################################### # 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 25872 _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 HNCO' . . . 25872 1 4 '3D HNCA' . . . 25872 1 7 '3D 1H-15N NOESY' . . . 25872 1 8 '3D 1H-13C NOESY' . . . 25872 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 LYS H H 1 8.483 0.000 . . . . . A 2 LYS H . 25872 1 2 . 1 1 2 2 LYS N N 15 123.102 0.000 . . . . . A 2 LYS N . 25872 1 3 . 1 1 3 3 LYS H H 1 8.609 0.000 . . . . . A 3 LYS H . 25872 1 4 . 1 1 3 3 LYS HA H 1 4.364 0.000 . . . . . A 3 LYS HA . 25872 1 5 . 1 1 3 3 LYS HB2 H 1 1.931 0.000 . . . . . A 3 LYS HB2 . 25872 1 6 . 1 1 3 3 LYS HB3 H 1 1.859 0.000 . . . . . A 3 LYS HB3 . 25872 1 7 . 1 1 3 3 LYS HG2 H 1 1.524 0.000 . . . . . A 3 LYS HG2 . 25872 1 8 . 1 1 3 3 LYS HG3 H 1 1.524 0.000 . . . . . A 3 LYS HG3 . 25872 1 9 . 1 1 3 3 LYS HD2 H 1 1.797 0.000 . . . . . A 3 LYS HD2 . 25872 1 10 . 1 1 3 3 LYS HD3 H 1 1.797 0.000 . . . . . A 3 LYS HD3 . 25872 1 11 . 1 1 3 3 LYS HE2 H 1 3.113 0.000 . . . . . A 3 LYS HE2 . 25872 1 12 . 1 1 3 3 LYS HE3 H 1 3.113 0.000 . . . . . A 3 LYS HE3 . 25872 1 13 . 1 1 3 3 LYS C C 13 173.506 0.000 . . . . . A 3 LYS C . 25872 1 14 . 1 1 3 3 LYS CA C 13 54.569 0.000 . . . . . A 3 LYS CA . 25872 1 15 . 1 1 3 3 LYS CB C 13 30.685 0.000 . . . . . A 3 LYS CB . 25872 1 16 . 1 1 3 3 LYS CG C 13 22.168 0.000 . . . . . A 3 LYS CG . 25872 1 17 . 1 1 3 3 LYS CD C 13 26.732 0.000 . . . . . A 3 LYS CD . 25872 1 18 . 1 1 3 3 LYS CE C 13 39.765 0.000 . . . . . A 3 LYS CE . 25872 1 19 . 1 1 3 3 LYS N N 15 123.206 0.000 . . . . . A 3 LYS N . 25872 1 20 . 1 1 4 4 ASP H H 1 8.420 0.000 . . . . . A 4 ASP H . 25872 1 21 . 1 1 4 4 ASP HA H 1 4.706 0.000 . . . . . A 4 ASP HA . 25872 1 22 . 1 1 4 4 ASP HB2 H 1 2.737 0.000 . . . . . A 4 ASP HB2 . 25872 1 23 . 1 1 4 4 ASP HB3 H 1 2.797 0.000 . . . . . A 4 ASP HB3 . 25872 1 24 . 1 1 4 4 ASP C C 13 173.339 0.000 . . . . . A 4 ASP C . 25872 1 25 . 1 1 4 4 ASP CA C 13 52.055 0.000 . . . . . A 4 ASP CA . 25872 1 26 . 1 1 4 4 ASP CB C 13 38.662 0.000 . . . . . A 4 ASP CB . 25872 1 27 . 1 1 4 4 ASP N N 15 120.271 0.000 . . . . . A 4 ASP N . 25872 1 28 . 1 1 5 5 GLU H H 1 8.177 0.000 . . . . . A 5 GLU H . 25872 1 29 . 1 1 5 5 GLU HA H 1 4.516 0.000 . . . . . A 5 GLU HA . 25872 1 30 . 1 1 5 5 GLU HB2 H 1 2.016 0.000 . . . . . A 5 GLU HB2 . 25872 1 31 . 1 1 5 5 GLU HB3 H 1 2.182 0.000 . . . . . A 5 GLU HB3 . 25872 1 32 . 1 1 5 5 GLU HG2 H 1 2.335 0.000 . . . . . A 5 GLU HG2 . 25872 1 33 . 1 1 5 5 GLU HG3 H 1 2.335 0.000 . . . . . A 5 GLU HG3 . 25872 1 34 . 1 1 5 5 GLU C C 13 173.506 0.000 . . . . . A 5 GLU C . 25872 1 35 . 1 1 5 5 GLU CA C 13 53.808 0.000 . . . . . A 5 GLU CA . 25872 1 36 . 1 1 5 5 GLU CB C 13 28.434 0.000 . . . . . A 5 GLU CB . 25872 1 37 . 1 1 5 5 GLU CG C 13 33.948 0.000 . . . . . A 5 GLU CG . 25872 1 38 . 1 1 5 5 GLU N N 15 120.404 0.000 . . . . . A 5 GLU N . 25872 1 39 . 1 1 6 6 THR H H 1 8.314 0.000 . . . . . A 6 THR H . 25872 1 40 . 1 1 6 6 THR HA H 1 4.649 0.000 . . . . . A 6 THR HA . 25872 1 41 . 1 1 6 6 THR HB H 1 4.217 0.000 . . . . . A 6 THR HB . 25872 1 42 . 1 1 6 6 THR HG21 H 1 1.332 0.000 . . . . . A 6 THR HG21 . 25872 1 43 . 1 1 6 6 THR HG22 H 1 1.332 0.000 . . . . . A 6 THR HG22 . 25872 1 44 . 1 1 6 6 THR HG23 H 1 1.332 0.000 . . . . . A 6 THR HG23 . 25872 1 45 . 1 1 6 6 THR C C 13 170.644 0.000 . . . . . A 6 THR C . 25872 1 46 . 1 1 6 6 THR CA C 13 57.823 0.000 . . . . . A 6 THR CA . 25872 1 47 . 1 1 6 6 THR CB C 13 67.184 0.000 . . . . . A 6 THR CB . 25872 1 48 . 1 1 6 6 THR CG2 C 13 19.299 0.000 . . . . . A 6 THR CG2 . 25872 1 49 . 1 1 6 6 THR N N 15 117.433 0.000 . . . . . A 6 THR N . 25872 1 50 . 1 1 7 7 PRO HA H 1 4.569 0.000 . . . . . A 7 PRO HA . 25872 1 51 . 1 1 7 7 PRO HB2 H 1 1.895 0.000 . . . . . A 7 PRO HB2 . 25872 1 52 . 1 1 7 7 PRO HB3 H 1 2.404 0.000 . . . . . A 7 PRO HB3 . 25872 1 53 . 1 1 7 7 PRO HG2 H 1 2.103 0.000 . . . . . A 7 PRO HG2 . 25872 1 54 . 1 1 7 7 PRO HG3 H 1 1.988 0.000 . . . . . A 7 PRO HG3 . 25872 1 55 . 1 1 7 7 PRO HD2 H 1 3.704 0.000 . . . . . A 7 PRO HD2 . 25872 1 56 . 1 1 7 7 PRO HD3 H 1 3.998 0.000 . . . . . A 7 PRO HD3 . 25872 1 57 . 1 1 7 7 PRO C C 13 173.983 0.000 . . . . . A 7 PRO C . 25872 1 58 . 1 1 7 7 PRO CA C 13 60.843 0.000 . . . . . A 7 PRO CA . 