################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51622 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chem shift list 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 $chem_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' . . . 51622 1 2 '2D 1H-15N HSQC TOCSY' . . . 51622 1 3 '2D 1H-13C HSQC' . . . 51622 1 4 '2D 1H-13C HSQC TOCSY' . . . 51622 1 5 '2D 1H-13C HMBC' . . . 51622 1 6 '2D 1H-1H NOESY' . . . 51622 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51622 1 2 $software_2 . . 51622 1 3 $software_3 . . 51622 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 DPN H H 1 8.225 0.00 . 1 . . . . . 1 PHE HN . 51622 1 2 . 1 . 1 1 1 DPN HA H 1 4.354 0.00 . 1 . . . . . 1 PHE HA . 51622 1 3 . 1 . 1 1 1 DPN HB2 H 1 2.960 0.00 . 2 . . . . . 1 PHE HB2 . 51622 1 4 . 1 . 1 1 1 DPN HB3 H 1 3.070 0.00 . 2 . . . . . 1 PHE HB3 . 51622 1 5 . 1 . 1 1 1 DPN HD1 H 1 7.217 0.00 . 3 . . . . . 1 PHE HD . 51622 1 6 . 1 . 1 1 1 DPN HD2 H 1 7.217 0.00 . 3 . . . . . 1 PHE HD . 51622 1 7 . 1 . 1 1 1 DPN HE1 H 1 7.342 0.01 . 3 . . . . . 1 PHE HE . 51622 1 8 . 1 . 1 1 1 DPN HE2 H 1 7.342 0.01 . 3 . . . . . 1 PHE HE . 51622 1 9 . 1 . 1 1 1 DPN HZ H 1 7.306 0.00 . 1 . . . . . 1 PHE HZ . 51622 1 10 . 1 . 1 1 1 DPN C C 13 166.893 0.01 . 1 . . . . . 1 PHE C . 51622 1 11 . 1 . 1 1 1 DPN CA C 13 52.394 0.00 . 1 . . . . . 1 PHE CA . 51622 1 12 . 1 . 1 1 1 DPN CB C 13 37.248 0.00 . 1 . . . . . 1 PHE CB . 51622 1 13 . 1 . 1 1 1 DPN CG C 13 134.994 0.00 . 1 . . . . . 1 PHE CG . 51622 1 14 . 1 . 1 1 1 DPN CD1 C 13 129.959 0.00 . 3 . . . . . 1 PHE CD . 51622 1 15 . 1 . 1 1 1 DPN CD2 C 13 129.959 0.00 . 3 . . . . . 1 PHE CD . 51622 1 16 . 1 . 1 1 1 DPN CE1 C 13 129.030 0.00 . 3 . . . . . 1 PHE CE . 51622 1 17 . 1 . 1 1 1 DPN CE2 C 13 129.030 0.00 . 3 . . . . . 1 PHE CE . 51622 1 18 . 1 . 1 1 1 DPN CZ C 13 127.909 0.01 . 1 . . . . . 1 PHE CZ . 51622 1 19 . 1 . 1 2 2 PRO HA H 1 4.243 0.00 . 1 . . . . . 2 PRO HA . 51622 1 20 . 1 . 1 2 2 PRO HB2 H 1 1.685 0.00 . 2 . . . . . 2 PRO HB2 . 51622 1 21 . 1 . 1 2 2 PRO HB3 H 1 1.766 0.01 . 2 . . . . . 2 PRO HB3 . 51622 1 22 . 1 . 1 2 2 PRO HG2 H 1 1.417 0.00 . 2 . . . . . 2 PRO HG2 . 51622 1 23 . 1 . 1 2 2 PRO HG3 H 1 1.688 0.00 . 2 . . . . . 2 PRO HG3 . 51622 1 24 . 1 . 1 2 2 PRO HD2 H 1 2.700 0.00 . 2 . . . . . 2 PRO HD2 . 51622 1 25 . 1 . 1 2 2 PRO HD3 H 1 3.471 0.00 . 