################################### # 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 51899 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CAHS motif 1 and motif 2' _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 2 '3D HNCO' . . . 51899 1 3 '3D HN(CA)CO' . . . 51899 1 4 '3D CBCA(CO)NH' . . . 51899 1 5 '3D HNCACB' . . . 51899 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 . . 51899 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 19 19 ALA C C 13 175.738 0.01 . . . . . . . 120 ALA CO . 51899 1 2 . 1 . 1 19 19 ALA CA C 13 50.551 0.02 . . . . . . . 120 ALA CA . 51899 1 3 . 1 . 1 19 19 ALA CB C 13 16.343 0.00 . . . . . . . 120 ALA CB . 51899 1 4 . 1 . 1 20 20 THR H H 1 7.982 0.00 . . . . . . . 121 THR H . 51899 1 5 . 1 . 1 20 20 THR C C 13 172.815 0.00 . . . . . . . 121 THR CO . 51899 1 6 . 1 . 1 20 20 THR CA C 13 60.387 0.16 . . . . . . . 121 THR CA . 51899 1 7 . 1 . 1 20 20 THR CB C 13 67.084 0.04 . . . . . . . 121 THR CB . 51899 1 8 . 1 . 1 20 20 THR N N 15 112.665 0.01 . . . . . . . 121 THR N . 51899 1 9 . 1 . 1 21 21 GLU H H 1 8.333 0.00 . . . . . . . 122 GLU H . 51899 1 10 . 1 . 1 21 21 GLU C C 13 174.788 0.00 . . . . . . . 122 GLU CO . 51899 1 11 . 1 . 1 21 21 GLU CA C 13 55.332 0.11 . . . . . . . 122 GLU CA . 51899 1 12 . 1 . 1 21 21 GLU CB C 13 27.037 0.11 . . . . . . . 122 GLU CB . 51899 1 13 . 1 . 1 21 21 GLU N N 15 122.544 0.13 . . . . . . . 122 GLU N . 51899 1 14 . 1 . 1 22 22 ALA H H 1 8.152 0.00 . . . . . . . 123 ALA H . 51899 1 15 . 1 . 1 22 22 ALA C C 13 176.496 0.00 . . . . . . . 123 ALA CO . 51899 1 16 . 1 . 1 22 22 ALA CA C 13 51.503 0.03 . . . . . . . 123 ALA CA . 51899 1 17 . 1 . 1 22 22 ALA CB C 13 15.756 0.01 . . . . . . . 123 ALA CB . 51899 1 18 . 1 . 1 22 22 ALA N N 15 122.470 0.01 . . . . . . . 123 ALA N . 51899 1 19 . 1 . 1 23 23 TYR H H 1 7.905 0.00 . . . . . . . 124 TYR H . 51899 1 20 . 1 . 1 23 23 TYR C C 13 174.192 0.00 . . . . . . . 124 TYR CO . 51899 1 21 . 1 . 1 23 23 TYR CA C 13 56.989 0.02 . . . . . . . 124 TYR CA . 51899 1 22 . 1 . 1 23 23 TYR CB C 13 35.553 0.07 . . . . . . . 124 TYR CB . 51899 1 23 . 1 . 1 23 23 TYR N N 15 119.043 0.02 . . . . . . . 124 TYR N . 51899 1 24 . 1 . 1 24 24 ARG H H 1 7.965 0.00 . . . . . . . 125 ARG H . 51899 1 25 . 1 . 1 24 24 ARG C C 13 175.200 0.00 . . . . . . . 125 ARG CO . 51899 1 26 . 1 . 1 24 24 ARG CA C 13 55.350 0.00 . . . . . . . 125 ARG CA . 51899 1 27 . 1 . 1 24 24 ARG CB C 13 27.584 0.00 . . . . . . . 125 ARG CB . 51899 1 28 . 1 . 1 24 24 ARG N N 15 121.125 0.01 . . . . . . . 125 ARG N . 51899 1 29 . 1 . 1 25 25 LYS H H 1 8.145 0.00 . . . . . . . 126 LYS H . 51899 1 30 . 1 . 1 25 25 LYS C C 13 175.263 0.00 . . . . . . . 126 LYS CO . 51899 1 31 . 1 . 1 25 25 LYS CA C 13 55.230 0.02 . . . . . . . 126 LYS CA . 51899 1 32 . 1 . 1 25 25 LYS CB C 13 29.541 0.03 . . . . . . . 126 LYS CB . 51899 1 33 . 1 . 1 25 25 LYS N N 15 120.401 0.05 . . . . . . . 126 LYS N . 51899 1 34 . 1 . 1 26 26 GLN H H 1 8.025 0.00 . . . . . . . 127 GLN H . 51899 1 35 . 1 . 1 26 26 GLN C C 13 174.892 0.00 . . . . . . . 127 GLN CO . 