################################### # 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_Pgamma_PDE6_NMRSTAR _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Pgamma_PDE6_NMRSTAR _Assigned_chem_shift_list.Entry_ID 28133 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_1_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28133 1 2 '3D HNCA' . . . 28133 1 3 '3D HNCACB' . . . 28133 1 4 '3D HNCO' . . . 28133 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 3 3 GLU H H 1 8.614 0.00 . . . . . . . 3 GLU H . 28133 1 2 . 1 . 1 3 3 GLU C C 13 175.790 0.00 . . . . . . . 3 GLU C . 28133 1 3 . 1 . 1 3 3 GLU CA C 13 56.347 0.00 . . . . . . . 3 GLU CA . 28133 1 4 . 1 . 1 3 3 GLU CB C 13 30.510 0.00 . . . . . . . 3 GLU CB . 28133 1 5 . 1 . 1 3 3 GLU N N 15 121.761 0.00 . . . . . . . 3 GLU N . 28133 1 6 . 1 . 1 4 4 ASN H H 1 8.617 0.00 . . . . . . . 4 ASN H . 28133 1 7 . 1 . 1 4 4 ASN CA C 13 51.383 0.00 . . . . . . . 4 ASN CA . 28133 1 8 . 1 . 1 4 4 ASN CB C 13 38.717 0.00 . . . . . . . 4 ASN CB . 28133 1 9 . 1 . 1 4 4 ASN N N 15 121.187 0.06 . . . . . . . 4 ASN N . 28133 1 10 . 1 . 1 5 5 PRO C C 13 177.513 0.00 . . . . . . . 5 PRO C . 28133 1 11 . 1 . 1 5 5 PRO CA C 13 63.206 0.00 . . . . . . . 5 PRO CA . 28133 1 12 . 1 . 1 5 5 PRO CB C 13 32.247 0.00 . . . . . . . 5 PRO CB . 28133 1 13 . 1 . 1 6 6 THR H H 1 8.285 0.02 . . . . . . . 6 THR H . 28133 1 14 . 1 . 1 6 6 THR C C 13 174.861 0.00 . . . . . . . 6 THR C . 28133 1 15 . 1 . 1 6 6 THR CA C 13 61.956 0.00 . . . . . . . 6 THR CA . 28133 1 16 . 1 . 1 6 6 THR CB C 13 69.791 0.00 . . . . . . . 6 THR CB . 28133 1 17 . 1 . 1 6 6 THR N N 15 113.959 0.06 . . . . . . . 6 THR N . 28133 1 18 . 1 . 1 7 7 THR H H 1 8.050 0.00 . . . . . . . 7 THR H . 28133 1 19 . 1 . 1 7 7 THR C C 13 174.067 0.00 . . . . . . . 7 THR C . 28133 1 20 . 1 . 1 7 7 THR CA C 13 61.871 0.01 . . . . . . . 7 THR CA . 28133 1 21 . 1 . 1 7 7 THR CB C 13 69.802 0.02 . . . . . . . 7 THR CB . 28133 1 22 . 1 . 1 7 7 THR N N 15 115.907 0.01 . . . . . . . 7 THR N . 28133 1 23 . 1 . 1 8 8 ASN H H 1 8.444 0.00 . . . . . . . 8 ASN H . 28133 1 24 . 1 . 1 8 8 ASN C C 13 174.968 0.00 . . . . . . . 8 ASN C . 28133 1 25 . 1 . 1 8 8 ASN CA C 13 53.385 0.05 . . . . . . . 8 ASN CA . 28133 1 26 . 1 . 1 8 8 ASN CB C 13 38.739 0.01 . . . . . . . 