2 . . . . . 2 PRO HD3 . 51622 1 26 . 1 . 1 2 2 PRO C C 13 171.376 0.00 . 1 . . . . . 2 PRO C . 51622 1 27 . 1 . 1 2 2 PRO CA C 13 59.791 0.00 . 1 . . . . . 2 PRO CA . 51622 1 28 . 1 . 1 2 2 PRO CB C 13 29.696 0.00 . 1 . . . . . 2 PRO CB . 51622 1 29 . 1 . 1 2 2 PRO CG C 13 24.256 0.00 . 1 . . . . . 2 PRO CG . 51622 1 30 . 1 . 1 2 2 PRO CD C 13 47.193 0.00 . 1 . . . . . 2 PRO CD . 51622 1 31 . 1 . 1 3 3 ARG H H 1 8.147 0.00 . 1 . . . . . 3 ARG HN . 51622 1 32 . 1 . 1 3 3 ARG HA H 1 4.412 0.00 . 1 . . . . . 3 ARG HA . 51622 1 33 . 1 . 1 3 3 ARG HB2 H 1 1.516 0.00 . 2 . . . . . 3 ARG HB2 . 51622 1 34 . 1 . 1 3 3 ARG HB3 H 1 1.706 0.00 . 2 . . . . . 3 ARG HB3 . 51622 1 35 . 1 . 1 3 3 ARG HG2 H 1 1.554 0.01 . 2 . . . . . 3 ARG HG . 51622 1 36 . 1 . 1 3 3 ARG HG3 H 1 1.554 0.01 . 2 . . . . . 3 ARG HG . 51622 1 37 . 1 . 1 3 3 ARG HD2 H 1 3.089 0.01 . 2 . . . . . 3 ARG HD . 51622 1 38 . 1 . 1 3 3 ARG HD3 H 1 3.089 0.01 . 2 . . . . . 3 ARG HD . 51622 1 39 . 1 . 1 3 3 ARG HE H 1 7.584 0.00 . 1 . . . . . 3 ARG HE . 51622 1 40 . 1 . 1 3 3 ARG HH11 H 1 6.943 0.00 . 1 . . . . . 3 ARG HH1 . 51622 1 41 . 1 . 1 3 3 ARG HH12 H 1 6.943 0.00 . 1 . . . . . 3 ARG HH1 . 51622 1 42 . 1 . 1 3 3 ARG HH21 H 1 7.337 0.00 . 1 . . . . . 3 ARG HH2 . 51622 1 43 . 1 . 1 3 3 ARG HH22 H 1 7.337 0.00 . 1 . . . . . 3 ARG HH2 . 51622 1 44 . 1 . 1 3 3 ARG C C 13 170.245 0.00 . 1 . . . . . 3 ARG C . 51622 1 45 . 1 . 1 3 3 ARG CA C 13 50.704 0.01 . 1 . . . . . 3 ARG CA . 51622 1 46 . 1 . 1 3 3 ARG CB C 13 28.569 0.00 . 1 . . . . . 3 ARG CB . 51622 1 47 . 1 . 1 3 3 ARG CG C 13 25.117 0.00 . 1 . . . . . 3 ARG CG . 51622 1 48 . 1 . 1 3 3 ARG CD C 13 41.070 0.00 . 1 . . . . . 3 ARG CD . 51622 1 49 . 1 . 1 3 3 ARG CZ C 13 157.188 0.00 . 1 . . . . . 3 ARG CZ . 51622 1 50 . 1 . 1 3 3 ARG N N 15 117.812 0.00 . 1 . . . . . 3 ARG N . 51622 1 51 . 1 . 1 3 3 ARG NE N 15 84.80 0.01 . 1 . . . . . 3 ARG NE . 51622 1 52 . 1 . 1 4 4 PRO HA H 1 4.297 0.00 . 1 . . . . . 4 PRO HA . 51622 1 53 . 1 . 1 4 4 PRO HB2 H 1 1.836 0.01 . 2 . . . . . 4 PRO HB2 . 51622 1 54 . 1 . 1 4 4 PRO HB3 H 1 2.052 0.00 . 2 . . . . . 4 PRO HB3 . 51622 1 55 . 1 . 1 4 4 PRO HG2 H 1 1.831 0.00 . 2 . . . . . 4 PRO HG2 . 51622 1 56 . 1 . 1 4 4 PRO HG3 H 1 1.942 0.00 . 2 . . . . . 4 PRO HG3 . 51622 1 57 . 1 . 1 4 4 PRO HD2 H 1 3.526 0.00 . 2 . . . . . 4 PRO HD2 . 51622 1 58 . 1 . 