################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7140 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7140 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 5 5 LEU CA C 13 56.817 0.2 . 1 . . . . 77 LEU CA . 7140 1 2 . 1 1 5 5 LEU CB C 13 41.786 0.2 . 1 . . . . 77 LEU CB . 7140 1 3 . 1 1 6 6 SER H H 1 7.940 0.02 . 1 . . . . 78 SER H . 7140 1 4 . 1 1 6 6 SER CA C 13 59.537 0.2 . 1 . . . . 78 SER CA . 7140 1 5 . 1 1 6 6 SER CB C 13 63.151 0.2 . 1 . . . . 78 SER CB . 7140 1 6 . 1 1 6 6 SER N N 15 112.623 0.1 . 1 . . . . 78 SER N . 7140 1 7 . 1 1 7 7 LEU H H 1 7.674 0.02 . 1 . . . . 79 LEU H . 7140 1 8 . 1 1 7 7 LEU CA C 13 54.904 0.2 . 1 . . . . 79 LEU CA . 7140 1 9 . 1 1 7 7 LEU CB C 13 42.300 0.2 . 1 . . . . 79 LEU CB . 7140 1 10 . 1 1 7 7 LEU N N 15 121.142 0.1 . 1 . . . . 79 LEU N . 7140 1 11 . 1 1 8 8 MET H H 1 7.810 0.02 . 1 . . . . 80 MET H . 7140 1 12 . 1 1 8 8 MET CA C 13 51.584 0.2 . 1 . . . . 80 MET CA . 7140 1 13 . 1 1 8 8 MET N N 15 118.326 0.1 . 1 . . . . 80 MET N . 7140 1 14 . 1 1 9 9 PRO CA C 13 64.837 0.2 . 1 . . . . 81 PRO CA . 7140 1 15 . 1 1 9 9 PRO CB C 13 32.101 0.2 . 1 . . . . 81 PRO CB . 7140 1 16 . 1 1 10 10 TRP H H 1 5.721 0.02 . 1 . . . . 82 TRP H . 7140 1 17 . 1 1 10 10 TRP CA C 13 52.915 0.2 . 1 . . . . 82 TRP CA . 7140 1 18 . 1 1 10 10 TRP CB C 13 30.498 0.2 . 1 . . . . 82 TRP CB . 7140 1 19 . 1 1 10 10 TRP N N 15 107.491 0.1 . 1 . . . . 82 TRP N . 7140 1 20 . 1 1 11 11 PHE H H 1 7.758 0.02 . 1 . . . . 83 PHE H . 7140 1 21 . 1 1 11 11 PHE CA C 13 58.023 0.2 . 1 . . . . 83 PHE CA . 7140 1 22 . 1 1 11 11 PHE CB C 13 39.134 0.2 . 1 . . . . 83 PHE CB . 7140 1 23 . 1 1 11 11 PHE N N 15 124.153 0.1 . 1 . . . . 83 PHE N . 7140 1 24 . 1 1 12 12 HIS H H 1 8.664 0.02 . 1 . . . . 84 HIS H . 7140 1 25 . 1 1 12 12 HIS CA C 13 56.740 0.2 . 1 . . . . 84 HIS CA . 7140 1 26 . 1 1 12 12 HIS CB C 13 33.356 0.2 . 1 . . . . 84 HIS CB . 7140 1 27 . 1 1 12 12 HIS N N 15 126.130 0.1 . 1 . . . . 84 HIS N . 7140 1 28 . 1 1 13 13 GLY H H 1 5.187 0.02 . 1 . . . . 85 GLY H . 7140 1 29 . 1 1 13 13 GLY CA C 13 46.667 0.2 . 1 . . . . 85 GLY CA . 7140 1 30 . 1 1 13 13 GLY N N 15 102.990 0.1 . 1 . . . . 85 GLY N . 7140 1 31 . 1 1 14 14 LYS H H 1 8.539 0.02 . 1 . . . . 86 LYS H . 7140 1 32 . 1 1 14 14 LYS CA C 13 56.170 0.2 . 1 . . . . 86 LYS CA . 7140 1 33 . 1 1 14 14 LYS CB C 13 31.139 0.2 . 1 . . . . 86 LYS CB . 7140 1 34 . 1 1 14 14 LYS N N 15 125.391 0.1 . 1 . . . . 86 LYS N . 7140 1 35 . 1 1 15 15 ILE H H 1 7.690 0.02 . 1 . . . . 87 ILE H . 7140 1 36 . 1 1 15 15 ILE CA C 13 59.671 0.2 . 1 . . . . 87 ILE CA . 7140 1 37 . 1 1 15 15 ILE CB C 13 41.489 0.2 . 1 . . . . 87 ILE CB . 7140 1 38 . 1 1 15 15 ILE N N 15 118.767 0.1 . 1 . . . . 87 ILE N . 7140 1 39 . 1 1 16 16 THR H H 1 8.843 0.02 . 1 . . . . 88 THR H . 7140 1 40 . 1 1 16 16 THR CA C 13 61.186 0.2 . 1 . . . . 88 THR CA . 7140 1 41 . 1 1 16 16 THR CB C 13 71.860 0.2 . 1 . . . . 88 THR CB . 7140 1 42 . 1 1 16 16 THR N N 15 113.540 0.1 . 1 . . . . 88 THR N . 7140 1 43 . 1 1 17 17 ARG H H 1 8.914 0.02 . 1 . . . . 89 ARG H . 7140 1 44 . 1 1 17 17 ARG CA C 13 60.337 0.2 . 1 . . . . 89 ARG CA . 7140 1 45 . 1 1 17 17 ARG CB C 13 30.146 0.2 . 1 . . . . 