8 ASN CB . 28133 1 27 . 1 . 1 8 8 ASN N N 15 121.184 0.02 . . . . . . . 8 ASN N . 28133 1 28 . 1 . 1 9 9 LEU H H 1 8.282 0.00 . . . . . . . 9 LEU H . 28133 1 29 . 1 . 1 9 9 LEU C C 13 177.707 0.00 . . . . . . . 9 LEU C . 28133 1 30 . 1 . 1 9 9 LEU CA C 13 55.376 0.01 . . . . . . . 9 LEU CA . 28133 1 31 . 1 . 1 9 9 LEU CB C 13 42.410 0.03 . . . . . . . 9 LEU CB . 28133 1 32 . 1 . 1 9 9 LEU N N 15 122.716 0.01 . . . . . . . 9 LEU N . 28133 1 33 . 1 . 1 10 10 THR H H 1 8.253 0.00 . . . . . . . 10 THR H . 28133 1 34 . 1 . 1 10 10 THR C C 13 174.868 0.00 . . . . . . . 10 THR C . 28133 1 35 . 1 . 1 10 10 THR CA C 13 61.808 0.00 . . . . . . . 10 THR CA . 28133 1 36 . 1 . 1 10 10 THR CB C 13 69.802 0.00 . . . . . . . 10 THR CB . 28133 1 37 . 1 . 1 10 10 THR N N 15 114.704 0.01 . . . . . . . 10 THR N . 28133 1 38 . 1 . 1 11 11 THR H H 1 8.120 0.00 . . . . . . . 11 THR H . 28133 1 39 . 1 . 1 11 11 THR C C 13 175.102 0.00 . . . . . . . 11 THR C . 28133 1 40 . 1 . 1 11 11 THR CA C 13 61.867 0.01 . . . . . . . 11 THR CA . 28133 1 41 . 1 . 1 11 11 THR CB C 13 69.779 0.01 . . . . . . . 11 THR CB . 28133 1 42 . 1 . 1 11 11 THR N N 15 115.361 0.01 . . . . . . . 11 THR N . 28133 1 43 . 1 . 1 12 12 GLY H H 1 8.345 0.00 . . . . . . . 12 GLY H . 28133 1 44 . 1 . 1 12 12 GLY C C 13 173.799 0.00 . . . . . . . 12 GLY C . 28133 1 45 . 1 . 1 12 12 GLY CA C 13 45.215 0.08 . . . . . . . 12 GLY CA . 28133 1 46 . 1 . 1 12 12 GLY N N 15 110.980 0.01 . . . . . . . 12 GLY N . 28133 1 47 . 1 . 1 13 13 ASP H H 1 8.208 0.00 . . . . . . . 13 ASP H . 28133 1 48 . 1 . 1 13 13 ASP C C 13 175.694 0.00 . . . . . . . 13 ASP C . 28133 1 49 . 1 . 1 13 13 ASP CA C 13 54.145 0.02 . . . . . . . 13 ASP CA . 28133 1 50 . 1 . 1 13 13 ASP CB C 13 41.335 0.01 . . . . . . . 13 ASP CB . 28133 1 51 . 1 . 1 13 13 ASP N N 15 120.352 0.10 . . . . . . . 13 ASP N . 28133 1 52 . 1 . 1 14 14 ALA H H 1 8.213 0.00 . . . . . . . 14 ALA H . 28133 1 53 . 1 . 1 14 14 ALA CA C 13 50.543 0.00 . . . . . . . 14 ALA CA . 28133 1 54 . 1 . 1 14 14 ALA CB C 13 18.231 0.00 . . . . . . . 14 ALA CB . 28133 1 55 . 1 . 1 14 14 ALA N N 15 125.207 0.01 . . . . . . . 14 ALA N . 28133 1 56 . 1 . 1 15 15 PRO C C 13 177.303 0.00 . . . . . . . 15 PRO C . 28133 1 57 . 1 . 1 15 15 PRO CA C 13 63.213 0.00 . . . . . . . 15 PRO CA . 