51899 1 36 . 1 . 1 26 26 GLN CA C 13 55.107 0.06 . . . . . . . 127 GLN CA . 51899 1 37 . 1 . 1 26 26 GLN CB C 13 27.698 2.01 . . . . . . . 127 GLN CB . 51899 1 38 . 1 . 1 26 26 GLN N N 15 120.114 0.04 . . . . . . . 127 GLN N . 51899 1 39 . 1 . 1 27 27 GLN H H 1 8.146 0.00 . . . . . . . 128 GLN H . 51899 1 40 . 1 . 1 27 27 GLN C C 13 175.161 0.00 . . . . . . . 128 GLN CO . 51899 1 41 . 1 . 1 27 27 GLN CA C 13 54.904 0.08 . . . . . . . 128 GLN CA . 51899 1 42 . 1 . 1 27 27 GLN CB C 13 26.066 0.04 . . . . . . . 128 GLN CB . 51899 1 43 . 1 . 1 27 27 GLN N N 15 119.142 0.01 . . . . . . . 128 GLN N . 51899 1 44 . 1 . 1 28 28 GLU H H 1 8.035 0.00 . . . . . . . 129 GLU H . 51899 1 45 . 1 . 1 28 28 GLU C C 13 175.380 0.00 . . . . . . . 129 GLU CO . 51899 1 46 . 1 . 1 28 28 GLU CA C 13 55.606 0.10 . . . . . . . 129 GLU CA . 51899 1 47 . 1 . 1 28 28 GLU CB C 13 26.955 0.11 . . . . . . . 129 GLU CB . 51899 1 48 . 1 . 1 28 28 GLU N N 15 121.360 0.01 . . . . . . . 129 GLU N . 51899 1 49 . 1 . 1 29 29 VAL H H 1 7.981 0.00 . . . . . . . 130 VAL H . 51899 1 50 . 1 . 1 29 29 VAL C C 13 175.635 0.01 . . . . . . . 130 VAL CO . 51899 1 51 . 1 . 1 29 29 VAL CA C 13 62.043 0.03 . . . . . . . 130 VAL CA . 51899 1 52 . 1 . 1 29 29 VAL CB C 13 29.425 0.08 . . . . . . . 130 VAL CB . 51899 1 53 . 1 . 1 29 29 VAL N N 15 120.721 0.04 . . . . . . . 130 VAL N . 51899 1 54 . 1 . 1 30 30 GLU H H 1 8.153 0.00 . . . . . . . 131 GLU H . 51899 1 55 . 1 . 1 30 30 GLU C C 13 175.396 0.00 . . . . . . . 131 GLU CO . 51899 1 56 . 1 . 1 30 30 GLU CA C 13 55.789 0.00 . . . . . . . 131 GLU CA . 51899 1 57 . 1 . 1 30 30 GLU CB C 13 26.671 0.04 . . . . . . . 131 GLU CB . 51899 1 58 . 1 . 1 30 30 GLU N N 15 121.689 0.02 . . . . . . . 131 GLU N . 51899 1 59 . 1 . 1 31 31 ALA H H 1 8.127 0.00 . . . . . . . 132 ALA H . 51899 1 60 . 1 . 1 31 31 ALA C C 13 177.187 0.00 . . . . . . . 132 ALA CO . 51899 1 61 . 1 . 1 31 31 ALA CA C 13 52.009 0.04 . . . . . . . 132 ALA CA . 51899 1 62 . 1 . 1 31 31 ALA CB C 13 15.628 0.03 . . . . . . . 132 ALA CB . 51899 1 63 . 1 . 1 31 31 ALA N N 15 122.194 0.02 . . . . . . . 132 ALA N . 51899 1 64 . 1 . 1 32 32 ASP H H 1 8.059 0.00 . . . . . . . 133 ASP H . 51899 1 65 . 1 . 1 32 32 ASP C C 13 174.795 0.00 . . . . . . . 133 ASP CO . 51899 1 66 . 1 . 1 32 32 ASP CA C 13 53.893 0.01 . . . . . . . 133 ASP CA . 51899 1 67 . 1 . 1 32 32 ASP CB C 13 38.444 0.04 . . . . . . . 133 ASP CB . 51899 1 68 . 1 . 1 32 32 ASP N N 15 118.796 0.01 . . . . . . . 133 ASP N . 51899 1 69 . 1 . 1 33 33 LYS H H 1 7.793 0.00 . . . . . . . 134 LYS H . 51899 1 70 . 1 . 1 33 33 LYS C C 13 176.267 0.00 . . . . . . . 134 LYS CO . 51899 1 71 . 1 . 1 33 33 LYS CA C 13 56.570 0.02 . . . . . . . 134 LYS CA . 51899 1 72 . 1 . 1 33 33 LYS CB C 13 29.799 0.04 . . . . . . . 134 LYS CB . 51899 1 73 . 1 . 1 33 33 LYS N N 15 120.149 0.01 . . . . . . . 134 LYS N . 51899 1 74 . 1 . 1 34 34 ILE H H 1 7.788 0.00 . . . . . . . 135 ILE H . 51899 1 75 . 1 . 1 34 34 ILE C C 13 175.209 0.00 . . . . . . . 135 ILE CO . 51899 1 76 . 1 . 1 34 34 ILE CA C 13 60.974 0.03 . . . . . . . 