25872 1 59 . 1 1 7 7 PRO CB C 13 29.556 0.000 . . . . . A 7 PRO CB . 25872 1 60 . 1 1 7 7 PRO CG C 13 24.915 0.000 . . . . . A 7 PRO CG . 25872 1 61 . 1 1 7 7 PRO CD C 13 48.580 0.000 . . . . . A 7 PRO CD . 25872 1 62 . 1 1 8 8 PHE H H 1 8.381 0.000 . . . . . A 8 PHE H . 25872 1 63 . 1 1 8 8 PHE HA H 1 4.612 0.000 . . . . . A 8 PHE HA . 25872 1 64 . 1 1 8 8 PHE HB2 H 1 3.277 0.000 . . . . . A 8 PHE HB2 . 25872 1 65 . 1 1 8 8 PHE HB3 H 1 3.277 0.000 . . . . . A 8 PHE HB3 . 25872 1 66 . 1 1 8 8 PHE HD1 H 1 7.377 0.000 . . . . . A 8 PHE HD1 . 25872 1 67 . 1 1 8 8 PHE HD2 H 1 7.377 0.000 . . . . . A 8 PHE HD2 . 25872 1 68 . 1 1 8 8 PHE HE1 H 1 7.359 0.000 . . . . . A 8 PHE HE1 . 25872 1 69 . 1 1 8 8 PHE HE2 H 1 7.359 0.000 . . . . . A 8 PHE HE2 . 25872 1 70 . 1 1 8 8 PHE HZ H 1 7.270 0.000 . . . . . A 8 PHE HZ . 25872 1 71 . 1 1 8 8 PHE C C 13 173.291 0.000 . . . . . A 8 PHE C . 25872 1 72 . 1 1 8 8 PHE CA C 13 56.320 0.000 . . . . . A 8 PHE CA . 25872 1 73 . 1 1 8 8 PHE CB C 13 37.156 0.000 . . . . . A 8 PHE CB . 25872 1 74 . 1 1 8 8 PHE CZ C 13 129.006 0.000 . . . . . A 8 PHE CZ . 25872 1 75 . 1 1 8 8 PHE N N 15 119.597 0.000 . . . . . A 8 PHE N . 25872 1 76 . 1 1 9 9 GLY H H 1 8.557 0.000 . . . . . A 9 GLY H . 25872 1 77 . 1 1 9 9 GLY HA2 H 1 4.041 0.000 . . . . . A 9 GLY HA2 . 25872 1 78 . 1 1 9 9 GLY HA3 H 1 3.967 0.000 . . . . . A 9 GLY HA3 . 25872 1 79 . 1 1 9 9 GLY C C 13 171.741 0.000 . . . . . A 9 GLY C . 25872 1 80 . 1 1 9 9 GLY CA C 13 43.719 0.000 . . . . . A 9 GLY CA . 25872 1 81 . 1 1 9 9 GLY N N 15 107.586 0.000 . . . . . A 9 GLY N . 25872 1 82 . 1 1 10 10 VAL H H 1 7.970 0.000 . . . . . A 10 VAL H . 25872 1 83 . 1 1 10 10 VAL HA H 1 3.984 0.000 . . . . . A 10 VAL HA . 25872 1 84 . 1 1 10 10 VAL HB H 1 2.262 0.000 . . . . . A 10 VAL HB . 25872 1 85 . 1 1 10 10 VAL HG11 H 1 1.059 0.000 . . . . . A 10 VAL HG11 . 25872 1 86 . 1 1 10 10 VAL HG12 H 1 1.059 0.000 . . . . . A 10 VAL HG12 . 25872 1 87 . 1 1 10 10 VAL HG13 H 1 1.059 0.000 . . . . . A 10 VAL HG13 . 25872 1 88 . 1 1 10 10 VAL HG21 H 1 1.140 0.000 . . . . . A 10 VAL HG21 . 25872 1 89 . 1 1 10 10 VAL HG22 H 1 1.140 0.000 . . . . . A 10 VAL HG22 . 25872 1 90 . 1 1 10 10 VAL HG23 H 1 1.140 0.000 . . . . . A 10 VAL HG23 . 25872 1 91 . 1 1 10 10 VAL C C 13 173.124 0.000 . . . . . A 10 VAL C . 25872 1 92 . 1 1 10 10 VAL CA C 13 62.233 0.000 . . . . . A 10 VAL CA . 25872 1 93 . 1 1 10 10 VAL CB C 13 30.351 0.000 . . . . . A 10 VAL CB . 25872 1 94 . 1 1 10 10 VAL CG1 C 13 19.049 0.000 . . . . . A 10 VAL CG1 . 25872 1 95 . 1 1 10 10 VAL CG2 C 13 19.633 0.000 . . . . . A 10 VAL CG2 . 25872 1 96 . 1 1 10 10 VAL N N 15 118.248 0.000 . . . . . A 10 VAL N . 25872 1 97 . 1 1 11 11 SER H H 1 8.180 0.000 . . . . . A 11 SER H . 25872 1 98 . 1 1 11 11 SER HA H 1 4.339 0.000 . . . . . A 11 SER HA . 25872 1 99 . 1 1 11 11 SER HB2 H 1 4.184 0.000 . . . . . A 11 SER HB2 . 25872 1 100 . 1 1 11 11 SER HB3 H 1 3.963 0.000 . . . . . A 11 SER HB3 . 25872 1 101 . 1 1 11 11 SER C C 13 172.929 0.000 . . . . . A 11 SER C . 25872 1 102 . 1 1 11 11 SER CA C 13 58.493 0.000 . . . . . A 11 SER CA . 25872 1 103 . 1 1 11 11 SER CB C 13 60.928 0.000 . . . . . A 11 SER CB . 25872 1 104 . 1 1 11 11 SER N N 15 116.602 0.000 . . . . . A 11 SER N . 25872 1 105 . 1 1 12 12 VAL H H 1 8.356 0.000 . . . . . A 12 VAL H . 25872 1 106 . 1 1 12 12 VAL HA H 1 3.728 0.000 . . . . . A 12 VAL HA . 25872 1 107 . 1 1 12 12 VAL HB H 1 2.187 0.000 . . . . . A 12 VAL HB . 25872 1 108 . 1 1 12 12 VAL HG11 H 1 0.944 0.000 . . . . . A 12 VAL HG11 . 25872 1 109 . 1 1 12 12 VAL HG12 H 1 0.944 0.000 . . . . . A 12 VAL HG12 . 25872 1 110 . 1 1 12 12 VAL HG13 H 1 0.944 0.000 . . . . . A 12 VAL HG13 . 25872 1 111 . 1 1 12 12 VAL HG21 H 1 1.020 0.000 . . . . . A 12 VAL HG21 . 25872 1 112 . 1 1 12 12 VAL HG22 H 1 1.020 0.000 . . . . . A 12 VAL HG22 . 25872 1 113 . 1 1 12 12 VAL HG23 H 1 1.020 0.000 . . . . . A 12 VAL HG23 . 25872 1 114 . 1 1 12 12 VAL C C 13 174.197 0.000 . . . . . A 12 VAL C . 25872 1 115 . 1 1 12 12 VAL CA C 13 63.881 0.000 . . . . . A 12 VAL CA . 25872 1 116 . 1 1 12 12 VAL CB C 13 29.115 0.000 . . . . . A 12 VAL CB . 25872 1 117 . 1 1 12 12 VAL CG1 C 13 19.027 0.000 . . . . . A 12 VAL CG1 . 25872 1 118 . 1 1 12 12 VAL CG2 C 13 20.748 0.000 . . . . . A 12 VAL CG2 . 