28133 1 58 . 1 . 1 15 15 PRO CB C 13 32.040 0.00 . . . . . . . 15 PRO CB . 28133 1 59 . 1 . 1 16 16 THR H H 1 8.195 0.00 . . . . . . . 16 THR H . 28133 1 60 . 1 . 1 16 16 THR C C 13 174.857 0.00 . . . . . . . 16 THR C . 28133 1 61 . 1 . 1 16 16 THR CA C 13 61.599 0.01 . . . . . . . 16 THR CA . 28133 1 62 . 1 . 1 16 16 THR CB C 13 69.987 0.00 . . . . . . . 16 THR CB . 28133 1 63 . 1 . 1 16 16 THR N N 15 113.374 0.02 . . . . . . . 16 THR N . 28133 1 64 . 1 . 1 17 17 GLY H H 1 8.182 0.00 . . . . . . . 17 GLY H . 28133 1 65 . 1 . 1 17 17 GLY CA C 13 44.687 0.00 . . . . . . . 17 GLY CA . 28133 1 66 . 1 . 1 17 17 GLY N N 15 111.028 0.02 . . . . . . . 17 GLY N . 28133 1 67 . 1 . 1 18 18 PRO C C 13 177.233 0.00 . . . . . . . 18 PRO C . 28133 1 68 . 1 . 1 18 18 PRO CA C 13 63.115 0.00 . . . . . . . 18 PRO CA . 28133 1 69 . 1 . 1 18 18 PRO CB C 13 32.239 0.00 . . . . . . . 18 PRO CB . 28133 1 70 . 1 . 1 19 19 THR H H 1 8.306 0.00 . . . . . . . 19 THR H . 28133 1 71 . 1 . 1 19 19 THR C C 13 174.597 0.00 . . . . . . . 19 THR C . 28133 1 72 . 1 . 1 19 19 THR CA C 13 61.950 0.01 . . . . . . . 19 THR CA . 28133 1 73 . 1 . 1 19 19 THR CB C 13 69.723 0.00 . . . . . . . 19 THR CB . 28133 1 74 . 1 . 1 19 19 THR N N 15 114.010 0.03 . . . . . . . 19 THR N . 28133 1 75 . 1 . 1 20 20 THR H H 1 8.096 0.00 . . . . . . . 20 THR H . 28133 1 76 . 1 . 1 20 20 THR CA C 13 60.029 0.00 . . . . . . . 20 THR CA . 28133 1 77 . 1 . 1 20 20 THR CB C 13 69.777 0.00 . . . . . . . 20 THR CB . 28133 1 78 . 1 . 1 20 20 THR N N 15 119.101 0.02 . . . . . . . 20 THR N . 28133 1 79 . 1 . 1 21 21 PRO C C 13 176.810 0.00 . . . . . . . 21 PRO C . 28133 1 80 . 1 . 1 21 21 PRO CA C 13 63.248 0.00 . . . . . . . 21 PRO CA . 28133 1 81 . 1 . 1 21 21 PRO CB C 13 31.828 0.00 . . . . . . . 21 PRO CB . 28133 1 82 . 1 . 1 22 22 ARG H H 1 8.432 0.00 . . . . . . . 22 ARG H . 28133 1 83 . 1 . 1 22 22 ARG C C 13 176.344 0.00 . . . . . . . 22 ARG C . 28133 1 84 . 1 . 1 22 22 ARG CA C 13 56.156 0.05 . . . . . . . 22 ARG CA . 28133 1 85 . 1 . 1 22 22 ARG CB C 13 30.807 0.02 . . . . . . . 22 ARG CB . 28133 1 86 . 1 . 1 22 22 ARG N N 15 121.927 0.03 . . . . . . . 22 ARG N . 28133 1 87 . 1 . 1 23 23 LYS H H 1 8.393 0.00 . . . . . . . 23 LYS H . 28133 1 88 . 1 . 1 23 23 LYS C C 13 176.612 0.00 . . . . . . . 