################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51616 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Q1E_pH28 _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 '3D HNCO' . . . 51616 1 2 '3D HN(CA)CO' . . . 51616 1 3 '3D HN(CO)CA' . . . 51616 1 4 '3D HNCA' . . . 51616 1 5 '3D HN(CO)CACB' . . . 51616 1 6 '2D CON' . . . 51616 1 7 '2D CACO' . . . 51616 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 . . 51616 1 2 $software_2 . . 51616 1 3 $software_3 . . 51616 1 4 $software_4 . . 51616 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 PRO C C 13 177.398 0.000 . 1 . . . . . 51 PRO C . 51616 1 2 . 1 . 1 3 3 PRO CA C 13 63.363 0.000 . 1 . . . . . 51 PRO CA . 51616 1 3 . 1 . 1 4 4 GLY H H 1 8.604 0.000 . 1 . . . . . 52 GLY H . 51616 1 4 . 1 . 1 4 4 GLY C C 13 174.005 0.000 . 1 . . . . . 52 GLY C . 51616 1 5 . 1 . 1 4 4 GLY CA C 13 45.039 0.000 . 1 . . . . . 52 GLY CA . 51616 1 6 . 1 . 1 4 4 GLY N N 15 121.632 0.003 . 1 . . . . . 52 GLY N . 51616 1 7 . 1 . 1 5 5 ALA H H 1 8.338 0.000 . 1 . . . . . 53 ALA H . 51616 1 8 . 1 . 1 5 5 ALA C C 13 178.455 0.000 . 1 . . . . . 53 ALA C . 51616 1 9 . 1 . 1 5 5 ALA CA C 13 53.049 0.000 . 1 . . . . . 53 ALA CA . 51616 1 10 . 1 . 1 5 5 ALA CB C 13 19.180 0.000 . 1 . . . . . 53 ALA CB . 51616 1 11 . 1 . 1 5 5 ALA N N 15 123.877 0.005 . 1 . . . . . 53 ALA N . 51616 1 12 . 1 . 1 6 6 SER H H 1 8.474 0.001 . 1 . . . . . 54 SER H . 51616 1 13 . 1 . 1 6 6 SER C C 13 175.262 0.000 . 1 . . . . . 54 SER C . 51616 1 14 . 1 . 1 6 6 SER CA C 13 58.902 0.000 . 1 . . . . . 54 SER CA . 51616 1 15 . 1 . 1 6 6 SER N N 15 115.264 0.003 . 1 . . . . . 54 SER N . 51616 1 16 . 1 . 1 7 7 LEU H H 1 8.348 0.000 . 1 . . . . . 55 LEU H . 51616 1 17 . 1 . 1 7 7 LEU C C 13 178.278 0.000 . 1 . . . . . 55 LEU C . 51616 1 18 . 1 . 1 7 7 LEU CA C 13 56.521 0.000 . 1 . . . . . 55 LEU CA . 51616 1 19 . 1 . 1 7 7 LEU CB C 13 41.826 0.000 . 1 . . . . . 55 LEU CB . 51616 1 20 . 1 . 1 7 7 LEU N N 15 124.715 0.004 . 1 . . . . . 55 LEU N . 51616 1 21 . 1 . 1 8 8 LEU H H 1 8.082 0.002 . 1 . . . . . 56 LEU H . 51616 1 22 . 1 . 1 8 8 LEU C C 13 178.398 0.000 . 1 . . . . . 56 LEU C . 51616 1 23 . 1 . 1 8 8 LEU CA C 13 56.524 0.000 . 1 . . . . . 56 LEU CA . 51616 1 24 . 1 . 1 8 8 LEU CB C 13 41.844 0.000 . 1 . . . . . 56 LEU CB . 51616 1 25 . 1 . 1 8 8 LEU N N 15 121.045 0.006 . 1 . . . . . 56 LEU N . 51616 1 26 . 1 . 1 9 9 LEU H H 1 7.967 0.001 . 1 . . . . . 57 LEU H . 51616 1 27 . 1 . 1 9 9 LEU C C 13 178.636 0.000 . 1 . . . . . 57 LEU C . 51616 1 28 . 1 . 1 9 9 LEU CA C 13 56.633 0.000 . 1 . . . . . 57 LEU CA . 51616 1 29 . 1 . 1 9 9 LEU CB C 13 41.844 0.000 . 1 . . . . . 57 LEU CB . 51616 1 30 . 1 . 1 9 9 LEU N N 15 121.364 0.008 . 1 . . . . . 57 LEU N . 51616 1 31 . 1 . 1 10 10 LEU H H 1 8.070 0.001 . 1 . . . . . 58 LEU H . 51616 1 32 . 1 . 