25872 1 119 . 1 1 12 12 VAL N N 15 121.016 0.000 . . . . . A 12 VAL N . 25872 1 120 . 1 1 13 13 ALA H H 1 8.162 0.000 . . . . . A 13 ALA H . 25872 1 121 . 1 1 13 13 ALA HA H 1 4.066 0.000 . . . . . A 13 ALA HA . 25872 1 122 . 1 1 13 13 ALA HB1 H 1 1.603 0.000 . . . . . A 13 ALA HB1 . 25872 1 123 . 1 1 13 13 ALA HB2 H 1 1.603 0.000 . . . . . A 13 ALA HB2 . 25872 1 124 . 1 1 13 13 ALA HB3 H 1 1.603 0.000 . . . . . A 13 ALA HB3 . 25872 1 125 . 1 1 13 13 ALA C C 13 176.105 0.000 . . . . . A 13 ALA C . 25872 1 126 . 1 1 13 13 ALA CA C 13 53.461 0.000 . . . . . A 13 ALA CA . 25872 1 127 . 1 1 13 13 ALA CB C 13 16.246 0.000 . . . . . A 13 ALA CB . 25872 1 128 . 1 1 13 13 ALA N N 15 121.087 0.000 . . . . . A 13 ALA N . 25872 1 129 . 1 1 14 14 VAL H H 1 8.175 0.000 . . . . . A 14 VAL H . 25872 1 130 . 1 1 14 14 VAL HA H 1 3.669 0.000 . . . . . A 14 VAL HA . 25872 1 131 . 1 1 14 14 VAL HB H 1 2.271 0.000 . . . . . A 14 VAL HB . 25872 1 132 . 1 1 14 14 VAL HG11 H 1 1.030 0.000 . . . . . A 14 VAL HG11 . 25872 1 133 . 1 1 14 14 VAL HG12 H 1 1.030 0.000 . . . . . A 14 VAL HG12 . 25872 1 134 . 1 1 14 14 VAL HG13 H 1 1.030 0.000 . . . . . A 14 VAL HG13 . 25872 1 135 . 1 1 14 14 VAL HG21 H 1 1.177 0.000 . . . . . A 14 VAL HG21 . 25872 1 136 . 1 1 14 14 VAL HG22 H 1 1.177 0.000 . . . . . A 14 VAL HG22 . 25872 1 137 . 1 1 14 14 VAL HG23 H 1 1.177 0.000 . . . . . A 14 VAL HG23 . 25872 1 138 . 1 1 14 14 VAL C C 13 175.247 0.000 . . . . . A 14 VAL C . 25872 1 139 . 1 1 14 14 VAL CA C 13 64.315 0.000 . . . . . A 14 VAL CA . 25872 1 140 . 1 1 14 14 VAL CB C 13 29.199 0.000 . . . . . A 14 VAL CB . 25872 1 141 . 1 1 14 14 VAL CG1 C 13 19.272 0.000 . . . . . A 14 VAL CG1 . 25872 1 142 . 1 1 14 14 VAL CG2 C 13 21.183 0.000 . . . . . A 14 VAL CG2 . 25872 1 143 . 1 1 14 14 VAL N N 15 115.686 0.000 . . . . . A 14 VAL N . 25872 1 144 . 1 1 15 15 GLY H H 1 8.465 0.000 . . . . . A 15 GLY H . 25872 1 145 . 1 1 15 15 GLY HA2 H 1 3.695 0.000 . . . . . A 15 GLY HA2 . 25872 1 146 . 1 1 15 15 GLY HA3 H 1 3.695 0.000 . . . . . A 15 GLY HA3 . 25872 1 147 . 1 1 15 15 GLY C C 13 172.266 0.000 . . . . . A 15 GLY C . 25872 1 148 . 1 1 15 15 GLY CA C 13 45.494 0.000 . . . . . A 15 GLY CA . 25872 1 149 . 1 1 15 15 GLY N N 15 106.431 0.000 . . . . . A 15 GLY N . 25872 1 150 . 1 1 16 16 LEU H H 1 8.764 0.000 . . . . . A 16 LEU H . 25872 1 151 . 1 1 16 16 LEU HA H 1 4.222 0.000 . . . . . A 16 LEU HA . 25872 1 152 . 1 1 16 16 LEU HB2 H 1 2.028 0.000 . . . . . A 16 LEU HB2 . 25872 1 153 . 1 1 16 16 LEU HB3 H 1 1.619 0.000 . . . . . A 16 LEU HB3 . 25872 1 154 . 1 1 16 16 LEU HG H 1 1.955 0.000 . . . . . A 16 LEU HG . 25872 1 155 . 1 1 16 16 LEU HD11 H 1 0.957 0.000 . . . . . A 16 LEU HD11 . 25872 1 156 . 1 1 16 16 LEU HD12 H 1 0.957 0.000 . . . . . A 16 LEU HD12 . 25872 1 157 . 1 1 16 16 LEU HD13 H 1 0.957 0.000 . . . . . A 16 LEU HD13 . 25872 1 158 . 1 1 16 16 LEU HD21 H 1 0.895 0.000 . . . . . A 16 LEU HD21 . 25872 1 159 . 1 1 16 16 LEU HD22 H 1 0.895 0.000 . . . . . A 16 LEU HD22 . 25872 1 160 . 1 1 16 16 LEU HD23 H 1 0.895 0.000 . . . . . A 16 LEU HD23 . 25872 1 161 . 1 1 16 16 LEU C C 13 175.676 0.000 . . . . . A 16 LEU C . 25872 1 162 . 1 1 16 16 LEU CA C 13 55.691 0.000 . . . . . A 16 LEU CA . 25872 1 163 . 1 1 16 16 LEU CB C 13 39.529 0.000 . . . . . A 16 LEU CB . 25872 1 164 . 1 1 16 16 LEU CG C 13 24.488 0.000 . . . . . A 16 LEU CG . 25872 1 165 . 1 1 16 16 LEU CD1 C 13 23.006 0.000 . . . . . A 16 LEU CD1 . 25872 1 166 . 1 1 16 16 LEU CD2 C 13 21.208 0.000 . . . . . A 16 LEU CD2 . 25872 1 167 . 1 1 16 16 LEU N N 15 120.605 0.000 . . . . . A 16 LEU N . 25872 1 168 . 1 1 17 17 ALA H H 1 8.315 0.000 . . . . . A 17 ALA H . 25872 1 169 . 1 1 17 17 ALA HA H 1 4.127 0.000 . . . . . A 17 ALA HA . 25872 1 170 . 1 1 17 17 ALA HB1 H 1 1.625 0.000 . . . . . A 17 ALA HB1 . 25872 1 171 . 1 1 17 17 ALA HB2 H 1 1.625 0.000 . . . . . A 17 ALA HB2 . 25872 1 172 . 1 1 17 17 ALA HB3 H 1 1.625 0.000 . . . . . A 17 ALA HB3 . 25872 1 173 . 1 1 17 17 ALA C C 13 176.892 0.000 . . . . . A 17 ALA C . 25872 1 174 . 1 1 17 17 ALA CA C 13 53.317 0.000 . . . . . A 17 ALA CA . 25872 1 175 . 1 1 17 17 ALA CB C 13 15.647 0.000 . . . . . A 17 ALA CB . 25872 1 176 . 1 1 17 17 ALA N N 15 121.535 0.000 . . . . . A 17 ALA N . 25872 1 177 . 