135 ILE CA . 51899 1 77 . 1 . 1 34 34 ILE CB C 13 35.307 0.07 . . . . . . . 135 ILE CB . 51899 1 78 . 1 . 1 34 34 ILE N N 15 119.711 0.02 . . . . . . . 135 ILE N . 51899 1 79 . 1 . 1 35 35 ARG H H 1 7.936 0.00 . . . . . . . 136 ARG H . 51899 1 80 . 1 . 1 35 35 ARG C C 13 175.975 0.00 . . . . . . . 136 ARG CO . 51899 1 81 . 1 . 1 35 35 ARG CA C 13 56.416 0.02 . . . . . . . 136 ARG CA . 51899 1 82 . 1 . 1 35 35 ARG CB C 13 27.307 0.01 . . . . . . . 136 ARG CB . 51899 1 83 . 1 . 1 35 35 ARG N N 15 121.111 0.01 . . . . . . . 136 ARG N . 51899 1 84 . 1 . 1 36 36 LYS H H 1 8.122 0.00 . . . . . . . 137 LYS H . 51899 1 85 . 1 . 1 36 36 LYS C C 13 176.305 0.00 . . . . . . . 137 LYS CO . 51899 1 86 . 1 . 1 36 36 LYS CA C 13 56.129 0.01 . . . . . . . 137 LYS CA . 51899 1 87 . 1 . 1 36 36 LYS CB C 13 29.651 0.02 . . . . . . . 137 LYS CB . 51899 1 88 . 1 . 1 36 36 LYS N N 15 119.343 0.02 . . . . . . . 137 LYS N . 51899 1 89 . 1 . 1 37 37 GLU H H 1 7.988 0.00 . . . . . . . 138 GLU H . 51899 1 90 . 1 . 1 37 37 GLU C C 13 176.105 0.00 . . . . . . . 138 GLU CO . 51899 1 91 . 1 . 1 37 37 GLU CA C 13 55.933 0.09 . . . . . . . 138 GLU CA . 51899 1 92 . 1 . 1 37 37 GLU CB C 13 26.493 0.10 . . . . . . . 138 GLU CB . 51899 1 93 . 1 . 1 37 37 GLU N N 15 120.316 0.02 . . . . . . . 138 GLU N . 51899 1 94 . 1 . 1 38 38 LEU H H 1 8.094 0.00 . . . . . . . 139 LEU H . 51899 1 95 . 1 . 1 38 38 LEU C C 13 176.736 0.01 . . . . . . . 139 LEU CO . 51899 1 96 . 1 . 1 38 38 LEU CA C 13 54.517 0.03 . . . . . . . 139 LEU CA . 51899 1 97 . 1 . 1 38 38 LEU CB C 13 38.625 0.35 . . . . . . . 139 LEU CB . 51899 1 98 . 1 . 1 38 38 LEU N N 15 121.025 0.02 . . . . . . . 139 LEU N . 51899 1 99 . 1 . 1 39 39 GLU H H 1 8.025 0.00 . . . . . . . 140 GLU H . 51899 1 100 . 1 . 1 39 39 GLU C C 13 175.644 0.01 . . . . . . . 140 GLU CO . 51899 1 101 . 1 . 1 39 39 GLU CA C 13 55.819 0.00 . . . . . . . 140 GLU CA . 51899 1 102 . 1 . 1 39 39 GLU CB C 13 27.001 0.05 . . . . . . . 140 GLU CB . 51899 1 103 . 1 . 1 39 39 GLU N N 15 119.817 0.10 . . . . . . . 140 GLU N . 51899 1 104 . 1 . 1 40 40 LYS H H 1 7.770 0.00 . . . . . . . 141 LYS H . 51899 1 105 . 1 . 1 40 40 LYS C C 13 175.443 0.00 . . . . . . . 141 LYS CO . 51899 1 106 . 1 . 1 40 40 LYS CA C 13 55.602 0.05 . . . . . . . 141 LYS CA . 51899 1 107 . 1 . 1 40 40 LYS CB C 13 29.756 0.02 . . . . . . . 141 LYS CB . 51899 1 108 . 1 . 1 40 40 LYS N N 15 119.424 0.01 . . . . . . . 141 LYS N . 51899 1 109 . 1 . 1 41 41 GLN H H 1 7.938 0.00 . . . . . . . 142 GLN H . 51899 1 110 . 1 . 1 41 41 GLN C C 13 174.155 0.00 . . . . . . . 142 GLN CO . 51899 1 111 . 1 . 1 41 41 GLN CA C 13 54.649 0.09 . . . . . . . 142 GLN CA . 51899 1 112 . 1 . 1 41 41 GLN CB C 13 26.010 0.01 . . . . . . . 142 GLN CB . 51899 1 113 . 1 . 1 41 41 GLN N N 15 118.661 0.01 . . . . . . . 142 GLN N . 51899 1 114 . 1 . 1 42 42 HIS H H 1 8.141 0.00 . . . . . . . 143 HIS H . 51899 1 115 . 1 . 1 42 42 HIS C C 13 172.729 0.00 . . . . . . . 143 HIS CO . 51899 1 116 . 1 . 1 42 42 HIS CA C 13 53.978 0.04 . . . . . . . 143 HIS CA . 51899 1 117 . 1 . 1 42 42 HIS CB C 13 25.924 0.03 . . . . . . . 