 15 123.0899 0.0000 . 1 . 2645 . A 23 LEU N . 19716 1 251 . 1 1 24 24 GLY H H 1 8.0586 0.0000 . 1 . 2686 . A 24 GLY H . 19716 1 252 . 1 1 24 24 GLY HA2 H 1 4.0522 0.0000 . 2 . . . A 24 GLY HA2 . 19716 1 253 . 1 1 24 24 GLY CA C 13 44.6383 0.0000 . 1 . 2390 . A 24 GLY CA . 19716 1 254 . 1 1 24 24 GLY N N 15 108.9635 0.0000 . 1 . 2687 . A 24 GLY N . 19716 1 stop_ save_