89 ARG CB . 7140 1 46 . 1 1 17 17 ARG N N 15 121.604 0.1 . 1 . . . . 89 ARG N . 7140 1 47 . 1 1 18 18 GLU H H 1 8.742 0.02 . 1 . . . . 90 GLU H . 7140 1 48 . 1 1 18 18 GLU CA C 13 60.452 0.2 . 1 . . . . 90 GLU CA . 7140 1 49 . 1 1 18 18 GLU CB C 13 28.998 0.2 . 1 . . . . 90 GLU CB . 7140 1 50 . 1 1 18 18 GLU N N 15 117.210 0.1 . 1 . . . . 90 GLU N . 7140 1 51 . 1 1 19 19 GLN H H 1 7.966 0.02 . 1 . . . . 91 GLN H . 7140 1 52 . 1 1 19 19 GLN CA C 13 58.874 0.2 . 1 . . . . 91 GLN CA . 7140 1 53 . 1 1 19 19 GLN CB C 13 28.889 0.2 . 1 . . . . 91 GLN CB . 7140 1 54 . 1 1 19 19 GLN N N 15 119.984 0.1 . 1 . . . . 91 GLN N . 7140 1 55 . 1 1 20 20 ALA H H 1 8.283 0.02 . 1 . . . . 92 ALA H . 7140 1 56 . 1 1 20 20 ALA CA C 13 55.357 0.2 . 1 . . . . 92 ALA CA . 7140 1 57 . 1 1 20 20 ALA CB C 13 19.441 0.2 . 1 . . . . 92 ALA CB . 7140 1 58 . 1 1 20 20 ALA N N 15 121.168 0.1 . 1 . . . . 92 ALA N . 7140 1 59 . 1 1 21 21 GLU H H 1 8.032 0.02 . 1 . . . . 93 GLU H . 7140 1 60 . 1 1 21 21 GLU CA C 13 60.629 0.2 . 1 . . . . 93 GLU CA . 7140 1 61 . 1 1 21 21 GLU CB C 13 28.485 0.2 . 1 . . . . 93 GLU CB . 7140 1 62 . 1 1 21 21 GLU N N 15 113.823 0.1 . 1 . . . . 93 GLU N . 7140 1 63 . 1 1 22 22 ARG H H 1 7.555 0.02 . 1 . . . . 94 ARG H . 7140 1 64 . 1 1 22 22 ARG CA C 13 58.449 0.2 . 1 . . . . 94 ARG CA . 7140 1 65 . 1 1 22 22 ARG CB C 13 30.056 0.2 . 1 . . . . 94 ARG CB . 7140 1 66 . 1 1 22 22 ARG N N 15 117.594 0.1 . 1 . . . . 94 ARG N . 7140 1 67 . 1 1 23 23 LEU H H 1 7.633 0.02 . 1 . . . . 95 LEU H . 7140 1 68 . 1 1 23 23 LEU CA C 13 56.832 0.2 . 1 . . . . 95 LEU CA . 7140 1 69 . 1 1 23 23 LEU CB C 13 43.078 0.2 . 1 . . . . 95 LEU CB . 7140 1 70 . 1 1 23 23 LEU N N 15 118.634 0.1 . 1 . . . . 95 LEU N . 7140 1 71 . 1 1 24 24 LEU H H 1 7.103 0.02 . 1 . . . . 96 LEU H . 7140 1 72 . 1 1 24 24 LEU CA C 13 52.696 0.2 . 1 . . . . 96 LEU CA . 7140 1 73 . 1 1 24 24 LEU CB C 13 39.775 0.2 . 1 . . . . 96 LEU CB . 7140 1 74 . 1 1 24 24 LEU N N 15 120.454 0.1 . 1 . . . . 96 LEU N . 7140 1 75 . 1 1 25 25 TYR H H 1 7.334 0.02 . 1 . . . . 97 TYR H . 7140 1 76 . 1 1 25 25 TYR CA C 13 56.171 0.2 . 1 . . . . 97 TYR CA . 7140 1 77 . 1 1 25 25 TYR CB C 13 42.152 0.2 . 1 . . . . 97 TYR CB . 7140 1 78 . 1 1 25 25 TYR N N 15 120.134 0.1 . 1 . . . . 97 TYR N . 7140 1 79 . 1 1 27 27 PRO CA C 13 63.657 0.2 . 1 . . . . 99 PRO CA . 7140 1 80 . 1 1 27 27 PRO CB C 13 31.945 0.2 . 1 . . . . 99 PRO CB . 7140 1 81 . 1 1 28 28 GLU H H 1 7.210 0.02 . 1 . . . . 100 GLU H . 7140 1 82 . 1 1 28 28 GLU CA C 13 56.002 0.2 . 1 . . . . 100 GLU CA . 7140 1 83 . 1 1 28 28 GLU CB C 13 32.219 0.2 . 1 . . . . 100 GLU CB . 7140 1 84 . 1 1 28 28 GLU N N 15 122.645 0.1 . 1 . . . . 100 GLU N . 7140 1 85 . 1 1 29 29 THR H H 1 8.715 0.02 . 1 . . . . 101 THR H . 7140 1 86 . 1 1 29 29 THR CA C 13 65.533 0.2 . 1 . . . . 101 THR CA . 7140 1 87 . 1 1 29 29 THR CB C 13 68.940 0.2 . 1 . . . . 101 THR CB . 7140 1 88 . 1 1 29 29 THR N N 15 124.095 0.1 . 1 . . . . 101 THR N . 7140 1 89 . 1 1 30 30 GLY H H 1 9.294 0.02 . 1 . . . . 102 GLY H . 7140 1 90 . 1 1 30 30 GLY CA C 13 45.743 0.2 . 1 . . . . 102 GLY CA . 7140 1 91 . 1 1 30 30 GLY N N 15 114.119 0.1 . 1 . . . . 102 GLY N . 7140 1 92 . 