23 LYS C . 28133 1 89 . 1 . 1 23 23 LYS CA C 13 56.171 0.12 . . . . . . . 23 LYS CA . 28133 1 90 . 1 . 1 23 23 LYS CB C 13 33.310 0.06 . . . . . . . 23 LYS CB . 28133 1 91 . 1 . 1 23 23 LYS N N 15 123.350 0.04 . . . . . . . 23 LYS N . 28133 1 92 . 1 . 1 24 24 GLY H H 1 8.255 0.00 . . . . . . . 24 GLY H . 28133 1 93 . 1 . 1 24 24 GLY CA C 13 44.372 0.00 . . . . . . . 24 GLY CA . 28133 1 94 . 1 . 1 24 24 GLY N N 15 110.561 0.02 . . . . . . . 24 GLY N . 28133 1 95 . 1 . 1 26 26 PRO C C 13 176.794 0.00 . . . . . . . 26 PRO C . 28133 1 96 . 1 . 1 26 26 PRO CA C 13 62.922 0.00 . . . . . . . 26 PRO CA . 28133 1 97 . 1 . 1 26 26 PRO CB C 13 32.075 0.00 . . . . . . . 26 PRO CB . 28133 1 98 . 1 . 1 27 27 LYS H H 1 8.319 0.00 . . . . . . . 27 LYS H . 28133 1 99 . 1 . 1 27 27 LYS C C 13 176.369 0.00 . . . . . . . 27 LYS C . 28133 1 100 . 1 . 1 27 27 LYS CA C 13 56.454 0.05 . . . . . . . 27 LYS CA . 28133 1 101 . 1 . 1 27 27 LYS CB C 13 33.061 0.03 . . . . . . . 27 LYS CB . 28133 1 102 . 1 . 1 27 27 LYS N N 15 121.306 0.04 . . . . . . . 27 LYS N . 28133 1 103 . 1 . 1 28 28 PHE H H 1 8.117 0.00 . . . . . . . 28 PHE H . 28133 1 104 . 1 . 1 28 28 PHE C C 13 175.485 0.00 . . . . . . . 28 PHE C . 28133 1 105 . 1 . 1 28 28 PHE CA C 13 57.422 0.02 . . . . . . . 28 PHE CA . 28133 1 106 . 1 . 1 28 28 PHE CB C 13 39.844 0.01 . . . . . . . 28 PHE CB . 28133 1 107 . 1 . 1 28 28 PHE N N 15 120.715 0.02 . . . . . . . 28 PHE N . 28133 1 108 . 1 . 1 29 29 LYS H H 1 8.236 0.00 . . . . . . . 29 LYS H . 28133 1 109 . 1 . 1 29 29 LYS C C 13 176.020 0.00 . . . . . . . 29 LYS C . 28133 1 110 . 1 . 1 29 29 LYS CA C 13 56.212 0.00 . . . . . . . 29 LYS CA . 28133 1 111 . 1 . 1 29 29 LYS CB C 13 33.254 0.10 . . . . . . . 29 LYS CB . 28133 1 112 . 1 . 1 29 29 LYS N N 15 123.514 0.02 . . . . . . . 29 LYS N . 28133 1 113 . 1 . 1 30 30 GLN H H 1 8.325 0.00 . . . . . . . 30 GLN H . 28133 1 114 . 1 . 1 30 30 GLN C C 13 175.941 0.00 . . . . . . . 30 GLN C . 28133 1 115 . 1 . 1 30 30 GLN CA C 13 55.934 0.02 . . . . . . . 30 GLN CA . 28133 1 116 . 1 . 1 30 30 GLN CB C 13 29.677 0.07 . . . . . . . 30 GLN CB . 28133 1 117 . 1 . 1 30 30 GLN N N 15 122.055 0.04 . . . . . . . 30 GLN N . 28133 1 118 . 1 . 1 31 31 ARG H H 1 8.460 0.00 . . . . . . . 31 ARG H . 28133 1 119 . 1 . 