1 1 18 18 VAL H H 1 8.687 0.000 . . . . . A 18 VAL H . 25872 1 178 . 1 1 18 18 VAL HA H 1 3.592 0.000 . . . . . A 18 VAL HA . 25872 1 179 . 1 1 18 18 VAL HB H 1 2.366 0.000 . . . . . A 18 VAL HB . 25872 1 180 . 1 1 18 18 VAL HG11 H 1 0.953 0.000 . . . . . A 18 VAL HG11 . 25872 1 181 . 1 1 18 18 VAL HG12 H 1 0.953 0.000 . . . . . A 18 VAL HG12 . 25872 1 182 . 1 1 18 18 VAL HG13 H 1 0.953 0.000 . . . . . A 18 VAL HG13 . 25872 1 183 . 1 1 18 18 VAL HG21 H 1 1.170 0.000 . . . . . A 18 VAL HG21 . 25872 1 184 . 1 1 18 18 VAL HG22 H 1 1.170 0.000 . . . . . A 18 VAL HG22 . 25872 1 185 . 1 1 18 18 VAL HG23 H 1 1.170 0.000 . . . . . A 18 VAL HG23 . 25872 1 186 . 1 1 18 18 VAL C C 13 175.271 0.000 . . . . . A 18 VAL C . 25872 1 187 . 1 1 18 18 VAL CA C 13 64.999 0.000 . . . . . A 18 VAL CA . 25872 1 188 . 1 1 18 18 VAL CB C 13 28.838 0.000 . . . . . A 18 VAL CB . 25872 1 189 . 1 1 18 18 VAL CG1 C 13 18.908 0.000 . . . . . A 18 VAL CG1 . 25872 1 190 . 1 1 18 18 VAL CG2 C 13 20.852 0.000 . . . . . A 18 VAL CG2 . 25872 1 191 . 1 1 18 18 VAL N N 15 118.055 0.000 . . . . . A 18 VAL N . 25872 1 192 . 1 1 19 19 PHE H H 1 8.622 0.000 . . . . . A 19 PHE H . 25872 1 193 . 1 1 19 19 PHE HA H 1 4.167 0.000 . . . . . A 19 PHE HA . 25872 1 194 . 1 1 19 19 PHE HB2 H 1 3.267 0.000 . . . . . A 19 PHE HB2 . 25872 1 195 . 1 1 19 19 PHE HB3 H 1 3.316 0.000 . . . . . A 19 PHE HB3 . 25872 1 196 . 1 1 19 19 PHE HD1 H 1 7.155 0.000 . . . . . A 19 PHE HD1 . 25872 1 197 . 1 1 19 19 PHE HD2 H 1 7.155 0.000 . . . . . A 19 PHE HD2 . 25872 1 198 . 1 1 19 19 PHE HE1 H 1 7.067 0.000 . . . . . A 19 PHE HE1 . 25872 1 199 . 1 1 19 19 PHE HE2 H 1 7.067 0.000 . . . . . A 19 PHE HE2 . 25872 1 200 . 1 1 19 19 PHE HZ H 1 6.958 0.000 . . . . . A 19 PHE HZ . 25872 1 201 . 1 1 19 19 PHE C C 13 174.197 0.000 . . . . . A 19 PHE C . 25872 1 202 . 1 1 19 19 PHE CA C 13 59.852 0.000 . . . . . A 19 PHE CA . 25872 1 203 . 1 1 19 19 PHE CB C 13 36.490 0.000 . . . . . A 19 PHE CB . 25872 1 204 . 1 1 19 19 PHE CZ C 13 128.477 0.000 . . . . . A 19 PHE CZ . 25872 1 205 . 1 1 19 19 PHE N N 15 119.235 0.000 . . . . . A 19 PHE N . 25872 1 206 . 1 1 20 20 ALA H H 1 9.059 0.000 . . . . . A 20 ALA H . 25872 1 207 . 1 1 20 20 ALA HA H 1 3.936 0.000 . . . . . A 20 ALA HA . 25872 1 208 . 1 1 20 20 ALA HB1 H 1 1.624 0.000 . . . . . A 20 ALA HB1 . 25872 1 209 . 1 1 20 20 ALA HB2 H 1 1.624 0.000 . . . . . A 20 ALA HB2 . 25872 1 210 . 1 1 20 20 ALA HB3 H 1 1.624 0.000 . . . . . A 20 ALA HB3 . 25872 1 211 . 1 1 20 20 ALA C C 13 176.558 0.000 . . . . . A 20 ALA C . 25872 1 212 . 1 1 20 20 ALA CA C 13 53.352 0.000 . . . . . A 20 ALA CA . 25872 1 213 . 1 1 20 20 ALA CB C 13 15.324 0.000 . . . . . A 20 ALA CB . 25872 1 214 . 1 1 20 20 ALA N N 15 120.852 0.000 . . . . . A 20 ALA N . 25872 1 215 . 1 1 21 21 CYS H H 1 8.311 0.000 . . . . . A 21 CYS H . 25872 1 216 . 1 1 21 21 CYS HA H 1 4.141 0.000 . . . . . A 21 CYS HA . 25872 1 217 . 1 1 21 21 CYS HB2 H 1 3.238 0.000 . . . . . A 21 CYS HB2 . 25872 1 218 . 1 1 21 21 CYS HB3 H 1 2.731 0.000 . . . . . A 21 CYS HB3 . 25872 1 219 . 1 1 21 21 CYS CA C 13 61.968 0.000 . . . . . A 21 CYS CA . 25872 1 220 . 1 1 21 21 CYS N N 15 115.298 0.000 . . . . . A 21 CYS N . 25872 1 221 . 1 1 22 22 LEU H H 1 8.607 0.000 . . . . . A 22 LEU H . 25872 1 222 . 1 1 22 22 LEU HA H 1 4.077 0.000 . . . . . A 22 LEU HA . 25872 1 223 . 1 1 22 22 LEU HB2 H 1 1.863 0.000 . . . . . A 22 LEU HB2 . 25872 1 224 . 1 1 22 22 LEU HB3 H 1 1.569 0.000 . . . . . A 22 LEU HB3 . 25872 1 225 . 1 1 22 22 LEU HG H 1 1.842 0.000 . . . . . A 22 LEU HG . 25872 1 226 . 1 1 22 22 LEU HD11 H 1 0.885 0.000 . . . . . A 22 LEU HD11 . 25872 1 227 . 1 1 22 22 LEU HD12 H 1 0.885 0.000 . . . . . A 22 LEU HD12 . 25872 1 228 . 1 1 22 22 LEU HD13 H 1 0.885 0.000 . . . . . A 22 LEU HD13 . 25872 1 229 . 1 1 22 22 LEU HD21 H 1 0.847 0.000 . . . . . A 22 LEU HD21 . 25872 1 230 . 1 1 22 22 LEU HD22 H 1 0.847 0.000 . . . . . A 22 LEU HD22 . 25872 1 231 . 1 1 22 22 LEU HD23 H 1 0.847 0.000 . . . . . A 22 LEU HD23 . 25872 1 232 . 1 1 22 22 LEU C C 13 176.153 0.000 . . . . . A 22 LEU C . 25872 1 233 . 1 1 22 22 LEU CA C 13 55.797 0.000 . . . . . A 22 LEU CA . 25872 1 234 . 1 1 22 22 LEU CB C 13 39.312 0.000 . . . . . A 22 LEU CB . 25872 1 235 . 1 1 22 22 LEU CG C 13 24.322 0.000 . . . . . A 22 LEU CG . 