1 1 31 31 LEU H H 1 8.130 0.02 . 1 . . . . 103 LEU H . 7140 1 93 . 1 1 31 31 LEU CA C 13 54.881 0.2 . 1 . . . . 103 LEU CA . 7140 1 94 . 1 1 31 31 LEU CB C 13 44.608 0.2 . 1 . . . . 103 LEU CB . 7140 1 95 . 1 1 31 31 LEU N N 15 126.978 0.1 . 1 . . . . 103 LEU N . 7140 1 96 . 1 1 32 32 PHE H H 1 8.333 0.02 . 1 . . . . 104 PHE H . 7140 1 97 . 1 1 32 32 PHE CA C 13 56.060 0.2 . 1 . . . . 104 PHE CA . 7140 1 98 . 1 1 32 32 PHE N N 15 122.656 0.1 . 1 . . . . 104 PHE N . 7140 1 99 . 1 1 33 33 LEU H H 1 9.168 0.02 . 1 . . . . 105 LEU H . 7140 1 100 . 1 1 33 33 LEU CA C 13 54.724 0.2 . 1 . . . . 105 LEU CA . 7140 1 101 . 1 1 33 33 LEU CB C 13 45.054 0.2 . 1 . . . . 105 LEU CB . 7140 1 102 . 1 1 33 33 LEU N N 15 113.722 0.1 . 1 . . . . 105 LEU N . 7140 1 103 . 1 1 34 34 VAL H H 1 9.412 0.02 . 1 . . . . 106 VAL H . 7140 1 104 . 1 1 34 34 VAL CA C 13 61.471 0.2 . 1 . . . . 106 VAL CA . 7140 1 105 . 1 1 34 34 VAL CB C 13 35.252 0.2 . 1 . . . . 106 VAL CB . 7140 1 106 . 1 1 34 34 VAL N N 15 119.632 0.1 . 1 . . . . 106 VAL N . 7140 1 107 . 1 1 35 35 ARG H H 1 9.204 0.02 . 1 . . . . 107 ARG H . 7140 1 108 . 1 1 35 35 ARG CA C 13 52.583 0.2 . 1 . . . . 107 ARG CA . 7140 1 109 . 1 1 35 35 ARG CB C 13 34.736 0.2 . 1 . . . . 107 ARG CB . 7140 1 110 . 1 1 35 35 ARG N N 15 123.246 0.1 . 1 . . . . 107 ARG N . 7140 1 111 . 1 1 36 36 GLU H H 1 8.634 0.02 . 1 . . . . 108 GLU H . 7140 1 112 . 1 1 36 36 GLU CA C 13 54.685 0.2 . 1 . . . . 108 GLU CA . 7140 1 113 . 1 1 36 36 GLU CB C 13 33.260 0.2 . 1 . . . . 108 GLU CB . 7140 1 114 . 1 1 36 36 GLU N N 15 123.623 0.1 . 1 . . . . 108 GLU N . 7140 1 115 . 1 1 37 37 SER H H 1 8.200 0.02 . 1 . . . . 109 SER H . 7140 1 116 . 1 1 37 37 SER CA C 13 58.426 0.2 . 1 . . . . 109 SER CA . 7140 1 117 . 1 1 37 37 SER CB C 13 63.935 0.2 . 1 . . . . 109 SER CB . 7140 1 118 . 1 1 37 37 SER N N 15 116.926 0.1 . 1 . . . . 109 SER N . 7140 1 119 . 1 1 41 41 PRO CA C 13 63.633 0.2 . 1 . . . . 113 PRO CA . 7140 1 120 . 1 1 41 41 PRO CB C 13 31.683 0.2 . 1 . . . . 113 PRO CB . 7140 1 121 . 1 1 42 42 GLY H H 1 9.853 0.02 . 1 . . . . 114 GLY H . 7140 1 122 . 1 1 42 42 GLY CA C 13 44.890 0.2 . 1 . . . . 114 GLY CA . 7140 1 123 . 1 1 42 42 GLY N N 15 113.485 0.1 . 1 . . . . 114 GLY N . 7140 1 124 . 1 1 43 43 ASP H H 1 7.493 0.02 . 1 . . . . 115 ASP H . 7140 1 125 . 1 1 43 43 ASP CA C 13 52.960 0.2 . 1 . . . . 115 ASP CA . 7140 1 126 . 1 1 43 43 ASP CB C 13 41.536 0.2 . 1 . . . . 115 ASP CB . 7140 1 127 . 1 1 43 43 ASP N N 15 119.388 0.1 . 1 . . . . 115 ASP N . 7140 1 128 . 1 1 44 44 TYR H H 1 9.221 0.02 . 1 . . . . 116 TYR H . 7140 1 129 . 1 1 44 44 TYR CA C 13 56.683 0.2 . 1 . . . . 116 TYR CA . 7140 1 130 . 1 1 44 44 TYR CB C 13 42.186 0.2 . 1 . . . . 116 TYR CB . 7140 1 131 . 1 1 44 44 TYR N N 15 124.929 0.1 . 1 . . . . 116 TYR N . 7140 1 132 . 1 1 45 45 THR H H 1 9.178 0.02 . 1 . . . . 117 THR H . 7140 1 133 . 1 1 45 45 THR CA C 13 62.626 0.2 . 1 . . . . 117 THR CA . 7140 1 134 . 1 1 45 45 THR CB C 13 72.536 0.2 . 1 . . . . 117 THR CB . 7140 1 135 . 1 1 45 45 THR N N 15 116.414 0.1 . 1 . . . . 117 THR N . 7140 1 136 . 1 1 46 46 LEU H H 1 9.246 0.02 . 1 . . . . 118 LEU H . 7140 1 137 . 1 1 46 46 LEU CA C 13 54.122 0.2 . 1 . . . . 