1 31 31 ARG C C 13 176.244 0.00 . . . . . . . 31 ARG C . 28133 1 120 . 1 . 1 31 31 ARG CA C 13 56.218 0.01 . . . . . . . 31 ARG CA . 28133 1 121 . 1 . 1 31 31 ARG CB C 13 30.843 0.01 . . . . . . . 31 ARG CB . 28133 1 122 . 1 . 1 31 31 ARG N N 15 123.005 0.01 . . . . . . . 31 ARG N . 28133 1 123 . 1 . 1 32 32 GLN H H 1 8.511 0.00 . . . . . . . 32 GLN H . 28133 1 124 . 1 . 1 32 32 GLN C C 13 176.124 0.00 . . . . . . . 32 GLN C . 28133 1 125 . 1 . 1 32 32 GLN CA C 13 55.805 0.05 . . . . . . . 32 GLN CA . 28133 1 126 . 1 . 1 32 32 GLN CB C 13 29.610 0.00 . . . . . . . 32 GLN CB . 28133 1 127 . 1 . 1 32 32 GLN N N 15 122.193 0.03 . . . . . . . 32 GLN N . 28133 1 128 . 1 . 1 33 33 THR H H 1 8.264 0.00 . . . . . . . 33 THR H . 28133 1 129 . 1 . 1 33 33 THR C C 13 174.489 0.00 . . . . . . . 33 THR C . 28133 1 130 . 1 . 1 33 33 THR CA C 13 61.921 0.02 . . . . . . . 33 THR CA . 28133 1 131 . 1 . 1 33 33 THR CB C 13 69.960 0.02 . . . . . . . 33 THR CB . 28133 1 132 . 1 . 1 33 33 THR N N 15 116.269 0.03 . . . . . . . 33 THR N . 28133 1 133 . 1 . 1 34 34 ARG H H 1 8.367 0.00 . . . . . . . 34 ARG H . 28133 1 134 . 1 . 1 34 34 ARG C C 13 175.845 0.00 . . . . . . . 34 ARG C . 28133 1 135 . 1 . 1 34 34 ARG CA C 13 56.191 0.11 . . . . . . . 34 ARG CA . 28133 1 136 . 1 . 1 34 34 ARG CB C 13 30.811 0.02 . . . . . . . 34 ARG CB . 28133 1 137 . 1 . 1 34 34 ARG N N 15 123.359 0.05 . . . . . . . 34 ARG N . 28133 1 138 . 1 . 1 35 35 GLN H H 1 8.363 0.00 . . . . . . . 35 GLN H . 28133 1 139 . 1 . 1 35 35 GLN C C 13 175.505 0.00 . . . . . . . 35 GLN C . 28133 1 140 . 1 . 1 35 35 GLN CA C 13 55.713 0.03 . . . . . . . 35 GLN CA . 28133 1 141 . 1 . 1 35 35 GLN CB C 13 29.596 0.01 . . . . . . . 35 GLN CB . 28133 1 142 . 1 . 1 35 35 GLN N N 15 121.611 0.01 . . . . . . . 35 GLN N . 28133 1 143 . 1 . 1 36 36 PHE H H 1 8.295 0.00 . . . . . . . 36 PHE H . 28133 1 144 . 1 . 1 36 36 PHE C C 13 175.500 0.00 . . . . . . . 36 PHE C . 28133 1 145 . 1 . 1 36 36 PHE CA C 13 57.632 0.06 . . . . . . . 36 PHE CA . 28133 1 146 . 1 . 1 36 36 PHE CB C 13 39.878 0.03 . . . . . . . 36 PHE CB . 28133 1 147 . 1 . 1 36 36 PHE N N 15 121.912 0.08 . . . . . . . 36 PHE N . 28133 1 148 . 1 . 1 37 37 LYS H H 1 8.294 0.00 . . . . . . . 37 LYS H . 28133 1 149 . 1 . 1 37 37 LYS C C 13 176.133 0.00 . . . . . . . 