143 HIS CB . 51899 1 118 . 1 . 1 42 42 HIS N N 15 117.800 0.01 . . . . . . . 143 HIS N . 51899 1 119 . 1 . 1 43 43 LEU H H 1 7.938 0.00 . . . . . . . 144 LEU H . 51899 1 120 . 1 . 1 43 43 LEU C C 13 175.305 0.00 . . . . . . . 144 LEU CO . 51899 1 121 . 1 . 1 43 43 LEU CA C 13 53.584 0.04 . . . . . . . 144 LEU CA . 51899 1 122 . 1 . 1 43 43 LEU CB C 13 39.364 0.05 . . . . . . . 144 LEU CB . 51899 1 123 . 1 . 1 43 43 LEU N N 15 120.867 0.02 . . . . . . . 144 LEU N . 51899 1 124 . 1 . 1 44 44 ARG H H 1 7.978 0.00 . . . . . . . 145 ARG H . 51899 1 125 . 1 . 1 44 44 ARG C C 13 174.089 0.00 . . . . . . . 145 ARG CO . 51899 1 126 . 1 . 1 44 44 ARG CA C 13 54.306 0.01 . . . . . . . 145 ARG CA . 51899 1 127 . 1 . 1 44 44 ARG CB C 13 27.790 0.09 . . . . . . . 145 ARG CB . 51899 1 128 . 1 . 1 44 44 ARG N N 15 119.760 0.01 . . . . . . . 145 ARG N . 51899 1 129 . 1 . 1 45 45 ASP H H 1 8.130 0.00 . . . . . . . 146 ASP H . 51899 1 130 . 1 . 1 45 45 ASP C C 13 174.305 0.00 . . . . . . . 146 ASP CO . 51899 1 131 . 1 . 1 45 45 ASP CA C 13 52.684 0.01 . . . . . . . 146 ASP CA . 51899 1 132 . 1 . 1 45 45 ASP CB C 13 38.156 0.03 . . . . . . . 146 ASP CB . 51899 1 133 . 1 . 1 45 45 ASP N N 15 120.538 0.02 . . . . . . . 146 ASP N . 51899 1 134 . 1 . 1 46 46 VAL H H 1 7.833 0.00 . . . . . . . 147 VAL H . 51899 1 135 . 1 . 1 46 46 VAL C C 13 173.928 0.00 . . . . . . . 147 VAL CO . 51899 1 136 . 1 . 1 46 46 VAL CA C 13 60.466 0.04 . . . . . . . 147 VAL CA . 51899 1 137 . 1 . 1 46 46 VAL CB C 13 29.645 0.03 . . . . . . . 147 VAL CB . 51899 1 138 . 1 . 1 46 46 VAL N N 15 118.316 0.01 . . . . . . . 147 VAL N . 51899 1 139 . 1 . 1 47 47 GLU H H 1 8.096 0.00 . . . . . . . 148 GLU H . 51899 1 140 . 1 . 1 47 47 GLU C C 13 173.845 0.00 . . . . . . . 148 GLU CO . 51899 1 141 . 1 . 1 47 47 GLU CA C 13 54.443 0.02 . . . . . . . 148 GLU CA . 51899 1 142 . 1 . 1 47 47 GLU CB C 13 27.363 0.05 . . . . . . . 148 GLU CB . 51899 1 143 . 1 . 1 47 47 GLU N N 15 122.215 0.04 . . . . . . . 148 GLU N . 51899 1 144 . 1 . 1 48 48 PHE H H 1 8.064 0.00 . . . . . . . 149 PHE H . 51899 1 145 . 1 . 1 48 48 PHE C C 13 173.057 0.00 . . . . . . . 149 PHE CO . 51899 1 146 . 1 . 1 48 48 PHE CA C 13 55.368 0.08 . . . . . . . 149 PHE CA . 51899 1 147 . 1 . 1 48 48 PHE CB C 13 36.622 0.07 . . . . . . . 149 PHE CB . 51899 1 148 . 1 . 1 48 48 PHE N N 15 120.374 0.01 . . . . . . . 149 PHE N . 51899 1 149 . 1 . 1 49 49 ARG H H 1 7.974 0.00 . . . . . . . 150 ARG H . 51899 1 150 . 1 . 1 49 49 ARG C C 13 173.373 0.00 . . . . . . . 150 ARG CO . 51899 1 151 . 1 . 1 49 49 ARG CA C 13 53.489 0.05 . . . . . . . 150 ARG CA . 51899 1 152 . 1 . 1 49 49 ARG CB C 13 28.002 0.04 . . . . . . . 150 ARG CB . 51899 1 153 . 1 . 1 49 49 ARG N N 15 122.152 0.02 . . . . . . . 150 ARG N . 51899 1 154 . 1 . 1 50 50 LYS H H 1 8.153 0.00 . . . . . . . 151 LYS H . 51899 1 155 . 1 . 1 50 50 LYS C C 13 173.614 0.00 . . . . . . . 151 LYS CO . 51899 1 156 . 1 . 1 50 50 LYS CA C 13 54.112 0.06 . . . . . . . 151 LYS CA . 51899 1 157 . 1 . 1 50 50 LYS CB C 13 30.290 0.05 . . . . . . . 