25872 1 236 . 1 1 22 22 LEU CD1 C 13 22.412 0.000 . . . . . A 22 LEU CD1 . 25872 1 237 . 1 1 22 22 LEU CD2 C 13 20.936 0.000 . . . . . A 22 LEU CD2 . 25872 1 238 . 1 1 22 22 LEU N N 15 122.447 0.000 . . . . . A 22 LEU N . 25872 1 239 . 1 1 23 23 PHE H H 1 8.998 0.000 . . . . . A 23 PHE H . 25872 1 240 . 1 1 23 23 PHE HA H 1 4.041 0.000 . . . . . A 23 PHE HA . 25872 1 241 . 1 1 23 23 PHE HB2 H 1 3.013 0.000 . . . . . A 23 PHE HB2 . 25872 1 242 . 1 1 23 23 PHE HB3 H 1 2.758 0.000 . . . . . A 23 PHE HB3 . 25872 1 243 . 1 1 23 23 PHE HD1 H 1 7.046 0.000 . . . . . A 23 PHE HD1 . 25872 1 244 . 1 1 23 23 PHE HD2 H 1 7.046 0.000 . . . . . A 23 PHE HD2 . 25872 1 245 . 1 1 23 23 PHE HE1 H 1 7.167 0.000 . . . . . A 23 PHE HE1 . 25872 1 246 . 1 1 23 23 PHE HE2 H 1 7.167 0.000 . . . . . A 23 PHE HE2 . 25872 1 247 . 1 1 23 23 PHE HZ H 1 7.118 0.000 . . . . . A 23 PHE HZ . 25872 1 248 . 1 1 23 23 PHE C C 13 173.959 0.000 . . . . . A 23 PHE C . 25872 1 249 . 1 1 23 23 PHE CA C 13 59.055 0.000 . . . . . A 23 PHE CA . 25872 1 250 . 1 1 23 23 PHE CB C 13 36.704 0.000 . . . . . A 23 PHE CB . 25872 1 251 . 1 1 23 23 PHE CZ C 13 128.491 0.000 . . . . . A 23 PHE CZ . 25872 1 252 . 1 1 23 23 PHE N N 15 122.153 0.000 . . . . . A 23 PHE N . 25872 1 253 . 1 1 24 24 LEU H H 1 8.653 0.000 . . . . . A 24 LEU H . 25872 1 254 . 1 1 24 24 LEU HA H 1 3.896 0.000 . . . . . A 24 LEU HA . 25872 1 255 . 1 1 24 24 LEU HB2 H 1 1.601 0.000 . . . . . A 24 LEU HB2 . 25872 1 256 . 1 1 24 24 LEU HB3 H 1 1.959 0.000 . . . . . A 24 LEU HB3 . 25872 1 257 . 1 1 24 24 LEU HG H 1 1.974 0.000 . . . . . A 24 LEU HG . 25872 1 258 . 1 1 24 24 LEU HD11 H 1 0.959 0.000 . . . . . A 24 LEU HD11 . 25872 1 259 . 1 1 24 24 LEU HD12 H 1 0.959 0.000 . . . . . A 24 LEU HD12 . 25872 1 260 . 1 1 24 24 LEU HD13 H 1 0.959 0.000 . . . . . A 24 LEU HD13 . 25872 1 261 . 1 1 24 24 LEU HD21 H 1 0.951 0.000 . . . . . A 24 LEU HD21 . 25872 1 262 . 1 1 24 24 LEU HD22 H 1 0.951 0.000 . . . . . A 24 LEU HD22 . 25872 1 263 . 1 1 24 24 LEU HD23 H 1 0.951 0.000 . . . . . A 24 LEU HD23 . 25872 1 264 . 1 1 24 24 LEU C C 13 175.915 0.000 . . . . . A 24 LEU C . 25872 1 265 . 1 1 24 24 LEU CA C 13 55.787 0.000 . . . . . A 24 LEU CA . 25872 1 266 . 1 1 24 24 LEU CB C 13 39.488 0.000 . . . . . A 24 LEU CB . 25872 1 267 . 1 1 24 24 LEU CG C 13 24.782 0.000 . . . . . A 24 LEU CG . 25872 1 268 . 1 1 24 24 LEU CD1 C 13 22.213 0.000 . . . . . A 24 LEU CD1 . 25872 1 269 . 1 1 24 24 LEU CD2 C 13 21.359 0.000 . . . . . A 24 LEU CD2 . 25872 1 270 . 1 1 24 24 LEU N N 15 118.082 0.000 . . . . . A 24 LEU N . 25872 1 271 . 1 1 25 25 SER H H 1 8.172 0.000 . . . . . A 25 SER H . 25872 1 272 . 1 1 25 25 SER HA H 1 4.080 0.000 . . . . . A 25 SER HA . 25872 1 273 . 1 1 25 25 SER HB2 H 1 4.059 0.000 . . . . . A 25 SER HB2 . 25872 1 274 . 1 1 25 25 SER HB3 H 1 3.774 0.000 . . . . . A 25 SER HB3 . 25872 1 275 . 1 1 25 25 SER C C 13 172.719 0.000 . . . . . A 25 SER C . 25872 1 276 . 1 1 25 25 SER CA C 13 61.220 0.000 . . . . . A 25 SER CA . 25872 1 277 . 1 1 25 25 SER CB C 13 60.568 0.000 . . . . . A 25 SER CB . 25872 1 278 . 1 1 25 25 SER N N 15 113.414 0.000 . . . . . A 25 SER N . 25872 1 279 . 1 1 26 26 THR H H 1 7.845 0.000 . . . . . A 26 THR H . 25872 1 280 . 1 1 26 26 THR HA H 1 3.787 0.000 . . . . . A 26 THR HA . 25872 1 281 . 1 1 26 26 THR HB H 1 4.194 0.000 . . . . . A 26 THR HB . 25872 1 282 . 1 1 26 26 THR HG21 H 1 1.161 0.000 . . . . . A 26 THR HG21 . 25872 1 283 . 1 1 26 26 THR HG22 H 1 1.161 0.000 . . . . . A 26 THR HG22 . 25872 1 284 . 1 1 26 26 THR HG23 H 1 1.161 0.000 . . . . . A 26 THR HG23 . 25872 1 285 . 1 1 26 26 THR C C 13 175.676 0.000 . . . . . A 26 THR C . 25872 1 286 . 1 1 26 26 THR CA C 13 65.563 0.000 . . . . . A 26 THR CA . 25872 1 287 . 1 1 26 26 THR CB C 13 65.262 0.000 . . . . . A 26 THR CB . 25872 1 288 . 1 1 26 26 THR CG2 C 13 19.089 0.000 . . . . . A 26 THR CG2 . 25872 1 289 . 1 1 26 26 THR N N 15 117.783 0.000 . . . . . A 26 THR N . 25872 1 290 . 1 1 27 27 LEU H H 1 8.053 0.000 . . . . . A 27 LEU H . 25872 1 291 . 1 1 27 27 LEU HA H 1 3.891 0.000 . . . . . A 27 LEU HA . 25872 1 292 . 1 1 27 27 LEU HB2 H 1 1.592 0.000 . . . . . A 27 LEU HB2 . 25872 1 293 . 1 1 27 27 LEU HB3 H 1 1.664 0.000 . . . . . A 27 LEU HB3 . 25872 1 294 . 