1 4 4 PRO HD3 H 1 3.618 0.00 . 2 . . . . . 4 PRO HD3 . 51622 1 59 . 1 . 1 4 4 PRO C C 13 172.580 0.00 . 1 . . . . . 4 PRO C . 51622 1 60 . 1 . 1 4 4 PRO CA C 13 60.154 0.00 . 1 . . . . . 4 PRO CA . 51622 1 61 . 1 . 1 4 4 PRO CB C 13 29.599 0.00 . 1 . . . . . 4 PRO CB . 51622 1 62 . 1 . 1 4 4 PRO CG C 13 25.022 0.00 . 1 . . . . . 4 PRO CG . 51622 1 63 . 1 . 1 4 4 PRO CD C 13 47.255 0.00 . 1 . . . . . 4 PRO CD . 51622 1 64 . 1 . 1 5 5 GLY H H 1 8.251 0.00 . 1 . . . . . 5 GLY HN . 51622 1 65 . 1 . 1 5 5 GLY HA2 H 1 3.692 0.00 . 2 . . . . . 5 GLY HA2 . 51622 1 66 . 1 . 1 5 5 GLY HA3 H 1 3.761 0.00 . 2 . . . . . 5 GLY HA3 . 51622 1 67 . 1 . 1 5 5 GLY C C 13 169.692 0.00 . 1 . . . . . 5 GLY C . 51622 1 68 . 1 . 1 5 5 GLY CA C 13 42.523 0.00 . 1 . . . . . 5 GLY CA . 51622 1 69 . 1 . 1 5 5 GLY N N 15 105.761 0.00 . 1 . . . . . 5 GLY N . 51622 1 70 . 1 . 1 6 6 GLY H H 1 8.030 0.00 . 1 . . . . . 6 GLY HN . 51622 1 71 . 1 . 1 6 6 GLY HA2 H 1 3.757 0.00 . 2 . . . . . 6 GLY HA . 51622 1 72 . 1 . 1 6 6 GLY HA3 H 1 3.757 0.00 . 2 . . . . . 6 GLY HA . 51622 1 73 . 1 . 1 6 6 GLY C C 13 169.678 0.00 . 1 . . . . . 6 GLY C . 51622 1 74 . 1 . 1 6 6 GLY CA C 13 42.450 0.00 . 1 . . . . . 6 GLY CA . 51622 1 75 . 1 . 1 6 6 GLY N N 15 104.854 0.01 . 1 . . . . . 6 GLY N . 51622 1 76 . 1 . 1 7 7 GLY H H 1 8.149 0.00 . 1 . . . . . 7 GLY HN . 51622 1 77 . 1 . 1 7 7 GLY HA2 H 1 3.763 0.00 . 2 . . . . . 7 GLY HA . 51622 1 78 . 1 . 1 7 7 GLY HA3 H 1 3.763 0.00 . 2 . . . . . 7 GLY HA . 51622 1 79 . 1 . 1 7 7 GLY C C 13 169.560 0.00 . 1 . . . . . 7 GLY C . 51622 1 80 . 1 . 1 7 7 GLY CA C 13 42.414 0.00 . 1 . . . . . 7 GLY CA . 51622 1 81 . 1 . 1 7 7 GLY N N 15 105.596 0.00 . 1 . . . . . 7 GLY N . 51622 1 82 . 1 . 1 8 8 GLY H H 1 8.098 0.00 . 1 . . . . . 8 GLY HN . 51622 1 83 . 1 . 1 8 8 GLY HA2 H 1 3.738 0.00 . 2 . . . . . 8 GLY HA2 . 51622 1 84 . 1 . 1 8 8 GLY HA3 H 1 3.803 0.00 . 2 . . . . . 8 GLY HA3 . 51622 1 85 . 1 . 1 8 8 GLY C C 13 169.349 0.00 . 1 . . . . . 8 GLY C . 51622 1 86 . 1 . 1 8 8 GLY CA C 13 42.320 0.00 . 1 . . . . . 8 GLY CA . 51622 1 87 . 1 . 1 8 8 GLY N N 15 105.375 0.00 . 1 . . . . . 8 GLY N . 51622 1 88 . 1 . 1 9 9 ASP H H 1 8.250 0.00 . 1 . . . . . 9 ASP HN . 51622 1 89 . 1 . 1 9 9 ASP HA H 1 4.590 0.00 . 1 . . . . . 9 ASP HA . 51622 1 90 . 1 . 1 9 9 ASP HB2 H 1 2.526 0.00 . 2 . . . . . 9 ASP HB2 . 51622 1 91 . 