118 LEU CA . 7140 1 138 . 1 1 46 46 LEU CB C 13 44.316 0.2 . 1 . . . . 118 LEU CB . 7140 1 139 . 1 1 46 46 LEU N N 15 128.928 0.1 . 1 . . . . 118 LEU N . 7140 1 140 . 1 1 47 47 CYS H H 1 9.313 0.02 . 1 . . . . 119 CYS H . 7140 1 141 . 1 1 47 47 CYS CA C 13 57.064 0.2 . 1 . . . . 119 CYS CA . 7140 1 142 . 1 1 47 47 CYS N N 15 128.242 0.1 . 1 . . . . 119 CYS N . 7140 1 143 . 1 1 48 48 VAL H H 1 8.890 0.02 . 1 . . . . 120 VAL H . 7140 1 144 . 1 1 48 48 VAL CA C 13 59.354 0.2 . 1 . . . . 120 VAL CA . 7140 1 145 . 1 1 48 48 VAL CB C 13 36.068 0.2 . 1 . . . . 120 VAL CB . 7140 1 146 . 1 1 48 48 VAL N N 15 121.567 0.1 . 1 . . . . 120 VAL N . 7140 1 147 . 1 1 49 49 SER H H 1 8.933 0.02 . 1 . . . . 121 SER H . 7140 1 148 . 1 1 49 49 SER CA C 13 57.349 0.2 . 1 . . . . 121 SER CA . 7140 1 149 . 1 1 49 49 SER N N 15 121.308 0.1 . 1 . . . . 121 SER N . 7140 1 150 . 1 1 50 50 CYS H H 1 9.421 0.02 . 1 . . . . 122 CYS H . 7140 1 151 . 1 1 50 50 CYS CA C 13 60.800 0.2 . 1 . . . . 122 CYS CA . 7140 1 152 . 1 1 50 50 CYS CB C 13 29.218 0.2 . 1 . . . . 122 CYS CB . 7140 1 153 . 1 1 50 50 CYS N N 15 129.256 0.1 . 1 . . . . 122 CYS N . 7140 1 154 . 1 1 51 51 ASP H H 1 8.965 0.02 . 1 . . . . 123 ASP H . 7140 1 155 . 1 1 51 51 ASP CA C 13 55.962 0.2 . 1 . . . . 123 ASP CA . 7140 1 156 . 1 1 51 51 ASP CB C 13 39.969 0.2 . 1 . . . . 123 ASP CB . 7140 1 157 . 1 1 51 51 ASP N N 15 129.908 0.1 . 1 . . . . 123 ASP N . 7140 1 158 . 1 1 52 52 GLY H H 1 9.126 0.02 . 1 . . . . 124 GLY H . 7140 1 159 . 1 1 52 52 GLY CA C 13 45.497 0.2 . 1 . . . . 124 GLY CA . 7140 1 160 . 1 1 52 52 GLY N N 15 103.971 0.1 . 1 . . . . 124 GLY N . 7140 1 161 . 1 1 53 53 LYS H H 1 7.873 0.02 . 1 . . . . 125 LYS H . 7140 1 162 . 1 1 53 53 LYS CA C 13 54.294 0.2 . 1 . . . . 125 LYS CA . 7140 1 163 . 1 1 53 53 LYS CB C 13 35.248 0.2 . 1 . . . . 125 LYS CB . 7140 1 164 . 1 1 53 53 LYS N N 15 120.817 0.1 . 1 . . . . 125 LYS N . 7140 1 165 . 1 1 54 54 VAL H H 1 8.319 0.02 . 1 . . . . 126 VAL H . 7140 1 166 . 1 1 54 54 VAL CA C 13 62.072 0.2 . 1 . . . . 126 VAL CA . 7140 1 167 . 1 1 54 54 VAL CB C 13 33.009 0.2 . 1 . . . . 126 VAL CB . 7140 1 168 . 1 1 54 54 VAL N N 15 120.152 0.1 . 1 . . . . 126 VAL N . 7140 1 169 . 1 1 55 55 GLU H H 1 8.992 0.02 . 1 . . . . 127 GLU H . 7140 1 170 . 1 1 55 55 GLU CA C 13 54.104 0.2 . 1 . . . . 127 GLU CA . 7140 1 171 . 1 1 55 55 GLU CB C 13 31.405 0.2 . 1 . . . . 127 GLU CB . 7140 1 172 . 1 1 55 55 GLU N N 15 127.996 0.1 . 1 . . . . 127 GLU N . 7140 1 173 . 1 1 56 56 HIS H H 1 8.292 0.02 . 1 . . . . 128 HIS H . 7140 1 174 . 1 1 56 56 HIS CA C 13 55.055 0.2 . 1 . . . . 128 HIS CA . 7140 1 175 . 1 1 56 56 HIS CB C 13 33.059 0.2 . 1 . . . . 128 HIS CB . 7140 1 176 . 1 1 56 56 HIS N N 15 122.091 0.1 . 1 . . . . 128 HIS N . 7140 1 177 . 1 1 57 57 TYR H H 1 9.700 0.02 . 1 . . . . 129 TYR H . 7140 1 178 . 1 1 57 57 TYR CA C 13 57.123 0.2 . 1 . . . . 129 TYR CA . 7140 1 179 . 1 1 57 57 TYR CB C 13 39.719 0.2 . 1 . . . . 129 TYR CB . 7140 1 180 . 1 1 57 57 TYR N N 15 123.995 0.1 . 1 . . . . 129 TYR N . 7140 1 181 . 1 1 58 58 ARG H H 1 8.841 0.02 . 1 . . . . 130 ARG H . 7140 1 182 . 1 1 58 58 ARG CA C 13 57.373 0.2 . 1 . . . . 130 ARG CA . 7140 1 183 . 