37 LYS C . 28133 1 150 . 1 . 1 37 37 LYS CA C 13 56.298 0.08 . . . . . . . 37 LYS CA . 28133 1 151 . 1 . 1 37 37 LYS CB C 13 33.230 0.04 . . . . . . . 37 LYS CB . 28133 1 152 . 1 . 1 37 37 LYS N N 15 123.242 0.02 . . . . . . . 37 LYS N . 28133 1 153 . 1 . 1 38 38 SER H H 1 8.226 0.00 . . . . . . . 38 SER H . 28133 1 154 . 1 . 1 38 38 SER C C 13 174.007 0.00 . . . . . . . 38 SER C . 28133 1 155 . 1 . 1 38 38 SER CA C 13 58.164 0.02 . . . . . . . 38 SER CA . 28133 1 156 . 1 . 1 38 38 SER CB C 13 63.952 0.00 . . . . . . . 38 SER CB . 28133 1 157 . 1 . 1 38 38 SER N N 15 117.243 0.01 . . . . . . . 38 SER N . 28133 1 158 . 1 . 1 39 39 LYS H H 1 8.336 0.00 . . . . . . . 39 LYS H . 28133 1 159 . 1 . 1 39 39 LYS CA C 13 54.219 0.00 . . . . . . . 39 LYS CA . 28133 1 160 . 1 . 1 39 39 LYS CB C 13 32.576 0.00 . . . . . . . 39 LYS CB . 28133 1 161 . 1 . 1 39 39 LYS N N 15 124.001 0.01 . . . . . . . 39 LYS N . 28133 1 162 . 1 . 1 41 41 PRO C C 13 176.742 0.00 . . . . . . . 41 PRO C . 28133 1 163 . 1 . 1 41 41 PRO CA C 13 62.773 0.00 . . . . . . . 41 PRO CA . 28133 1 164 . 1 . 1 41 41 PRO CB C 13 32.354 0.00 . . . . . . . 41 PRO CB . 28133 1 165 . 1 . 1 42 42 LYS H H 1 8.291 0.00 . . . . . . . 42 LYS H . 28133 1 166 . 1 . 1 42 42 LYS C C 13 176.370 0.00 . . . . . . . 42 LYS C . 28133 1 167 . 1 . 1 42 42 LYS CA C 13 56.828 0.60 . . . . . . . 42 LYS CA . 28133 1 168 . 1 . 1 42 42 LYS CB C 13 33.373 0.04 . . . . . . . 42 LYS CB . 28133 1 169 . 1 . 1 42 42 LYS N N 15 121.571 0.04 . . . . . . . 42 LYS N . 28133 1 170 . 1 . 1 43 43 LYS H H 1 8.358 0.00 . . . . . . . 43 LYS H . 28133 1 171 . 1 . 1 43 43 LYS C C 13 176.884 0.00 . . . . . . . 43 LYS C . 28133 1 172 . 1 . 1 43 43 LYS CA C 13 56.605 0.05 . . . . . . . 43 LYS CA . 28133 1 173 . 1 . 1 43 43 LYS CB C 13 33.058 0.11 . . . . . . . 43 LYS CB . 28133 1 174 . 1 . 1 43 43 LYS N N 15 123.041 0.03 . . . . . . . 43 LYS N . 28133 1 175 . 1 . 1 44 44 GLY H H 1 8.474 0.00 . . . . . . . 44 GLY H . 28133 1 176 . 1 . 1 44 44 GLY C C 13 174.038 0.00 . . . . . . . 44 GLY C . 28133 1 177 . 1 . 1 44 44 GLY CA C 13 45.194 0.06 . . . . . . . 44 GLY CA . 28133 1 178 . 1 . 1 44 44 GLY N N 15 110.751 0.04 . . . . . . . 44 GLY N . 28133 1 179 . 1 . 1 45 45 VAL H H 1 7.954 0.00 . . . . . . . 45 VAL H . 28133 1 180 . 1 . 