1 . 1 9 9 ASP HB3 H 1 2.719 0.00 . 2 . . . . . 9 ASP HB3 . 51622 1 92 . 1 . 1 9 9 ASP C C 13 171.294 0.00 . 1 . . . . . 9 ASP C . 51622 1 93 . 1 . 1 9 9 ASP CA C 13 50.041 0.01 . 1 . . . . . 9 ASP CA . 51622 1 94 . 1 . 1 9 9 ASP CB C 13 36.637 0.00 . 1 . . . . . 9 ASP CB . 51622 1 95 . 1 . 1 9 9 ASP CG C 13 172.247 0.00 . 1 . . . . . 9 ASP CG . 51622 1 96 . 1 . 1 9 9 ASP N N 15 116.880 0.00 . 1 . . . . . 9 ASP N . 51622 1 97 . 1 . 1 10 10 GLY H H 1 8.058 0.00 . 1 . . . . . 10 GLY HN . 51622 1 98 . 1 . 1 10 10 GLY HA2 H 1 3.707 0.00 . 2 . . . . . 10 GLY HA2 . 51622 1 99 . 1 . 1 10 10 GLY HA3 H 1 3.640 0.00 . 2 . . . . . 10 GLY HA3 . 51622 1 100 . 1 . 1 10 10 GLY C C 13 168.963 0.00 . 1 . . . . . 10 GLY C . 51622 1 101 . 1 . 1 10 10 GLY CA C 13 42.494 0.00 . 1 . . . . . 10 GLY CA . 51622 1 102 . 1 . 1 10 10 GLY N N 15 105.253 0.01 . 1 . . . . . 10 GLY N . 51622 1 103 . 1 . 1 11 11 ASP H H 1 8.047 0.00 . 1 . . . . . 11 ASP HN . 51622 1 104 . 1 . 1 11 11 ASP HA H 1 4.560 0.00 . 1 . . . . . 11 ASP HA . 51622 1 105 . 1 . 1 11 11 ASP HB2 H 1 2.411 0.00 . 2 . . . . . 11 ASP HB2 . 51622 1 106 . 1 . 1 11 11 ASP HB3 H 1 2.657 0.00 . 2 . . . . . 11 ASP HB3 . 51622 1 107 . 1 . 1 11 11 ASP C C 13 170.824 0.00 . 1 . . . . . 11 ASP C . 51622 1 108 . 1 . 1 11 11 ASP CA C 13 49.778 0.00 . 1 . . . . . 11 ASP CA . 51622 1 109 . 1 . 1 11 11 ASP CB C 13 36.472 0.01 . 1 . . . . . 11 ASP CB . 51622 1 110 . 1 . 1 11 11 ASP CG C 13 172.152 0.00 . 1 . . . . . 11 ASP CG . 51622 1 111 . 1 . 1 11 11 ASP N N 15 116.574 0.01 . 1 . . . . . 11 ASP N . 51622 1 112 . 1 . 1 12 12 PHE H H 1 7.858 0.00 . 1 . . . . . 12 PHE HN . 51622 1 113 . 1 . 1 12 12 PHE HA H 1 4.474 0.00 . 1 . . . . . 12 PHE HA . 51622 1 114 . 1 . 1 12 12 PHE HB2 H 1 2.808 0.00 . 2 . . . . . 12 PHE HB2 . 51622 1 115 . 1 . 1 12 12 PHE HB3 H 1 3.008 0.00 . 2 . . . . . 12 PHE HB3 . 51622 1 116 . 1 . 1 12 12 PHE HD1 H 1 7.204 0.00 . 3 . . . . . 12 PHE HD . 51622 1 117 . 1 . 1 12 12 PHE HD2 H 1 7.204 0.00 . 3 . . . . . 12 PHE HD . 51622 1 118 . 1 . 1 12 12 PHE HE1 H 1 7.243 0.00 . 3 . . . . . 12 PHE HE . 51622 1 119 . 1 . 1 12 12 PHE HE2 H 1 7.243 0.00 . 3 . . . . . 12 PHE HE . 51622 1 120 . 1 . 1 12 12 PHE HZ H 1 7.175 0.01 . 1 . . . . . 12 PHE HZ . 51622 1 121 . 1 . 1 12 12 PHE C C 13 171.085 0.01 . 1 . . . . . 12 PHE C . 51622 1 122 . 1 . 1 12 12 PHE CA C 13 54.323 0.00 . 