151 LYS CB . 51899 1 158 . 1 . 1 50 50 LYS N N 15 122.141 0.01 . . . . . . . 151 LYS N . 51899 1 159 . 1 . 1 51 51 ASP H H 1 8.331 0.00 . . . . . . . 152 ASP H . 51899 1 160 . 1 . 1 51 51 ASP C C 13 173.575 0.01 . . . . . . . 152 ASP CO . 51899 1 161 . 1 . 1 51 51 ASP CA C 13 51.897 0.02 . . . . . . . 152 ASP CA . 51899 1 162 . 1 . 1 51 51 ASP CB C 13 38.114 0.04 . . . . . . . 152 ASP CB . 51899 1 163 . 1 . 1 51 51 ASP N N 15 120.269 0.01 . . . . . . . 152 ASP N . 51899 1 164 . 1 . 1 52 52 ILE H H 1 7.822 0.00 . . . . . . . 153 ILE H . 51899 1 165 . 1 . 1 52 52 ILE C C 13 174.016 0.00 . . . . . . . 153 ILE CO . 51899 1 166 . 1 . 1 52 52 ILE CA C 13 59.088 0.02 . . . . . . . 153 ILE CA . 51899 1 167 . 1 . 1 52 52 ILE CB C 13 35.730 0.04 . . . . . . . 153 ILE CB . 51899 1 168 . 1 . 1 52 52 ILE N N 15 120.332 0.01 . . . . . . . 153 ILE N . 51899 1 169 . 1 . 1 53 53 VAL H H 1 8.000 0.00 . . . . . . . 154 VAL H . 51899 1 170 . 1 . 1 53 53 VAL C C 13 173.884 0.00 . . . . . . . 154 VAL CO . 51899 1 171 . 1 . 1 53 53 VAL CA C 13 60.570 0.02 . . . . . . . 154 VAL CA . 51899 1 172 . 1 . 1 53 53 VAL CB C 13 29.703 0.04 . . . . . . . 154 VAL CB . 51899 1 173 . 1 . 1 53 53 VAL N N 15 123.772 0.01 . . . . . . . 154 VAL N . 51899 1 174 . 1 . 1 54 54 GLU H H 1 8.313 0.00 . . . . . . . 155 GLU H . 51899 1 175 . 1 . 1 54 54 GLU C C 13 174.343 0.00 . . . . . . . 155 GLU CO . 51899 1 176 . 1 . 1 54 54 GLU CA C 13 54.528 0.04 . . . . . . . 155 GLU CA . 51899 1 177 . 1 . 1 54 54 GLU CB C 13 27.269 0.01 . . . . . . . 155 GLU CB . 51899 1 178 . 1 . 1 54 54 GLU N N 15 123.438 0.02 . . . . . . . 155 GLU N . 51899 1 179 . 1 . 1 55 55 MET H H 1 8.220 0.00 . . . . . . . 156 MET H . 51899 1 180 . 1 . 1 55 55 MET C C 13 173.578 0.00 . . . . . . . 156 MET CO . 51899 1 181 . 1 . 1 55 55 MET CA C 13 53.486 0.10 . . . . . . . 156 MET CA . 51899 1 182 . 1 . 1 55 55 MET CB C 13 30.231 0.05 . . . . . . . 156 MET CB . 51899 1 183 . 1 . 1 55 55 MET N N 15 120.881 0.01 . . . . . . . 156 MET N . 51899 1 184 . 1 . 1 56 56 ALA H H 1 8.136 0.00 . . . . . . . 157 ALA H . 51899 1 185 . 1 . 1 56 56 ALA C C 13 175.860 0.00 . . . . . . . 157 ALA CO . 51899 1 186 . 1 . 1 56 56 ALA CA C 13 50.472 0.02 . . . . . . . 157 ALA CA . 51899 1 187 . 1 . 1 56 56 ALA CB C 13 16.042 0.01 . . . . . . . 157 ALA CB . 51899 1 188 . 1 . 1 56 56 ALA N N 15 124.714 0.00 . . . . . . . 157 ALA N . 51899 1 189 . 1 . 1 57 57 ILE H H 1 8.001 0.00 . . . . . . . 158 ILE H . 51899 1 190 . 1 . 1 57 57 ILE C C 13 174.517 0.00 . . . . . . . 158 ILE CO . 51899 1 191 . 1 . 1 57 57 ILE CA C 13 59.589 0.04 . . . . . . . 158 ILE CA . 51899 1 192 . 1 . 1 57 57 ILE CB C 13 35.724 0.04 . . . . . . . 158 ILE CB . 51899 1 193 . 1 . 1 57 57 ILE N N 15 120.172 0.01 . . . . . . . 158 ILE N . 51899 1 194 . 1 . 1 58 58 GLU H H 1 8.357 0.00 . . . . . . . 159 GLU H . 51899 1 195 . 1 . 1 58 58 GLU C C 13 174.474 0.00 . . . . . . . 159 GLU CO . 51899 1 196 . 1 . 1 58 58 GLU CA C 13 54.888 0.01 . . . . . . . 159 GLU CA . 51899 1 197 . 1 . 1 58 58 GLU CB C 13 27.035 0.01 . . . . . . . 159 GLU CB . 51899 1 198 . 1 . 