1 45 45 VAL C C 13 176.203 0.00 . . . . . . . 45 VAL C . 28133 1 181 . 1 . 1 45 45 VAL CA C 13 62.129 0.00 . . . . . . . 45 VAL CA . 28133 1 182 . 1 . 1 45 45 VAL CB C 13 32.875 0.01 . . . . . . . 45 VAL CB . 28133 1 183 . 1 . 1 45 45 VAL N N 15 119.229 0.01 . . . . . . . 45 VAL N . 28133 1 184 . 1 . 1 46 46 LYS H H 1 8.485 0.00 . . . . . . . 46 LYS H . 28133 1 185 . 1 . 1 46 46 LYS C C 13 177.000 0.00 . . . . . . . 46 LYS C . 28133 1 186 . 1 . 1 46 46 LYS CA C 13 56.676 0.02 . . . . . . . 46 LYS CA . 28133 1 187 . 1 . 1 46 46 LYS CB C 13 32.918 0.03 . . . . . . . 46 LYS CB . 28133 1 188 . 1 . 1 46 46 LYS N N 15 125.154 0.01 . . . . . . . 46 LYS N . 28133 1 189 . 1 . 1 47 47 GLY H H 1 8.474 0.00 . . . . . . . 47 GLY H . 28133 1 190 . 1 . 1 47 47 GLY C C 13 173.767 0.00 . . . . . . . 47 GLY C . 28133 1 191 . 1 . 1 47 47 GLY CA C 13 45.105 0.07 . . . . . . . 47 GLY CA . 28133 1 192 . 1 . 1 47 47 GLY N N 15 110.798 0.05 . . . . . . . 47 GLY N . 28133 1 193 . 1 . 1 48 48 PHE H H 1 8.204 0.00 . . . . . . . 48 PHE H . 28133 1 194 . 1 . 1 48 48 PHE C C 13 176.314 0.00 . . . . . . . 48 PHE C . 28133 1 195 . 1 . 1 48 48 PHE CA C 13 58.055 0.01 . . . . . . . 48 PHE CA . 28133 1 196 . 1 . 1 48 48 PHE CB C 13 39.668 0.04 . . . . . . . 48 PHE CB . 28133 1 197 . 1 . 1 48 48 PHE N N 15 120.033 0.04 . . . . . . . 48 PHE N . 28133 1 198 . 1 . 1 49 49 GLY H H 1 8.434 0.00 . . . . . . . 49 GLY H . 28133 1 199 . 1 . 1 49 49 GLY C C 13 173.847 0.00 . . . . . . . 49 GLY C . 28133 1 200 . 1 . 1 49 49 GLY CA C 13 45.392 0.00 . . . . . . . 49 GLY CA . 28133 1 201 . 1 . 1 49 49 GLY N N 15 110.861 0.02 . . . . . . . 49 GLY N . 28133 1 202 . 1 . 1 50 50 ASP H H 1 8.219 0.08 . . . . . . . 50 ASP H . 28133 1 203 . 1 . 1 50 50 ASP C C 13 175.840 0.00 . . . . . . . 50 ASP C . 28133 1 204 . 1 . 1 50 50 ASP CA C 13 54.334 0.00 . . . . . . . 50 ASP CA . 28133 1 205 . 1 . 1 50 50 ASP CB C 13 41.289 0.00 . . . . . . . 50 ASP CB . 28133 1 206 . 1 . 1 50 50 ASP N N 15 120.161 0.16 . . . . . . . 50 ASP N . 28133 1 207 . 1 . 1 51 51 ASP H H 1 8.361 0.00 . . . . . . . 51 ASP H . 28133 1 208 . 1 . 1 51 51 ASP C C 13 175.687 0.00 . . . . . . . 51 ASP C . 28133 1 209 . 1 . 1 51 51 ASP CA C 13 54.218 0.03 . . . . . . . 51 ASP CA . 28133 1 210 . 1 . 1 51 51 ASP CB C 13 41.066 0.04 . . . . . . . 