1 . . . . . 12 PHE CA . 51622 1 123 . 1 . 1 12 12 PHE CB C 13 37.687 0.01 . 1 . . . . . 12 PHE CB . 51622 1 124 . 1 . 1 12 12 PHE CG C 13 138.076 0.00 . 1 . . . . . 12 PHE CG . 51622 1 125 . 1 . 1 12 12 PHE CD1 C 13 129.711 0.00 . 3 . . . . . 12 PHE CD . 51622 1 126 . 1 . 1 12 12 PHE CD2 C 13 129.711 0.00 . 3 . . . . . 12 PHE CD . 51622 1 127 . 1 . 1 12 12 PHE CE1 C 13 128.487 0.00 . 3 . . . . . 12 PHE CE . 51622 1 128 . 1 . 1 12 12 PHE CE2 C 13 128.487 0.00 . 3 . . . . . 12 PHE CE . 51622 1 129 . 1 . 1 12 12 PHE CZ C 13 126.701 0.00 . 1 . . . . . 12 PHE CZ . 51622 1 130 . 1 . 1 12 12 PHE N N 15 116.029 0.01 . 1 . . . . . 12 PHE N . 51622 1 131 . 1 . 1 13 13 GLU H H 1 8.091 0.00 . 1 . . . . . 13 GLU HN . 51622 1 132 . 1 . 1 13 13 GLU HA H 1 4.269 0.00 . 1 . . . . . 13 GLU HA . 51622 1 133 . 1 . 1 13 13 GLU HB2 H 1 1.744 0.00 . 2 . . . . . 13 GLU HB2 . 51622 1 134 . 1 . 1 13 13 GLU HB3 H 1 1.878 0.00 . 2 . . . . . 13 GLU HB3 . 51622 1 135 . 1 . 1 13 13 GLU HG2 H 1 2.235 0.00 . 2 . . . . . 13 GLU HG . 51622 1 136 . 1 . 1 13 13 GLU HG3 H 1 2.235 0.00 . 2 . . . . . 13 GLU HG . 51622 1 137 . 1 . 1 13 13 GLU C C 13 171.297 0.00 . 1 . . . . . 13 GLU C . 51622 1 138 . 1 . 1 13 13 GLU CA C 13 52.281 0.00 . 1 . . . . . 13 GLU CA . 51622 1 139 . 1 . 1 13 13 GLU CB C 13 27.931 0.00 . 1 . . . . . 13 GLU CB . 51622 1 140 . 1 . 1 13 13 GLU CG C 13 30.618 0.00 . 1 . . . . . 13 GLU CG . 51622 1 141 . 1 . 1 13 13 GLU CD C 13 174.505 0.00 . 1 . . . . . 13 GLU CD . 51622 1 142 . 1 . 1 13 13 GLU N N 15 117.175 0.01 . 1 . . . . . 13 GLU N . 51622 1 143 . 1 . 1 14 14 GLU H H 1 7.968 0.00 . 1 . . . . . 14 GLU HN . 51622 1 144 . 1 . 1 14 14 GLU HA H 1 4.305 0.00 . 1 . . . . . 14 GLU HA . 51622 1 145 . 1 . 1 14 14 GLU HB2 H 1 1.698 0.00 . 2 . . . . . 14 GLU HB2 . 51622 1 146 . 1 . 1 14 14 GLU HB3 H 1 1.845 0.00 . 2 . . . . . 14 GLU HB3 . 51622 1 147 . 1 . 1 14 14 GLU HG2 H 1 2.172 0.00 . 2 . . . . . 14 GLU HG2 . 51622 1 148 . 1 . 1 14 14 GLU HG3 H 1 2.229 0.01 . 2 . . . . . 14 GLU HG3 . 51622 1 149 . 1 . 1 14 14 GLU C C 13 171.313 0.00 . 1 . . . . . 14 GLU C . 51622 1 150 . 1 . 1 14 14 GLU CA C 13 51.994 0.00 . 1 . . . . . 14 GLU CA . 51622 1 151 . 1 . 1 14 14 GLU CB C 13 28.049 0.00 . 1 . . . . . 14 GLU CB . 51622 1 152 . 1 . 1 14 14 GLU CG C 13 30.734 0.00 . 1 . . . . . 14 GLU CG . 51622 1 153 . 1 . 1 14 14 GLU CD C 13 174.446 0.00 . 