1 58 58 GLU N N 15 123.034 0.01 . . . . . . . 159 GLU N . 51899 1 199 . 1 . 1 59 59 ASN H H 1 8.271 0.00 . . . . . . . 160 ASN H . 51899 1 200 . 1 . 1 59 59 ASN C C 13 173.245 0.00 . . . . . . . 160 ASN CO . 51899 1 201 . 1 . 1 59 59 ASN CA C 13 51.379 0.01 . . . . . . . 160 ASN CA . 51899 1 202 . 1 . 1 59 59 ASN CB C 13 35.940 0.03 . . . . . . . 160 ASN CB . 51899 1 203 . 1 . 1 59 59 ASN N N 15 118.657 0.00 . . . . . . . 160 ASN N . 51899 1 204 . 1 . 1 60 60 GLN H H 1 8.109 0.00 . . . . . . . 161 GLN H . 51899 1 205 . 1 . 1 60 60 GLN C C 13 173.920 0.00 . . . . . . . 161 GLN CO . 51899 1 206 . 1 . 1 60 60 GLN CA C 13 54.233 0.03 . . . . . . . 161 GLN CA . 51899 1 207 . 1 . 1 60 60 GLN CB C 13 26.293 0.02 . . . . . . . 161 GLN CB . 51899 1 208 . 1 . 1 60 60 GLN N N 15 120.095 0.01 . . . . . . . 161 GLN N . 51899 1 209 . 1 . 1 61 61 LYS H H 1 8.077 0.00 . . . . . . . 162 LYS H . 51899 1 210 . 1 . 1 61 61 LYS C C 13 174.176 0.00 . . . . . . . 162 LYS CO . 51899 1 211 . 1 . 1 61 61 LYS CA C 13 54.377 0.00 . . . . . . . 162 LYS CA . 51899 1 212 . 1 . 1 61 61 LYS CB C 13 29.986 0.04 . . . . . . . 162 LYS CB . 51899 1 213 . 1 . 1 61 61 LYS N N 15 121.042 0.03 . . . . . . . 162 LYS N . 51899 1 214 . 1 . 1 62 62 LYS H H 1 8.016 0.00 . . . . . . . 163 LYS H . 51899 1 215 . 1 . 1 62 62 LYS C C 13 174.016 0.00 . . . . . . . 163 LYS CO . 51899 1 216 . 1 . 1 62 62 LYS CA C 13 53.976 0.03 . . . . . . . 163 LYS CA . 51899 1 217 . 1 . 1 62 62 LYS CB C 13 30.151 0.01 . . . . . . . 163 LYS CB . 51899 1 218 . 1 . 1 62 62 LYS N N 15 121.125 0.02 . . . . . . . 163 LYS N . 51899 1 219 . 1 . 1 63 63 MET H H 1 8.151 0.00 . . . . . . . 164 MET H . 51899 1 220 . 1 . 1 63 63 MET C C 13 173.600 0.00 . . . . . . . 164 MET CO . 51899 1 221 . 1 . 1 63 63 MET CA C 13 53.133 0.12 . . . . . . . 164 MET CA . 51899 1 222 . 1 . 1 63 63 MET CB C 13 29.929 0.11 . . . . . . . 164 MET CB . 51899 1 223 . 1 . 1 63 63 MET N N 15 120.962 0.01 . . . . . . . 164 MET N . 51899 1 224 . 1 . 1 64 64 ILE H H 1 7.955 0.00 . . . . . . . 165 ILE H . 51899 1 225 . 1 . 1 64 64 ILE C C 13 173.274 0.00 . . . . . . . 165 ILE CO . 51899 1 226 . 1 . 1 64 64 ILE CA C 13 58.667 0.02 . . . . . . . 165 ILE CA . 51899 1 227 . 1 . 1 64 64 ILE CB C 13 36.078 0.05 . . . . . . . 165 ILE CB . 51899 1 228 . 1 . 1 64 64 ILE N N 15 121.088 0.01 . . . . . . . 165 ILE N . 51899 1 229 . 1 . 1 65 65 ASP H H 1 8.262 0.00 . . . . . . . 166 ASP H . 51899 1 230 . 1 . 1 65 65 ASP C C 13 173.924 0.00 . . . . . . . 166 ASP CO . 51899 1 231 . 1 . 1 65 65 ASP CA C 13 51.769 0.02 . . . . . . . 166 ASP CA . 51899 1 232 . 1 . 1 65 65 ASP CB C 13 38.329 0.04 . . . . . . . 166 ASP CB . 51899 1 233 . 1 . 1 65 65 ASP N N 15 123.995 0.01 . . . . . . . 166 ASP N . 51899 1 234 . 1 . 1 66 66 VAL H H 1 8.028 0.00 . . . . . . . 167 VAL H . 51899 1 235 . 1 . 1 66 66 VAL C C 13 174.048 0.00 . . . . . . . 167 VAL CO . 51899 1 236 . 1 . 1 66 66 VAL CA C 13 60.548 0.05 . . . . . . . 167 VAL CA . 51899 1 237 . 1 . 1 66 66 VAL CB C 13 29.688 0.01 . . . . . . . 167 VAL CB . 51899 1 238 . 1 . 1 66 66 VAL N N 15 120.014 0.02 . . . . . . . 