1 1 58 58 ARG CB C 13 30.705 0.2 . 1 . . . . 130 ARG CB . 7140 1 184 . 1 1 58 58 ARG N N 15 126.974 0.1 . 1 . . . . 130 ARG N . 7140 1 185 . 1 1 59 59 ILE H H 1 8.662 0.02 . 1 . . . . 131 ILE H . 7140 1 186 . 1 1 59 59 ILE CA C 13 61.261 0.2 . 1 . . . . 131 ILE CA . 7140 1 187 . 1 1 59 59 ILE CB C 13 37.518 0.2 . 1 . . . . 131 ILE CB . 7140 1 188 . 1 1 59 59 ILE N N 15 127.070 0.1 . 1 . . . . 131 ILE N . 7140 1 189 . 1 1 60 60 MET H H 1 9.082 0.02 . 1 . . . . 132 MET H . 7140 1 190 . 1 1 60 60 MET CA C 13 54.708 0.2 . 1 . . . . 132 MET CA . 7140 1 191 . 1 1 60 60 MET CB C 13 33.988 0.2 . 1 . . . . 132 MET CB . 7140 1 192 . 1 1 60 60 MET N N 15 128.339 0.1 . 1 . . . . 132 MET N . 7140 1 193 . 1 1 61 61 TYR H H 1 8.668 0.02 . 1 . . . . 133 TYR H . 7140 1 194 . 1 1 61 61 TYR CA C 13 56.657 0.2 . 1 . . . . 133 TYR CA . 7140 1 195 . 1 1 61 61 TYR CB C 13 40.694 0.2 . 1 . . . . 133 TYR CB . 7140 1 196 . 1 1 61 61 TYR N N 15 120.834 0.1 . 1 . . . . 133 TYR N . 7140 1 197 . 1 1 62 62 HIS H H 1 8.963 0.02 . 1 . . . . 134 HIS H . 7140 1 198 . 1 1 62 62 HIS CA C 13 56.618 0.2 . 1 . . . . 134 HIS CA . 7140 1 199 . 1 1 62 62 HIS CB C 13 31.981 0.2 . 1 . . . . 134 HIS CB . 7140 1 200 . 1 1 62 62 HIS N N 15 123.966 0.1 . 1 . . . . 134 HIS N . 7140 1 201 . 1 1 63 63 ALA CA C 13 53.446 0.2 . 1 . . . . 135 ALA CA . 7140 1 202 . 1 1 63 63 ALA CB C 13 16.506 0.2 . 1 . . . . 135 ALA CB . 7140 1 203 . 1 1 64 64 SER H H 1 8.071 0.02 . 1 . . . . 136 SER H . 7140 1 204 . 1 1 64 64 SER CA C 13 60.531 0.2 . 1 . . . . 136 SER CA . 7140 1 205 . 1 1 64 64 SER CB C 13 62.932 0.2 . 1 . . . . 136 SER CB . 7140 1 206 . 1 1 64 64 SER N N 15 108.167 0.1 . 1 . . . . 136 SER N . 7140 1 207 . 1 1 65 65 LYS H H 1 8.029 0.02 . 1 . . . . 137 LYS H . 7140 1 208 . 1 1 65 65 LYS CA C 13 55.299 0.2 . 1 . . . . 137 LYS CA . 7140 1 209 . 1 1 65 65 LYS CB C 13 36.555 0.2 . 1 . . . . 137 LYS CB . 7140 1 210 . 1 1 65 65 LYS N N 15 121.355 0.1 . 1 . . . . 137 LYS N . 7140 1 211 . 1 1 66 66 LEU H H 1 9.035 0.02 . 1 . . . . 138 LEU H . 7140 1 212 . 1 1 66 66 LEU CA C 13 54.055 0.2 . 1 . . . . 138 LEU CA . 7140 1 213 . 1 1 66 66 LEU CB C 13 45.976 0.2 . 1 . . . . 138 LEU CB . 7140 1 214 . 1 1 66 66 LEU N N 15 118.932 0.1 . 1 . . . . 138 LEU N . 7140 1 215 . 1 1 67 67 SER H H 1 8.808 0.02 . 1 . . . . 139 SER H . 7140 1 216 . 1 1 67 67 SER CA C 13 58.596 0.2 . 1 . . . . 139 SER CA . 7140 1 217 . 1 1 67 67 SER N N 15 112.296 0.1 . 1 . . . . 139 SER N . 7140 1 218 . 1 1 68 68 ILE H H 1 9.810 0.02 . 1 . . . . 140 ILE H . 7140 1 219 . 1 1 68 68 ILE CA C 13 62.867 0.2 . 1 . . . . 140 ILE CA . 7140 1 220 . 1 1 68 68 ILE CB C 13 39.781 0.2 . 1 . . . . 140 ILE CB . 7140 1 221 . 1 1 68 68 ILE N N 15 124.245 0.1 . 1 . . . . 140 ILE N . 7140 1 222 . 1 1 69 69 ASP H H 1 8.175 0.02 . 1 . . . . 141 ASP H . 7140 1 223 . 1 1 69 69 ASP CA C 13 53.459 0.2 . 1 . . . . 141 ASP CA . 7140 1 224 . 1 1 69 69 ASP CB C 13 42.099 0.2 . 1 . . . . 141 ASP CB . 7140 1 225 . 1 1 69 69 ASP N N 15 118.961 0.1 . 1 . . . . 141 ASP N . 7140 1 226 . 1 1 70 70 GLU H H 1 8.485 0.02 . 1 . . . . 142 GLU H . 7140 1 227 . 1 1 70 70 GLU CA C 13 59.027 0.2 . 1 . . . . 142 GLU CA . 7140 1 228 . 1 1 70 70 GLU CB C 13 27.834 0.2 . 