1 . . . . . 14 GLU CD . 51622 1 154 . 1 . 1 14 14 GLU N N 15 117.810 0.01 . 1 . . . . . 14 GLU N . 51622 1 155 . 1 . 1 15 15 ILE H H 1 8.072 0.00 . 1 . . . . . 15 ILE HN . 51622 1 156 . 1 . 1 15 15 ILE HA H 1 4.315 0.00 . 1 . . . . . 15 ILE HA . 51622 1 157 . 1 . 1 15 15 ILE HB H 1 1.734 0.00 . 1 . . . . . 15 ILE HB . 51622 1 158 . 1 . 1 15 15 ILE HG12 H 1 1.057 0.00 . 2 . . . . . 15 ILE HG12 . 51622 1 159 . 1 . 1 15 15 ILE HG13 H 1 1.503 0.00 . 2 . . . . . 15 ILE HG13 . 51622 1 160 . 1 . 1 15 15 ILE HG21 H 1 0.871 0.00 . 1 . . . . . 15 ILE HG2 . 51622 1 161 . 1 . 1 15 15 ILE HG22 H 1 0.871 0.00 . 1 . . . . . 15 ILE HG2 . 51622 1 162 . 1 . 1 15 15 ILE HG23 H 1 0.871 0.00 . 1 . . . . . 15 ILE HG2 . 51622 1 163 . 1 . 1 15 15 ILE HD11 H 1 0.801 0.00 . 1 . . . . . 15 ILE HD1 . 51622 1 164 . 1 . 1 15 15 ILE HD12 H 1 0.801 0.00 . 1 . . . . . 15 ILE HD1 . 51622 1 165 . 1 . 1 15 15 ILE HD13 H 1 0.801 0.00 . 1 . . . . . 15 ILE HD1 . 51622 1 166 . 1 . 1 15 15 ILE C C 13 170.451 0.00 . 1 . . . . . 15 ILE C . 51622 1 167 . 1 . 1 15 15 ILE CA C 13 55.083 0.01 . 1 . . . . . 15 ILE CA . 51622 1 168 . 1 . 1 15 15 ILE CB C 13 36.632 0.01 . 1 . . . . . 15 ILE CB . 51622 1 169 . 1 . 1 15 15 ILE CG1 C 13 24.693 0.01 . 1 . . . . . 15 ILE CG1 . 51622 1 170 . 1 . 1 15 15 ILE CG2 C 13 15.349 0.01 . 1 . . . . . 15 ILE CG2 . 51622 1 171 . 1 . 1 15 15 ILE CD1 C 13 11.198 0.00 . 1 . . . . . 15 ILE CD1 . 51622 1 172 . 1 . 1 15 15 ILE N N 15 119.370 0.00 . 1 . . . . . 15 ILE N . 51622 1 173 . 1 . 1 16 16 PRO HA H 1 4.349 0.00 . 1 . . . . . 16 PRO HA . 51622 1 174 . 1 . 1 16 16 PRO HB2 H 1 1.795 0.00 . 2 . . . . . 16 PRO HB2 . 51622 1 175 . 1 . 1 16 16 PRO HB3 H 1 2.001 0.00 . 2 . . . . . 16 PRO HB3 . 51622 1 176 . 1 . 1 16 16 PRO HG2 H 1 1.792 0.00 . 2 . . . . . 16 PRO HG2 . 51622 1 177 . 1 . 1 16 16 PRO HG3 H 1 1.893 0.00 . 2 . . . . . 16 PRO HG3 . 51622 1 178 . 1 . 1 16 16 PRO HD2 H 1 3.536 0.00 . 2 . . . . . 16 PRO HD2 . 51622 1 179 . 1 . 1 16 16 PRO HD3 H 1 3.735 0.00 . 2 . . . . . 16 PRO HD3 . 51622 1 180 . 1 . 1 16 16 PRO C C 13 172.147 0.01 . 1 . . . . . 16 PRO C . 51622 1 181 . 1 . 1 16 16 PRO CA C 13 59.650 0.00 . 1 . . . . . 16 PRO CA . 51622 1 182 . 1 . 1 16 16 PRO CB C 13 29.486 0.00 . 1 . . . . . 16 PRO CB . 51622 1 183 . 1 . 1 16 16 PRO CG C 13 24.954 0.01 . 1 . . . . . 16 PRO CG . 51622 1 184 . 1 . 