167 VAL N . 51899 1 239 . 1 . 1 67 67 GLU H H 1 8.336 0.00 . . . . . . . 168 GLU H . 51899 1 240 . 1 . 1 67 67 GLU C C 13 174.563 0.00 . . . . . . . 168 GLU CO . 51899 1 241 . 1 . 1 67 67 GLU CA C 13 54.606 0.04 . . . . . . . 168 GLU CA . 51899 1 242 . 1 . 1 67 67 GLU CB C 13 27.123 0.04 . . . . . . . 168 GLU CB . 51899 1 243 . 1 . 1 67 67 GLU N N 15 122.320 0.02 . . . . . . . 168 GLU N . 51899 1 244 . 1 . 1 68 68 SER H H 1 8.151 0.00 . . . . . . . 169 SER H . 51899 1 245 . 1 . 1 68 68 SER C C 13 172.528 0.00 . . . . . . . 169 SER CO . 51899 1 246 . 1 . 1 68 68 SER CA C 13 56.375 0.02 . . . . . . . 169 SER CA . 51899 1 247 . 1 . 1 68 68 SER CB C 13 60.815 0.07 . . . . . . . 169 SER CB . 51899 1 248 . 1 . 1 68 68 SER N N 15 116.128 0.00 . . . . . . . 169 SER N . 51899 1 249 . 1 . 1 69 69 ARG H H 1 8.086 0.00 . . . . . . . 170 ARG H . 51899 1 250 . 1 . 1 69 69 ARG C C 13 173.684 0.00 . . . . . . . 170 ARG CO . 51899 1 251 . 1 . 1 69 69 ARG CA C 13 54.396 0.09 . . . . . . . 170 ARG CA . 51899 1 252 . 1 . 1 69 69 ARG CB C 13 27.516 0.04 . . . . . . . 170 ARG CB . 51899 1 253 . 1 . 1 69 69 ARG N N 15 122.104 0.02 . . . . . . . 170 ARG N . 51899 1 254 . 1 . 1 70 70 TYR H H 1 7.873 0.00 . . . . . . . 171 TYR H . 51899 1 255 . 1 . 1 70 70 TYR C C 13 172.883 0.00 . . . . . . . 171 TYR CO . 51899 1 256 . 1 . 1 70 70 TYR CA C 13 54.807 0.03 . . . . . . . 171 TYR CA . 51899 1 257 . 1 . 1 70 70 TYR CB C 13 35.782 0.02 . . . . . . . 171 TYR CB . 51899 1 258 . 1 . 1 70 70 TYR N N 15 119.077 0.01 . . . . . . . 171 TYR N . 51899 1 259 . 1 . 1 71 71 ALA H H 1 7.891 0.00 . . . . . . . 172 ALA H . 51899 1 260 . 1 . 1 71 71 ALA C C 13 174.749 0.00 . . . . . . . 172 ALA CO . 51899 1 261 . 1 . 1 71 71 ALA CA C 13 49.854 0.05 . . . . . . . 172 ALA CA . 51899 1 262 . 1 . 1 71 71 ALA CB C 13 16.601 0.01 . . . . . . . 172 ALA CB . 51899 1 263 . 1 . 1 71 71 ALA N N 15 124.603 0.01 . . . . . . . 172 ALA N . 51899 1 264 . 1 . 1 72 72 LYS H H 1 8.089 0.00 . . . . . . . 173 LYS H . 51899 1 265 . 1 . 1 72 72 LYS C C 13 173.960 0.00 . . . . . . . 173 LYS CO . 51899 1 266 . 1 . 1 72 72 LYS CA C 13 53.717 0.04 . . . . . . . 173 LYS CA . 51899 1 267 . 1 . 1 72 72 LYS CB C 13 30.198 0.05 . . . . . . . 173 LYS CB . 51899 1 268 . 1 . 1 72 72 LYS N N 15 120.628 0.01 . . . . . . . 173 LYS N . 51899 1 269 . 1 . 1 73 73 LYS H H 1 8.256 0.00 . . . . . . . 174 LYS H . 51899 1 270 . 1 . 1 73 73 LYS C C 13 173.623 0.00 . . . . . . . 174 LYS CO . 51899 1 271 . 1 . 1 73 73 LYS CA C 13 53.716 0.03 . . . . . . . 174 LYS CA . 51899 1 272 . 1 . 1 73 73 LYS CB C 13 30.275 0.04 . . . . . . . 174 LYS CB . 51899 1 273 . 1 . 1 73 73 LYS N N 15 122.355 0.00 . . . . . . . 174 LYS N . 51899 1 274 . 1 . 1 74 74 ASP H H 1 8.292 0.00 . . . . . . . 175 ASP H . 51899 1 275 . 1 . 1 74 74 ASP C C 13 173.769 0.00 . . . . . . . 175 ASP CO . 51899 1 276 . 1 . 1 74 74 ASP CA C 13 51.887 0.05 . . . . . . . 175 ASP CA . 51899 1 277 . 1 . 1 74 74 ASP CB C 13 38.254 0.02 . . . . . . . 175 ASP CB . 51899 1 278 . 1 . 1 74 74 ASP N N 15 121.129 0.01 . . . . . . . 