51 ASP CB . 28133 1 211 . 1 . 1 51 51 ASP N N 15 119.897 0.01 . . . . . . . 51 ASP N . 28133 1 212 . 1 . 1 52 52 ILE H H 1 8.023 0.00 . . . . . . . 52 ILE H . 28133 1 213 . 1 . 1 52 52 ILE CA C 13 58.761 0.00 . . . . . . . 52 ILE CA . 28133 1 214 . 1 . 1 52 52 ILE CB C 13 38.631 0.00 . . . . . . . 52 ILE CB . 28133 1 215 . 1 . 1 52 52 ILE N N 15 122.404 0.02 . . . . . . . 52 ILE N . 28133 1 216 . 1 . 1 53 53 PRO C C 13 177.562 0.00 . . . . . . . 53 PRO C . 28133 1 217 . 1 . 1 53 53 PRO CA C 13 63.586 0.00 . . . . . . . 53 PRO CA . 28133 1 218 . 1 . 1 53 53 PRO CB C 13 32.029 0.00 . . . . . . . 53 PRO CB . 28133 1 219 . 1 . 1 54 54 GLY H H 1 8.524 0.00 . . . . . . . 54 GLY H . 28133 1 220 . 1 . 1 54 54 GLY C C 13 174.589 0.00 . . . . . . . 54 GLY C . 28133 1 221 . 1 . 1 54 54 GLY CA C 13 45.401 0.00 . . . . . . . 54 GLY CA . 28133 1 222 . 1 . 1 54 54 GLY N N 15 109.529 0.02 . . . . . . . 54 GLY N . 28133 1 223 . 1 . 1 55 55 MET H H 1 8.162 0.00 . . . . . . . 55 MET H . 28133 1 224 . 1 . 1 55 55 MET C C 13 176.357 0.00 . . . . . . . 55 MET C . 28133 1 225 . 1 . 1 55 55 MET CA C 13 55.401 0.01 . . . . . . . 55 MET CA . 28133 1 226 . 1 . 1 55 55 MET CB C 13 32.945 0.08 . . . . . . . 55 MET CB . 28133 1 227 . 1 . 1 55 55 MET N N 15 119.603 0.02 . . . . . . . 55 MET N . 28133 1 228 . 1 . 1 56 56 GLU H H 1 8.616 0.00 . . . . . . . 56 GLU H . 28133 1 229 . 1 . 1 56 56 GLU C C 13 176.921 0.00 . . . . . . . 56 GLU C . 28133 1 230 . 1 . 1 56 56 GLU CA C 13 57.163 0.01 . . . . . . . 56 GLU CA . 28133 1 231 . 1 . 1 56 56 GLU CB C 13 29.981 0.01 . . . . . . . 56 GLU CB . 28133 1 232 . 1 . 1 56 56 GLU N N 15 121.792 0.02 . . . . . . . 56 GLU N . 28133 1 233 . 1 . 1 57 57 GLY H H 1 8.419 0.00 . . . . . . . 57 GLY H . 28133 1 234 . 1 . 1 57 57 GLY C C 13 173.271 0.00 . . . . . . . 57 GLY C . 28133 1 235 . 1 . 1 57 57 GLY CA C 13 45.444 0.00 . . . . . . . 57 GLY CA . 28133 1 236 . 1 . 1 57 57 GLY N N 15 110.136 0.02 . . . . . . . 57 GLY N . 28133 1 237 . 1 . 1 58 58 LEU H H 1 7.671 0.00 . . . . . . . 58 LEU H . 28133 1 238 . 1 . 1 58 58 LEU CA C 13 56.591 0.00 . . . . . . . 58 LEU CA . 28133 1 239 . 1 . 1 58 58 LEU CB C 13 43.279 0.00 . . . . . . . 58 LEU CB . 28133 1 240 . 1 . 1 58 58 LEU N N 15 126.995 0.03 . . . . . . . 58 LEU N . 28133 1 stop_ save_