1 16 16 PRO CD C 13 47.674 0.00 . 1 . . . . . 16 PRO CD . 51622 1 185 . 1 . 1 17 17 GLU H H 1 8.076 0.00 . 1 . . . . . 17 GLU HN . 51622 1 186 . 1 . 1 17 17 GLU HA H 1 4.179 0.00 . 1 . . . . . 17 GLU HA . 51622 1 187 . 1 . 1 17 17 GLU HB2 H 1 1.737 0.00 . 2 . . . . . 17 GLU HB2 . 51622 1 188 . 1 . 1 17 17 GLU HB3 H 1 1.872 0.00 . 2 . . . . . 17 GLU HB3 . 51622 1 189 . 1 . 1 17 17 GLU HG2 H 1 2.247 0.01 . 2 . . . . . 17 GLU HG2 . 51622 1 190 . 1 . 1 17 17 GLU HG3 H 1 2.288 0.01 . 2 . . . . . 17 GLU HG3 . 51622 1 191 . 1 . 1 17 17 GLU C C 13 171.501 0.01 . 1 . . . . . 17 GLU C . 51622 1 192 . 1 . 1 17 17 GLU CA C 13 52.634 0.01 . 1 . . . . . 17 GLU CA . 51622 1 193 . 1 . 1 17 17 GLU CB C 13 27.536 0.00 . 1 . . . . . 17 GLU CB . 51622 1 194 . 1 . 1 17 17 GLU CG C 13 30.552 0.00 . 1 . . . . . 17 GLU CG . 51622 1 195 . 1 . 1 17 17 GLU CD C 13 174.526 0.00 . 1 . . . . . 17 GLU CD . 51622 1 196 . 1 . 1 17 17 GLU N N 15 117.501 0.01 . 1 . . . . . 17 GLU N . 51622 1 197 . 1 . 1 18 18 GLU H H 1 7.809 0.00 . 1 . . . . . 18 GLU HN . 51622 1 198 . 1 . 1 18 18 GLU HA H 1 4.208 0.00 . 1 . . . . . 18 GLU HA . 51622 1 199 . 1 . 1 18 18 GLU HB2 H 1 1.693 0.01 . 2 . . . . . 18 GLU HB2 . 51622 1 200 . 1 . 1 18 18 GLU HB3 H 1 1.833 0.00 . 2 . . . . . 18 GLU HB3 . 51622 1 201 . 1 . 1 18 18 GLU HG2 H 1 2.164 0.00 . 2 . . . . . 18 GLU HG . 51622 1 202 . 1 . 1 18 18 GLU HG3 H 1 2.164 0.00 . 2 . . . . . 18 GLU HG . 51622 1 203 . 1 . 1 18 18 GLU C C 13 171.086 0.00 . 1 . . . . . 18 GLU C . 51622 1 204 . 1 . 1 18 18 GLU CA C 13 52.204 0.01 . 1 . . . . . 18 GLU CA . 51622 1 205 . 1 . 1 18 18 GLU CB C 13 27.989 0.00 . 1 . . . . . 18 GLU CB . 51622 1 206 . 1 . 1 18 18 GLU CG C 13 30.343 0.00 . 1 . . . . . 18 GLU CG . 51622 1 207 . 1 . 1 18 18 GLU CD C 13 174.483 0.00 . 1 . . . . . 18 GLU CD . 51622 1 208 . 1 . 1 18 18 GLU N N 15 116.357 0.01 . 1 . . . . . 18 GLU N . 51622 1 209 . 1 . 1 19 19 TYR H H 1 7.928 0.00 . 1 . . . . . 19 TYR HN . 51622 1 210 . 1 . 1 19 19 TYR HA H 1 4.446 0.00 . 1 . . . . . 19 TYR HA . 51622 1 211 . 1 . 1 19 19 TYR HB2 H 1 2.669 0.00 . 2 . . . . . 19 TYR HB2 . 51622 1 212 . 1 . 1 19 19 TYR HB3 H 1 2.917 0.00 . 2 . . . . . 19 TYR HB3 . 51622 1 213 . 1 . 1 19 19 TYR HD1 H 1 7.017 0.00 . 3 . . . . . 19 TYR HD . 51622 1 214 . 1 . 1 19 19 TYR HD2 H 1 7.017 0.00 . 3 . . . . . 19 TYR HD . 51622 1 215 . 1 . 1 19 19 TYR HE1 H 1 6.623 0.00 . 