175 ASP N . 51899 1 279 . 1 . 1 75 75 MET H H 1 8.214 0.00 . . . . . . . 176 MET H . 51899 1 280 . 1 . 1 75 75 MET C C 13 173.664 0.00 . . . . . . . 176 MET CO . 51899 1 281 . 1 . 1 75 75 MET CA C 13 53.529 0.28 . . . . . . . 176 MET CA . 51899 1 282 . 1 . 1 75 75 MET CB C 13 29.862 0.01 . . . . . . . 176 MET CB . 51899 1 283 . 1 . 1 75 75 MET N N 15 120.237 0.02 . . . . . . . 176 MET N . 51899 1 284 . 1 . 1 76 76 ASP H H 1 8.277 0.00 . . . . . . . 177 ASP H . 51899 1 285 . 1 . 1 76 76 ASP C C 13 173.921 0.00 . . . . . . . 177 ASP CO . 51899 1 286 . 1 . 1 76 76 ASP CA C 13 52.237 0.08 . . . . . . . 177 ASP CA . 51899 1 287 . 1 . 1 76 76 ASP CB C 13 38.246 0.02 . . . . . . . 177 ASP CB . 51899 1 288 . 1 . 1 76 76 ASP N N 15 120.917 0.02 . . . . . . . 177 ASP N . 51899 1 289 . 1 . 1 77 77 ARG H H 1 8.036 0.00 . . . . . . . 178 ARG H . 51899 1 290 . 1 . 1 77 77 ARG C C 13 173.902 0.00 . . . . . . . 178 ARG CO . 51899 1 291 . 1 . 1 77 77 ARG CA C 13 53.934 0.01 . . . . . . . 178 ARG CA . 51899 1 292 . 1 . 1 77 77 ARG CB C 13 27.918 0.03 . . . . . . . 178 ARG CB . 51899 1 293 . 1 . 1 77 77 ARG N N 15 120.583 0.02 . . . . . . . 178 ARG N . 51899 1 294 . 1 . 1 78 78 GLU H H 1 8.221 0.00 . . . . . . . 179 GLU H . 51899 1 295 . 1 . 1 78 78 GLU C C 13 173.770 0.00 . . . . . . . 179 GLU CO . 51899 1 296 . 1 . 1 78 78 GLU CA C 13 53.864 0.15 . . . . . . . 179 GLU CA . 51899 1 297 . 1 . 1 78 78 GLU CB C 13 27.348 0.07 . . . . . . . 179 GLU CB . 51899 1 298 . 1 . 1 78 78 GLU N N 15 120.215 0.02 . . . . . . . 179 GLU N . 51899 1 299 . 1 . 1 79 79 ARG H H 1 8.070 0.00 . . . . . . . 180 ARG H . 51899 1 300 . 1 . 1 79 79 ARG C C 13 173.446 0.00 . . . . . . . 180 ARG CO . 51899 1 301 . 1 . 1 79 79 ARG CA C 13 53.494 0.11 . . . . . . . 180 ARG CA . 51899 1 302 . 1 . 1 79 79 ARG CB C 13 27.956 0.05 . . . . . . . 180 ARG CB . 51899 1 303 . 1 . 1 79 79 ARG N N 15 121.415 0.02 . . . . . . . 180 ARG N . 51899 1 304 . 1 . 1 80 80 VAL H H 1 7.992 0.00 . . . . . . . 181 VAL H . 51899 1 305 . 1 . 1 80 80 VAL C C 13 173.062 0.00 . . . . . . . 181 VAL CO . 51899 1 306 . 1 . 1 80 80 VAL CA C 13 59.660 0.03 . . . . . . . 181 VAL CA . 51899 1 307 . 1 . 1 80 80 VAL CB C 13 29.902 0.05 . . . . . . . 181 VAL CB . 51899 1 308 . 1 . 1 80 80 VAL N N 15 121.244 0.02 . . . . . . . 181 VAL N . 51899 1 309 . 1 . 1 81 81 LYS H H 1 8.284 0.00 . . . . . . . 182 LYS H . 51899 1 310 . 1 . 1 81 81 LYS C C 13 172.722 0.00 . . . . . . . 182 LYS CO . 51899 1 311 . 1 . 1 81 81 LYS CA C 13 53.620 0.03 . . . . . . . 182 LYS CA . 51899 1 312 . 1 . 1 81 81 LYS CB C 13 30.245 0.00 . . . . . . . 182 LYS CB . 51899 1 313 . 1 . 1 81 81 LYS N N 15 126.292 0.01 . . . . . . . 182 LYS N . 51899 1 314 . 1 . 1 82 82 VAL H H 1 7.687 0.00 . . . . . . . 183 VAL H . 51899 1 315 . 1 . 1 82 82 VAL C C 13 173.533 0.00 . . . . . . . 183 VAL CO . 51899 1 316 . 1 . 1 82 82 VAL CA C 13 60.937 0.00 . . . . . . . 183 VAL CA . 51899 1 317 . 1 . 1 82 82 VAL CB C 13 30.438 0.00 . . . . . . . 183 VAL CB . 51899 1 318 . 1 . 1 82 82 VAL N N 15 126.427 0.01 . . . . . . . 183 VAL N . 51899 1 stop_ save_