1 . . . . 142 GLU CB . 7140 1 229 . 1 1 70 70 GLU N N 15 114.101 0.1 . 1 . . . . 142 GLU N . 7140 1 230 . 1 1 71 71 GLU H H 1 8.444 0.02 . 1 . . . . 143 GLU H . 7140 1 231 . 1 1 71 71 GLU CA C 13 57.514 0.2 . 1 . . . . 143 GLU CA . 7140 1 232 . 1 1 71 71 GLU CB C 13 32.003 0.2 . 1 . . . . 143 GLU CB . 7140 1 233 . 1 1 71 71 GLU N N 15 118.591 0.1 . 1 . . . . 143 GLU N . 7140 1 234 . 1 1 72 72 VAL H H 1 9.306 0.02 . 1 . . . . 144 VAL H . 7140 1 235 . 1 1 72 72 VAL CA C 13 61.489 0.2 . 1 . . . . 144 VAL CA . 7140 1 236 . 1 1 72 72 VAL CB C 13 32.821 0.2 . 1 . . . . 144 VAL CB . 7140 1 237 . 1 1 72 72 VAL N N 15 122.945 0.1 . 1 . . . . 144 VAL N . 7140 1 238 . 1 1 73 73 TYR H H 1 8.323 0.02 . 1 . . . . 145 TYR H . 7140 1 239 . 1 1 73 73 TYR CA C 13 56.295 0.2 . 1 . . . . 145 TYR CA . 7140 1 240 . 1 1 73 73 TYR N N 15 127.173 0.1 . 1 . . . . 145 TYR N . 7140 1 241 . 1 1 74 74 PHE H H 1 9.403 0.02 . 1 . . . . 146 PHE H . 7140 1 242 . 1 1 74 74 PHE CA C 13 56.413 0.2 . 1 . . . . 146 PHE CA . 7140 1 243 . 1 1 74 74 PHE CB C 13 43.985 0.2 . 1 . . . . 146 PHE CB . 7140 1 244 . 1 1 74 74 PHE N N 15 117.109 0.1 . 1 . . . . 146 PHE N . 7140 1 245 . 1 1 75 75 GLU H H 1 8.989 0.02 . 1 . . . . 147 GLU H . 7140 1 246 . 1 1 75 75 GLU CA C 13 58.260 0.2 . 1 . . . . 147 GLU CA . 7140 1 247 . 1 1 75 75 GLU CB C 13 31.113 0.2 . 1 . . . . 147 GLU CB . 7140 1 248 . 1 1 75 75 GLU N N 15 118.666 0.1 . 1 . . . . 147 GLU N . 7140 1 249 . 1 1 76 76 ASN H H 1 7.525 0.02 . 1 . . . . 148 ASN H . 7140 1 250 . 1 1 76 76 ASN CA C 13 52.266 0.2 . 1 . . . . 148 ASN CA . 7140 1 251 . 1 1 76 76 ASN CB C 13 40.451 0.2 . 1 . . . . 148 ASN CB . 7140 1 252 . 1 1 76 76 ASN N N 15 107.894 0.1 . 1 . . . . 148 ASN N . 7140 1 253 . 1 1 77 77 LEU H H 1 9.085 0.02 . 1 . . . . 149 LEU H . 7140 1 254 . 1 1 77 77 LEU CA C 13 57.335 0.2 . 1 . . . . 149 LEU CA . 7140 1 255 . 1 1 77 77 LEU CB C 13 43.702 0.2 . 1 . . . . 149 LEU CB . 7140 1 256 . 1 1 77 77 LEU N N 15 118.456 0.1 . 1 . . . . 149 LEU N . 7140 1 257 . 1 1 78 78 MET H H 1 8.266 0.02 . 1 . . . . 150 MET H . 7140 1 258 . 1 1 78 78 MET CA C 13 60.646 0.2 . 1 . . . . 150 MET CA . 7140 1 259 . 1 1 78 78 MET CB C 13 31.104 0.2 . 1 . . . . 150 MET CB . 7140 1 260 . 1 1 78 78 MET N N 15 118.655 0.1 . 1 . . . . 150 MET N . 7140 1 261 . 1 1 79 79 GLN H H 1 8.373 0.02 . 1 . . . . 151 GLN H . 7140 1 262 . 1 1 79 79 GLN CA C 13 58.464 0.2 . 1 . . . . 151 GLN CA . 7140 1 263 . 1 1 79 79 GLN CB C 13 29.728 0.2 . 1 . . . . 151 GLN CB . 7140 1 264 . 1 1 79 79 GLN N N 15 118.759 0.1 . 1 . . . . 151 GLN N . 7140 1 265 . 1 1 80 80 LEU H H 1 6.876 0.02 . 1 . . . . 152 LEU H . 7140 1 266 . 1 1 80 80 LEU CA C 13 58.861 0.2 . 1 . . . . 152 LEU CA . 7140 1 267 . 1 1 80 80 LEU N N 15 121.954 0.1 . 1 . . . . 152 LEU N . 7140 1 268 . 1 1 81 81 VAL H H 1 7.947 0.02 . 1 . . . . 153 VAL H . 7140 1 269 . 1 1 81 81 VAL CA C 13 66.983 0.2 . 1 . . . . 153 VAL CA . 7140 1 270 . 1 1 81 81 VAL CB C 13 31.468 0.2 . 1 . . . . 153 VAL CB . 7140 1 271 . 1 1 81 81 VAL N N 15 119.476 0.1 . 1 . . . . 153 VAL N . 7140 1 272 . 1 1 82 82 GLU H H 1 8.184 0.02 . 1 . . . . 154 GLU H . 7140 1 273 . 1 1 82 82 GLU CA C 13 59.925 0.2 . 1 . . . . 154 GLU CA . 7140 1 274 . 