1 1 27 27 LEU HG H 1 1.589 0.000 . . . . . A 27 LEU HG . 25872 1 295 . 1 1 27 27 LEU HD11 H 1 0.813 0.000 . . . . . A 27 LEU HD11 . 25872 1 296 . 1 1 27 27 LEU HD12 H 1 0.813 0.000 . . . . . A 27 LEU HD12 . 25872 1 297 . 1 1 27 27 LEU HD13 H 1 0.813 0.000 . . . . . A 27 LEU HD13 . 25872 1 298 . 1 1 27 27 LEU HD21 H 1 0.797 0.000 . . . . . A 27 LEU HD21 . 25872 1 299 . 1 1 27 27 LEU HD22 H 1 0.797 0.000 . . . . . A 27 LEU HD22 . 25872 1 300 . 1 1 27 27 LEU HD23 H 1 0.797 0.000 . . . . . A 27 LEU HD23 . 25872 1 301 . 1 1 27 27 LEU C C 13 175.676 0.000 . . . . . A 27 LEU C . 25872 1 302 . 1 1 27 27 LEU CA C 13 55.991 0.000 . . . . . A 27 LEU CA . 25872 1 303 . 1 1 27 27 LEU CB C 13 39.194 0.000 . . . . . A 27 LEU CB . 25872 1 304 . 1 1 27 27 LEU CG C 13 24.301 0.000 . . . . . A 27 LEU CG . 25872 1 305 . 1 1 27 27 LEU CD1 C 13 22.047 0.000 . . . . . A 27 LEU CD1 . 25872 1 306 . 1 1 27 27 LEU CD2 C 13 22.114 0.000 . . . . . A 27 LEU CD2 . 25872 1 307 . 1 1 27 27 LEU N N 15 121.022 0.000 . . . . . A 27 LEU N . 25872 1 308 . 1 1 28 28 LEU H H 1 8.206 0.000 . . . . . A 28 LEU H . 25872 1 309 . 1 1 28 28 LEU HA H 1 4.040 0.000 . . . . . A 28 LEU HA . 25872 1 310 . 1 1 28 28 LEU HB2 H 1 2.035 0.000 . . . . . A 28 LEU HB2 . 25872 1 311 . 1 1 28 28 LEU HB3 H 1 1.585 0.000 . . . . . A 28 LEU HB3 . 25872 1 312 . 1 1 28 28 LEU HG H 1 1.960 0.000 . . . . . A 28 LEU HG . 25872 1 313 . 1 1 28 28 LEU HD11 H 1 0.973 0.000 . . . . . A 28 LEU HD11 . 25872 1 314 . 1 1 28 28 LEU HD12 H 1 0.973 0.000 . . . . . A 28 LEU HD12 . 25872 1 315 . 1 1 28 28 LEU HD13 H 1 0.973 0.000 . . . . . A 28 LEU HD13 . 25872 1 316 . 1 1 28 28 LEU HD21 H 1 0.945 0.000 . . . . . A 28 LEU HD21 . 25872 1 317 . 1 1 28 28 LEU HD22 H 1 0.945 0.000 . . . . . A 28 LEU HD22 . 25872 1 318 . 1 1 28 28 LEU HD23 H 1 0.945 0.000 . . . . . A 28 LEU HD23 . 25872 1 319 . 1 1 28 28 LEU C C 13 176.439 0.000 . . . . . A 28 LEU C . 25872 1 320 . 1 1 28 28 LEU CA C 13 55.847 0.000 . . . . . A 28 LEU CA . 25872 1 321 . 1 1 28 28 LEU CB C 13 39.186 0.000 . . . . . A 28 LEU CB . 25872 1 322 . 1 1 28 28 LEU CG C 13 24.611 0.000 . . . . . A 28 LEU CG . 25872 1 323 . 1 1 28 28 LEU CD1 C 13 22.924 0.000 . . . . . A 28 LEU CD1 . 25872 1 324 . 1 1 28 28 LEU CD2 C 13 20.999 0.000 . . . . . A 28 LEU CD2 . 25872 1 325 . 1 1 28 28 LEU N N 15 117.328 0.000 . . . . . A 28 LEU N . 25872 1 326 . 1 1 29 29 LEU H H 1 8.121 0.000 . . . . . A 29 LEU H . 25872 1 327 . 1 1 29 29 LEU HA H 1 4.173 0.000 . . . . . A 29 LEU HA . 25872 1 328 . 1 1 29 29 LEU HB2 H 1 2.050 0.000 . . . . . A 29 LEU HB2 . 25872 1 329 . 1 1 29 29 LEU HB3 H 1 1.798 0.000 . . . . . A 29 LEU HB3 . 25872 1 330 . 1 1 29 29 LEU HG H 1 1.913 0.000 . . . . . A 29 LEU HG . 25872 1 331 . 1 1 29 29 LEU HD11 H 1 1.008 0.000 . . . . . A 29 LEU HD11 . 25872 1 332 . 1 1 29 29 LEU HD12 H 1 1.008 0.000 . . . . . A 29 LEU HD12 . 25872 1 333 . 1 1 29 29 LEU HD13 H 1 1.008 0.000 . . . . . A 29 LEU HD13 . 25872 1 334 . 1 1 29 29 LEU HD21 H 1 1.012 0.000 . . . . . A 29 LEU HD21 . 25872 1 335 . 1 1 29 29 LEU HD22 H 1 1.012 0.000 . . . . . A 29 LEU HD22 . 25872 1 336 . 1 1 29 29 LEU HD23 H 1 1.012 0.000 . . . . . A 29 LEU HD23 . 25872 1 337 . 1 1 29 29 LEU C C 13 176.773 0.000 . . . . . A 29 LEU C . 25872 1 338 . 1 1 29 29 LEU CA C 13 55.943 0.000 . . . . . A 29 LEU CA . 25872 1 339 . 1 1 29 29 LEU CB C 13 39.593 0.000 . . . . . A 29 LEU CB . 25872 1 340 . 1 1 29 29 LEU CG C 13 24.745 0.000 . . . . . A 29 LEU CG . 25872 1 341 . 1 1 29 29 LEU CD1 C 13 21.892 0.000 . . . . . A 29 LEU CD1 . 25872 1 342 . 1 1 29 29 LEU CD2 C 13 22.875 0.000 . . . . . A 29 LEU CD2 . 25872 1 343 . 1 1 29 29 LEU N N 15 119.596 0.000 . . . . . A 29 LEU N . 25872 1 344 . 1 1 30 30 VAL H H 1 8.429 0.000 . . . . . A 30 VAL H . 25872 1 345 . 1 1 30 30 VAL HA H 1 3.743 0.000 . . . . . A 30 VAL HA . 25872 1 346 . 1 1 30 30 VAL HB H 1 2.345 0.000 . . . . . A 30 VAL HB . 25872 1 347 . 1 1 30 30 VAL HG11 H 1 1.027 0.000 . . . . . A 30 VAL HG11 . 25872 1 348 . 1 1 30 30 VAL HG12 H 1 1.027 0.000 . . . . . A 30 VAL HG12 . 25872 1 349 . 1 1 30 30 VAL HG13 H 1 1.027 0.000 . . . . . A 30 VAL HG13 . 25872 1 350 . 1 1 30 30 VAL HG21 H 1 1.155 0.000 . . . . . A 30 VAL HG21 . 25872 1 351 . 1 1 30 30 VAL HG22 H 1 1.155 0.000 . . . . . A 30 VAL HG22 . 25872 1 352 . 