3 . . . . . 19 TYR HE . 51622 1 216 . 1 . 1 19 19 TYR HE2 H 1 6.623 0.00 . 3 . . . . . 19 TYR HE . 51622 1 217 . 1 . 1 19 19 TYR HH H 1 9.135 0.00 . 1 . . . . . 19 TYR HH . 51622 1 218 . 1 . 1 19 19 TYR C C 13 171.467 0.00 . 1 . . . . . 19 TYR C . 51622 1 219 . 1 . 1 19 19 TYR CA C 13 54.292 0.00 . 1 . . . . . 19 TYR CA . 51622 1 220 . 1 . 1 19 19 TYR CB C 13 36.889 0.00 . 1 . . . . . 19 TYR CB . 51622 1 221 . 1 . 1 19 19 TYR CG C 13 128.120 0.00 . 1 . . . . . 19 TYR CG . 51622 1 222 . 1 . 1 19 19 TYR CD1 C 13 130.455 0.01 . 3 . . . . . 19 TYR CD . 51622 1 223 . 1 . 1 19 19 TYR CD2 C 13 130.455 0.01 . 3 . . . . . 19 TYR CD . 51622 1 224 . 1 . 1 19 19 TYR CE1 C 13 115.323 0.00 . 3 . . . . . 19 TYR CE . 51622 1 225 . 1 . 1 19 19 TYR CE2 C 13 115.323 0.00 . 3 . . . . . 19 TYR CE . 51622 1 226 . 1 . 1 19 19 TYR CZ C 13 156.227 0.00 . 1 . . . . . 19 TYR CZ . 51622 1 227 . 1 . 1 19 19 TYR N N 15 117.243 0.00 . 1 . . . . . 19 TYR N . 51622 1 228 . 1 . 1 20 20 LEU H H 1 8.106 0.00 . 1 . . . . . 20 LEU HN . 51622 1 229 . 1 . 1 20 20 LEU HA H 1 4.224 0.00 . 1 . . . . . 20 LEU HA . 51622 1 230 . 1 . 1 20 20 LEU HB2 H 1 1.499 0.00 . 2 . . . . . 20 LEU HB2 . 51622 1 231 . 1 . 1 20 20 LEU HB3 H 1 1.541 0.01 . 2 . . . . . 20 LEU HB3 . 51622 1 232 . 1 . 1 20 20 LEU HG H 1 1.630 0.00 . 1 . . . . . 20 LEU HG . 51622 1 233 . 1 . 1 20 20 LEU HD11 H 1 0.828 0.00 . 2 . . . . . 20 LEU HD1 . 51622 1 234 . 1 . 1 20 20 LEU HD12 H 1 0.828 0.00 . 2 . . . . . 20 LEU HD1 . 51622 1 235 . 1 . 1 20 20 LEU HD13 H 1 0.828 0.00 . 2 . . . . . 20 LEU HD1 . 51622 1 236 . 1 . 1 20 20 LEU HD21 H 1 0.883 0.00 . 2 . . . . . 20 LEU HD2 . 51622 1 237 . 1 . 1 20 20 LEU HD22 H 1 0.883 0.00 . 2 . . . . . 20 LEU HD2 . 51622 1 238 . 1 . 1 20 20 LEU HD23 H 1 0.883 0.00 . 2 . . . . . 20 LEU HD2 . 51622 1 239 . 1 . 1 20 20 LEU C C 13 174.328 0.00 . 1 . . . . . 20 LEU C . 51622 1 240 . 1 . 1 20 20 LEU CA C 13 50.652 0.01 . 1 . . . . . 20 LEU CA . 51622 1 241 . 1 . 1 20 20 LEU CB C 13 40.446 0.01 . 1 . . . . . 20 LEU CB . 51622 1 242 . 1 . 1 20 20 LEU CG C 13 24.644 0.01 . 1 . . . . . 20 LEU CG . 51622 1 243 . 1 . 1 20 20 LEU CD1 C 13 21.722 0.01 . 2 . . . . . 20 LEU CD1 . 51622 1 244 . 1 . 1 20 20 LEU CD2 C 13 23.343 0.00 . 2 . . . . . 20 LEU CD2 . 51622 1 245 . 1 . 1 20 20 LEU N N 15 118.452 0.01 . 1 . . . . . 20 LEU N . 51622 1 stop_ save_