1 1 82 82 GLU CB C 13 29.505 0.2 . 1 . . . . 154 GLU CB . 7140 1 275 . 1 1 82 82 GLU N N 15 120.318 0.1 . 1 . . . . 154 GLU N . 7140 1 276 . 1 1 83 83 HIS H H 1 7.801 0.02 . 1 . . . . 155 HIS H . 7140 1 277 . 1 1 83 83 HIS CA C 13 60.600 0.2 . 1 . . . . 155 HIS CA . 7140 1 278 . 1 1 83 83 HIS N N 15 119.753 0.1 . 1 . . . . 155 HIS N . 7140 1 279 . 1 1 84 84 TYR H H 1 7.366 0.02 . 1 . . . . 156 TYR H . 7140 1 280 . 1 1 84 84 TYR CA C 13 60.375 0.2 . 1 . . . . 156 TYR CA . 7140 1 281 . 1 1 84 84 TYR CB C 13 37.705 0.2 . 1 . . . . 156 TYR CB . 7140 1 282 . 1 1 84 84 TYR N N 15 115.520 0.1 . 1 . . . . 156 TYR N . 7140 1 283 . 1 1 85 85 THR H H 1 7.542 0.02 . 1 . . . . 157 THR H . 7140 1 284 . 1 1 85 85 THR CA C 13 64.335 0.2 . 1 . . . . 157 THR CA . 7140 1 285 . 1 1 85 85 THR CB C 13 69.409 0.2 . 1 . . . . 157 THR CB . 7140 1 286 . 1 1 85 85 THR N N 15 115.088 0.1 . 1 . . . . 157 THR N . 7140 1 287 . 1 1 86 86 SER H H 1 7.181 0.02 . 1 . . . . 158 SER H . 7140 1 288 . 1 1 86 86 SER CA C 13 60.237 0.2 . 1 . . . . 158 SER CA . 7140 1 289 . 1 1 86 86 SER N N 15 116.659 0.1 . 1 . . . . 158 SER N . 7140 1 290 . 1 1 87 87 ASP H H 1 7.523 0.02 . 1 . . . . 159 ASP H . 7140 1 291 . 1 1 87 87 ASP CA C 13 53.813 0.2 . 1 . . . . 159 ASP CA . 7140 1 292 . 1 1 87 87 ASP CB C 13 44.495 0.2 . 1 . . . . 159 ASP CB . 7140 1 293 . 1 1 87 87 ASP N N 15 119.626 0.1 . 1 . . . . 159 ASP N . 7140 1 294 . 1 1 88 88 ALA H H 1 8.218 0.02 . 1 . . . . 160 ALA H . 7140 1 295 . 1 1 88 88 ALA CA C 13 54.963 0.2 . 1 . . . . 160 ALA CA . 7140 1 296 . 1 1 88 88 ALA CB C 13 18.812 0.2 . 1 . . . . 160 ALA CB . 7140 1 297 . 1 1 88 88 ALA N N 15 124.036 0.1 . 1 . . . . 160 ALA N . 7140 1 298 . 1 1 89 89 ASP H H 1 8.120 0.02 . 1 . . . . 161 ASP H . 7140 1 299 . 1 1 89 89 ASP CA C 13 54.721 0.2 . 1 . . . . 161 ASP CA . 7140 1 300 . 1 1 89 89 ASP CB C 13 40.926 0.2 . 1 . . . . 161 ASP CB . 7140 1 301 . 1 1 89 89 ASP N N 15 112.472 0.1 . 1 . . . . 161 ASP N . 7140 1 302 . 1 1 90 90 GLY H H 1 8.236 0.02 . 1 . . . . 162 GLY H . 7140 1 303 . 1 1 90 90 GLY CA C 13 45.114 0.2 . 1 . . . . 162 GLY CA . 7140 1 304 . 1 1 90 90 GLY N N 15 105.492 0.1 . 1 . . . . 162 GLY N . 7140 1 305 . 1 1 91 91 LEU H H 1 8.321 0.02 . 1 . . . . 163 LEU H . 7140 1 306 . 1 1 91 91 LEU CA C 13 54.315 0.2 . 1 . . . . 163 LEU CA . 7140 1 307 . 1 1 91 91 LEU CB C 13 42.248 0.2 . 1 . . . . 163 LEU CB . 7140 1 308 . 1 1 91 91 LEU N N 15 120.416 0.1 . 1 . . . . 163 LEU N . 7140 1 309 . 1 1 92 92 CYS H H 1 7.571 0.02 . 1 . . . . 164 CYS H . 7140 1 310 . 1 1 92 92 CYS CA C 13 58.606 0.2 . 1 . . . . 164 CYS CA . 7140 1 311 . 1 1 92 92 CYS N N 15 115.142 0.1 . 1 . . . . 164 CYS N . 7140 1 312 . 1 1 93 93 THR H H 1 7.171 0.02 . 1 . . . . 165 THR H . 7140 1 313 . 1 1 93 93 THR CA C 13 59.653 0.2 . 1 . . . . 165 THR CA . 7140 1 314 . 1 1 93 93 THR CB C 13 68.954 0.2 . 1 . . . . 165 THR CB . 7140 1 315 . 1 1 93 93 THR N N 15 114.771 0.1 . 1 . . . . 165 THR N . 7140 1 316 . 1 1 94 94 ARG H H 1 7.510 0.02 . 1 . . . . 166 ARG H . 7140 1 317 . 1 1 94 94 ARG CA C 13 56.410 0.2 . 1 . . . . 166 ARG CA . 7140 1 318 . 1 1 94 94 ARG CB C 13 30.920 0.2 . 1 . . . . 166 ARG CB . 7140 1 319 . 1 1 94 94 ARG N N 15 121.703 0.1 . 