1 1 30 30 VAL HG23 H 1 1.155 0.000 . . . . . A 30 VAL HG23 . 25872 1 353 . 1 1 30 30 VAL C C 13 175.294 0.000 . . . . . A 30 VAL C . 25872 1 354 . 1 1 30 30 VAL CA C 13 64.164 0.000 . . . . . A 30 VAL CA . 25872 1 355 . 1 1 30 30 VAL CB C 13 29.137 0.000 . . . . . A 30 VAL CB . 25872 1 356 . 1 1 30 30 VAL CG1 C 13 19.189 0.000 . . . . . A 30 VAL CG1 . 25872 1 357 . 1 1 30 30 VAL CG2 C 13 20.497 0.000 . . . . . A 30 VAL CG2 . 25872 1 358 . 1 1 30 30 VAL N N 15 118.438 0.000 . . . . . A 30 VAL N . 25872 1 359 . 1 1 31 31 LEU H H 1 8.552 0.000 . . . . . A 31 LEU H . 25872 1 360 . 1 1 31 31 LEU HA H 1 4.158 0.000 . . . . . A 31 LEU HA . 25872 1 361 . 1 1 31 31 LEU HB2 H 1 1.974 0.000 . . . . . A 31 LEU HB2 . 25872 1 362 . 1 1 31 31 LEU HB3 H 1 1.658 0.000 . . . . . A 31 LEU HB3 . 25872 1 363 . 1 1 31 31 LEU HG H 1 1.964 0.000 . . . . . A 31 LEU HG . 25872 1 364 . 1 1 31 31 LEU HD11 H 1 0.966 0.000 . . . . . A 31 LEU HD11 . 25872 1 365 . 1 1 31 31 LEU HD12 H 1 0.966 0.000 . . . . . A 31 LEU HD12 . 25872 1 366 . 1 1 31 31 LEU HD13 H 1 0.966 0.000 . . . . . A 31 LEU HD13 . 25872 1 367 . 1 1 31 31 LEU HD21 H 1 0.962 0.000 . . . . . A 31 LEU HD21 . 25872 1 368 . 1 1 31 31 LEU HD22 H 1 0.962 0.000 . . . . . A 31 LEU HD22 . 25872 1 369 . 1 1 31 31 LEU HD23 H 1 0.962 0.000 . . . . . A 31 LEU HD23 . 25872 1 370 . 1 1 31 31 LEU C C 13 176.058 0.000 . . . . . A 31 LEU C . 25872 1 371 . 1 1 31 31 LEU CA C 13 55.204 0.000 . . . . . A 31 LEU CA . 25872 1 372 . 1 1 31 31 LEU CB C 13 39.340 0.000 . . . . . A 31 LEU CB . 25872 1 373 . 1 1 31 31 LEU CG C 13 24.566 0.000 . . . . . A 31 LEU CG . 25872 1 374 . 1 1 31 31 LEU CD1 C 13 20.939 0.000 . . . . . A 31 LEU CD1 . 25872 1 375 . 1 1 31 31 LEU CD2 C 13 23.024 0.000 . . . . . A 31 LEU CD2 . 25872 1 376 . 1 1 31 31 LEU N N 15 119.064 0.000 . . . . . A 31 LEU N . 25872 1 377 . 1 1 32 32 ASN H H 1 8.148 0.000 . . . . . A 32 ASN H . 25872 1 378 . 1 1 32 32 ASN HA H 1 4.632 0.000 . . . . . A 32 ASN HA . 25872 1 379 . 1 1 32 32 ASN HB2 H 1 2.946 0.000 . . . . . A 32 ASN HB2 . 25872 1 380 . 1 1 32 32 ASN HB3 H 1 2.946 0.000 . . . . . A 32 ASN HB3 . 25872 1 381 . 1 1 32 32 ASN HD21 H 1 7.757 0.000 . . . . . A 32 ASN HD21 . 25872 1 382 . 1 1 32 32 ASN HD22 H 1 6.927 0.000 . . . . . A 32 ASN HD22 . 25872 1 383 . 1 1 32 32 ASN ND2 N 15 111.575 0.000 . . . . . A 32 ASN ND2 . 25872 1 384 . 1 1 33 33 LYS H H 1 8.074 0.000 . . . . . A 33 LYS H . 25872 1 385 . 1 1 33 33 LYS HA H 1 4.334 0.000 . . . . . A 33 LYS HA . 25872 1 386 . 1 1 33 33 LYS HB2 H 1 2.031 0.000 . . . . . A 33 LYS HB2 . 25872 1 387 . 1 1 33 33 LYS HB3 H 1 2.031 0.000 . . . . . A 33 LYS HB3 . 25872 1 388 . 1 1 33 33 LYS HG2 H 1 1.628 0.000 . . . . . A 33 LYS HG2 . 25872 1 389 . 1 1 33 33 LYS HG3 H 1 1.628 0.000 . . . . . A 33 LYS HG3 . 25872 1 390 . 1 1 33 33 LYS HD2 H 1 1.814 0.000 . . . . . A 33 LYS HD2 . 25872 1 391 . 1 1 33 33 LYS HD3 H 1 1.814 0.000 . . . . . A 33 LYS HD3 . 25872 1 392 . 1 1 33 33 LYS HE2 H 1 3.061 0.000 . . . . . A 33 LYS HE2 . 25872 1 393 . 1 1 33 33 LYS HE3 H 1 3.061 0.000 . . . . . A 33 LYS HE3 . 25872 1 394 . 1 1 33 33 LYS C C 13 174.722 0.000 . . . . . A 33 LYS C . 25872 1 395 . 1 1 33 33 LYS CA C 13 54.918 0.000 . . . . . A 33 LYS CA . 25872 1 396 . 1 1 33 33 LYS CB C 13 30.315 0.000 . . . . . A 33 LYS CB . 25872 1 397 . 1 1 33 33 LYS CG C 13 22.499 0.000 . . . . . A 33 LYS CG . 25872 1 398 . 1 1 33 33 LYS CD C 13 26.411 0.000 . . . . . A 33 LYS CD . 25872 1 399 . 1 1 33 33 LYS CE C 13 39.578 0.000 . . . . . A 33 LYS CE . 25872 1 400 . 1 1 33 33 LYS N N 15 118.261 0.000 . . . . . A 33 LYS N . 25872 1 401 . 1 1 34 34 ALA H H 1 8.344 0.000 . . . . . A 34 ALA H . 25872 1 402 . 1 1 34 34 ALA HA H 1 4.381 0.000 . . . . . A 34 ALA HA . 25872 1 403 . 1 1 34 34 ALA HB1 H 1 1.555 0.000 . . . . . A 34 ALA HB1 . 25872 1 404 . 1 1 34 34 ALA HB2 H 1 1.555 0.000 . . . . . A 34 ALA HB2 . 25872 1 405 . 1 1 34 34 ALA HB3 H 1 1.555 0.000 . . . . . A 34 ALA HB3 . 25872 1 406 . 1 1 34 34 ALA C C 13 175.557 0.000 . . . . . A 34 ALA C . 25872 1 407 . 1 1 34 34 ALA CA C 13 50.859 0.000 . . . . . A 34 ALA CA . 25872 1 408 . 1 1 34 34 ALA CB C 13 16.769 0.000 . . . . . A 34 ALA CB . 25872 1 409 . 1 1 34 34 ALA N N 15 120.974 0.000 . . . . . A 34 ALA N . 25872 1 410 . 1 1 35 35 GLY H H 1 8.192 0.000 . . . . . A 35 GLY H . 