1 . . . . 166 ARG N . 7140 1 320 . 1 1 95 95 LEU H H 1 7.930 0.02 . 1 . . . . 167 LEU H . 7140 1 321 . 1 1 95 95 LEU CA C 13 54.516 0.2 . 1 . . . . 167 LEU CA . 7140 1 322 . 1 1 95 95 LEU CB C 13 38.260 0.2 . 1 . . . . 167 LEU CB . 7140 1 323 . 1 1 95 95 LEU N N 15 121.837 0.1 . 1 . . . . 167 LEU N . 7140 1 324 . 1 1 96 96 ILE H H 1 8.519 0.02 . 1 . . . . 168 ILE H . 7140 1 325 . 1 1 96 96 ILE CA C 13 62.790 0.2 . 1 . . . . 168 ILE CA . 7140 1 326 . 1 1 96 96 ILE CB C 13 39.805 0.2 . 1 . . . . 168 ILE CB . 7140 1 327 . 1 1 96 96 ILE N N 15 121.749 0.1 . 1 . . . . 168 ILE N . 7140 1 328 . 1 1 97 97 LYS H H 1 7.803 0.02 . 1 . . . . 169 LYS H . 7140 1 329 . 1 1 97 97 LYS CA C 13 52.712 0.2 . 1 . . . . 169 LYS CA . 7140 1 330 . 1 1 97 97 LYS CB C 13 35.832 0.2 . 1 . . . . 169 LYS CB . 7140 1 331 . 1 1 97 97 LYS N N 15 120.482 0.1 . 1 . . . . 169 LYS N . 7140 1 332 . 1 1 98 98 PRO CA C 13 61.435 0.2 . 1 . . . . 170 PRO CA . 7140 1 333 . 1 1 98 98 PRO CB C 13 32.550 0.2 . 1 . . . . 170 PRO CB . 7140 1 334 . 1 1 99 99 LYS H H 1 8.758 0.02 . 1 . . . . 171 LYS H . 7140 1 335 . 1 1 99 99 LYS CA C 13 53.856 0.2 . 1 . . . . 171 LYS CA . 7140 1 336 . 1 1 99 99 LYS CB C 13 30.915 0.2 . 1 . . . . 171 LYS CB . 7140 1 337 . 1 1 99 99 LYS N N 15 124.857 0.1 . 1 . . . . 171 LYS N . 7140 1 338 . 1 1 100 100 VAL H H 1 8.159 0.02 . 1 . . . . 172 VAL H . 7140 1 339 . 1 1 100 100 VAL CA C 13 62.416 0.2 . 1 . . . . 172 VAL CA . 7140 1 340 . 1 1 100 100 VAL CB C 13 32.564 0.2 . 1 . . . . 172 VAL CB . 7140 1 341 . 1 1 100 100 VAL N N 15 126.831 0.1 . 1 . . . . 172 VAL N . 7140 1 342 . 1 1 101 101 MET H H 1 8.389 0.02 . 1 . . . . 173 MET H . 7140 1 343 . 1 1 101 101 MET CA C 13 56.378 0.2 . 1 . . . . 173 MET CA . 7140 1 344 . 1 1 101 101 MET CB C 13 32.183 0.2 . 1 . . . . 173 MET CB . 7140 1 345 . 1 1 101 101 MET N N 15 125.689 0.1 . 1 . . . . 173 MET N . 7140 1 346 . 1 1 102 102 GLU H H 1 8.542 0.02 . 1 . . . . 174 GLU H . 7140 1 347 . 1 1 102 102 GLU CA C 13 56.461 0.2 . 1 . . . . 174 GLU CA . 7140 1 348 . 1 1 102 102 GLU CB C 13 30.638 0.2 . 1 . . . . 174 GLU CB . 7140 1 349 . 1 1 102 102 GLU N N 15 125.400 0.1 . 1 . . . . 174 GLU N . 7140 1 350 . 1 1 103 103 GLY H H 1 8.387 0.02 . 1 . . . . 175 GLY H . 7140 1 351 . 1 1 103 103 GLY CA C 13 45.030 0.2 . 1 . . . . 175 GLY CA . 7140 1 352 . 1 1 103 103 GLY N N 15 110.603 0.1 . 1 . . . . 175 GLY N . 7140 1 353 . 1 1 104 104 THR H H 1 8.043 0.02 . 1 . . . . 176 THR H . 7140 1 354 . 1 1 104 104 THR CA C 13 62.019 0.2 . 1 . . . . 176 THR CA . 7140 1 355 . 1 1 104 104 THR CB C 13 70.299 0.2 . 1 . . . . 176 THR CB . 7140 1 356 . 1 1 104 104 THR N N 15 114.439 0.1 . 1 . . . . 176 THR N . 7140 1 357 . 1 1 105 105 VAL H H 1 8.242 0.02 . 1 . . . . 177 VAL H . 7140 1 358 . 1 1 105 105 VAL CA C 13 62.337 0.2 . 1 . . . . 177 VAL CA . 7140 1 359 . 1 1 105 105 VAL CB C 13 32.922 0.2 . 1 . . . . 177 VAL CB . 7140 1 360 . 1 1 105 105 VAL N N 15 123.338 0.1 . 1 . . . . 177 VAL N . 7140 1 361 . 1 1 106 106 ALA H H 1 7.999 0.02 . 1 . . . . 178 ALA H . 7140 1 362 . 1 1 106 106 ALA CA C 13 53.815 0.2 . 1 . . . . 178 ALA CA . 7140 1 363 . 1 1 106 106 ALA N N 15 133.822 0.1 . 1 . . . . 178 ALA N . 7140 1 stop_ save_