25872 1 411 . 1 1 35 35 GLY HA2 H 1 4.014 0.000 . . . . . A 35 GLY HA2 . 25872 1 412 . 1 1 35 35 GLY HA3 H 1 4.103 0.000 . . . . . A 35 GLY HA3 . 25872 1 413 . 1 1 35 35 GLY C C 13 171.431 0.000 . . . . . A 35 GLY C . 25872 1 414 . 1 1 35 35 GLY CA C 13 43.302 0.000 . . . . . A 35 GLY CA . 25872 1 415 . 1 1 35 35 GLY N N 15 105.444 0.000 . . . . . A 35 GLY N . 25872 1 416 . 1 1 36 36 ARG H H 1 7.991 0.000 . . . . . A 36 ARG H . 25872 1 417 . 1 1 36 36 ARG HA H 1 4.474 0.000 . . . . . A 36 ARG HA . 25872 1 418 . 1 1 36 36 ARG HB2 H 1 2.033 0.000 . . . . . A 36 ARG HB2 . 25872 1 419 . 1 1 36 36 ARG HB3 H 1 1.893 0.000 . . . . . A 36 ARG HB3 . 25872 1 420 . 1 1 36 36 ARG HG2 H 1 1.759 0.000 . . . . . A 36 ARG HG2 . 25872 1 421 . 1 1 36 36 ARG HG3 H 1 1.759 0.000 . . . . . A 36 ARG HG3 . 25872 1 422 . 1 1 36 36 ARG HD2 H 1 3.318 0.000 . . . . . A 36 ARG HD2 . 25872 1 423 . 1 1 36 36 ARG HD3 H 1 3.318 0.000 . . . . . A 36 ARG HD3 . 25872 1 424 . 1 1 36 36 ARG C C 13 173.530 0.000 . . . . . A 36 ARG C . 25872 1 425 . 1 1 36 36 ARG CA C 13 53.566 0.000 . . . . . A 36 ARG CA . 25872 1 426 . 1 1 36 36 ARG CB C 13 28.281 0.000 . . . . . A 36 ARG CB . 25872 1 427 . 1 1 36 36 ARG CG C 13 24.833 0.000 . . . . . A 36 ARG CG . 25872 1 428 . 1 1 36 36 ARG CD C 13 41.059 0.000 . . . . . A 36 ARG CD . 25872 1 429 . 1 1 36 36 ARG N N 15 119.296 0.000 . . . . . A 36 ARG N . 25872 1 430 . 1 1 37 37 ARG H H 1 8.320 0.000 . . . . . A 37 ARG H . 25872 1 431 . 1 1 37 37 ARG HA H 1 4.460 0.000 . . . . . A 37 ARG HA . 25872 1 432 . 1 1 37 37 ARG HB2 H 1 2.007 0.000 . . . . . A 37 ARG HB2 . 25872 1 433 . 1 1 37 37 ARG HB3 H 1 1.905 0.000 . . . . . A 37 ARG HB3 . 25872 1 434 . 1 1 37 37 ARG HG2 H 1 1.771 0.000 . . . . . A 37 ARG HG2 . 25872 1 435 . 1 1 37 37 ARG HG3 H 1 1.771 0.000 . . . . . A 37 ARG HG3 . 25872 1 436 . 1 1 37 37 ARG HD2 H 1 3.323 0.000 . . . . . A 37 ARG HD2 . 25872 1 437 . 1 1 37 37 ARG HD3 H 1 3.323 0.000 . . . . . A 37 ARG HD3 . 25872 1 438 . 1 1 37 37 ARG C C 13 173.411 0.000 . . . . . A 37 ARG C . 25872 1 439 . 1 1 37 37 ARG CA C 13 53.772 0.000 . . . . . A 37 ARG CA . 25872 1 440 . 1 1 37 37 ARG CB C 13 28.416 0.000 . . . . . A 37 ARG CB . 25872 1 441 . 1 1 37 37 ARG CG C 13 24.817 0.000 . . . . . A 37 ARG CG . 25872 1 442 . 1 1 37 37 ARG CD C 13 41.012 0.000 . . . . . A 37 ARG CD . 25872 1 443 . 1 1 37 37 ARG N N 15 120.950 0.000 . . . . . A 37 ARG N . 25872 1 444 . 1 1 38 38 ASN HA H 1 4.806 0.000 . . . . . A 38 ASN HA . 25872 1 445 . 1 1 38 38 ASN HB2 H 1 2.964 0.000 . . . . . A 38 ASN HB2 . 25872 1 446 . 1 1 38 38 ASN HB3 H 1 2.856 0.000 . . . . . A 38 ASN HB3 . 25872 1 447 . 1 1 38 38 ASN HD21 H 1 7.679 0.000 . . . . . A 38 ASN HD21 . 25872 1 448 . 1 1 38 38 ASN HD22 H 1 6.973 0.000 . . . . . A 38 ASN HD22 . 25872 1 449 . 1 1 38 38 ASN C C 13 171.383 0.000 . . . . . A 38 ASN C . 25872 1 450 . 1 1 38 38 ASN CA C 13 51.070 0.000 . . . . . A 38 ASN CA . 25872 1 451 . 1 1 38 38 ASN ND2 N 15 112.801 0.000 . . . . . A 38 ASN ND2 . 25872 1 452 . 1 1 39 39 LYS H H 1 7.881 0.000 . . . . . A 39 LYS H . 25872 1 453 . 1 1 39 39 LYS HA H 1 4.249 0.000 . . . . . A 39 LYS HA . 25872 1 454 . 1 1 39 39 LYS HB2 H 1 1.820 0.000 . . . . . A 39 LYS HB2 . 25872 1 455 . 1 1 39 39 LYS HB3 H 1 1.924 0.000 . . . . . A 39 LYS HB3 . 25872 1 456 . 1 1 39 39 LYS HG2 H 1 1.504 0.000 . . . . . A 39 LYS HG2 . 25872 1 457 . 1 1 39 39 LYS HG3 H 1 1.504 0.000 . . . . . A 39 LYS HG3 . 25872 1 458 . 1 1 39 39 LYS HD2 H 1 1.789 0.000 . . . . . A 39 LYS HD2 . 25872 1 459 . 1 1 39 39 LYS HD3 H 1 1.789 0.000 . . . . . A 39 LYS HD3 . 25872 1 460 . 1 1 39 39 LYS HE2 H 1 3.114 0.000 . . . . . A 39 LYS HE2 . 25872 1 461 . 1 1 39 39 LYS HE3 H 1 3.114 0.000 . . . . . A 39 LYS HE3 . 25872 1 462 . 1 1 39 39 LYS C C 13 178.371 0.000 . . . . . A 39 LYS C . 25872 1 463 . 1 1 39 39 LYS CA C 13 55.381 0.000 . . . . . A 39 LYS CA . 25872 1 464 . 1 1 39 39 LYS CB C 13 31.415 0.000 . . . . . A 39 LYS CB . 25872 1 465 . 1 1 39 39 LYS CG C 13 22.213 0.000 . . . . . A 39 LYS CG . 25872 1 466 . 1 1 39 39 LYS CD C 13 26.799 0.000 . . . . . A 39 LYS CD . 25872 1 467 . 1 1 39 39 LYS CE C 13 39.861 0.000 . . . . . A 39 LYS CE . 25872 1 468 . 1 1 39 39 LYS N N 15 126.026 0.000 . . . . . A 39 LYS N . 25872 1 stop_ save_