1 10 10 LEU C C 13 178.937 0.000 . 1 . . . . . 58 LEU C . 51616 1 33 . 1 . 1 10 10 LEU CA C 13 56.898 0.000 . 1 . . . . . 58 LEU CA . 51616 1 34 . 1 . 1 10 10 LEU CB C 13 41.844 0.000 . 1 . . . . . 58 LEU CB . 51616 1 35 . 1 . 1 10 10 LEU N N 15 121.168 0.009 . 1 . . . . . 58 LEU N . 51616 1 36 . 1 . 1 11 11 GLN H H 1 8.309 0.001 . 1 . . . . . 59 GLN H . 51616 1 37 . 1 . 1 11 11 GLN HE21 H 1 7.609 0.000 . 1 . . . . . 59 GLN HE21 . 51616 1 38 . 1 . 1 11 11 GLN C C 13 177.967 0.000 . 1 . . . . . 59 GLN C . 51616 1 39 . 1 . 1 11 11 GLN CA C 13 57.871 0.000 . 1 . . . . . 59 GLN CA . 51616 1 40 . 1 . 1 11 11 GLN CB C 13 28.800 0.000 . 1 . . . . . 59 GLN CB . 51616 1 41 . 1 . 1 11 11 GLN N N 15 119.641 0.009 . 1 . . . . . 59 GLN N . 51616 1 42 . 1 . 1 11 11 GLN NE2 N 15 111.852 0.000 . 1 . . . . . 59 GLN NE2 . 51616 1 43 . 1 . 1 12 12 GLN H H 1 8.353 0.000 . 1 . . . . . 60 GLN H . 51616 1 44 . 1 . 1 12 12 GLN HE21 H 1 7.614 0.000 . 1 . . . . . 60 GLN HE21 . 51616 1 45 . 1 . 1 12 12 GLN C C 13 177.934 0.000 . 1 . . . . . 60 GLN C . 51616 1 46 . 1 . 1 12 12 GLN CA C 13 57.888 0.000 . 1 . . . . . 60 GLN CA . 51616 1 47 . 1 . 1 12 12 GLN CB C 13 28.794 0.000 . 1 . . . . . 60 GLN CB . 51616 1 48 . 1 . 1 12 12 GLN N N 15 120.455 0.000 . 1 . . . . . 60 GLN N . 51616 1 49 . 1 . 1 12 12 GLN NE2 N 15 111.896 0.000 . 1 . . . . . 60 GLN NE2 . 51616 1 50 . 1 . 1 13 13 GLN H H 1 8.451 0.002 . 1 . . . . . 61 GLN H . 51616 1 51 . 1 . 1 13 13 GLN HE21 H 1 7.618 0.000 . 1 . . . . . 61 GLN HE21 . 51616 1 52 . 1 . 1 13 13 GLN C C 13 177.885 0.000 . 1 . . . . . 61 GLN C . 51616 1 53 . 1 . 1 13 13 GLN CA C 13 57.796 0.000 . 1 . . . . . 61 GLN CA . 51616 1 54 . 1 . 1 13 13 GLN CB C 13 28.770 0.000 . 1 . . . . . 61 GLN CB . 51616 1 55 . 1 . 1 13 13 GLN N N 15 120.461 0.002 . 1 . . . . . 61 GLN N . 51616 1 56 . 1 . 1 13 13 GLN NE2 N 15 112.045 0.000 . 1 . . . . . 61 GLN NE2 . 51616 1 57 . 1 . 1 14 14 GLN H H 1 8.409 0.001 . 1 . . . . . 62 GLN H . 51616 1 58 . 1 . 1 14 14 GLN HE21 H 1 7.616 0.000 . 1 . . . . . 62 GLN HE21 . 51616 1 59 . 1 . 1 14 14 GLN C C 13 177.690 0.000 . 1 . . . . . 62 GLN C . 51616 1 60 . 1 . 1 14 14 GLN CA C 13 57.644 0.000 . 1 . . . . . 62 GLN CA . 51616 1 61 . 1 . 1 14 14 GLN CB C 13 28.782 0.000 . 1 . . . . . 62 GLN CB . 51616 1 62 . 1 . 1 14 14 GLN N N 15 120.416 0.003 . 1 . . . . . 62 GLN N . 51616 1 63 . 1 . 1 14 14 GLN NE2 N 15 112.176 0.000 . 1 . . . . . 62 GLN NE2 . 51616 1 64 . 1 . 1 15 15 GLN H H 1 8.339 0.000 . 1 . . . . . 63 GLN H . 51616 1 65 . 1 . 1 15 15 GLN HE21 H 1 7.618 0.000 . 1 . . . . . 63 GLN HE21 . 51616 1 66 . 1 . 1 15 15 GLN C C 13 177.535 0.000 . 1 . . . . . 63 GLN C . 51616 1 67 . 1 . 1 15 15 GLN CA C 13 57.523 0.000 . 1 . . . . . 63 GLN CA . 51616 1 68 . 1 . 1 15 15 GLN CB C 13 28.776 0.000 . 1 . . . . . 63 GLN CB . 51616 1 69 . 1 . 1 15 15 GLN N N 15 120.462 0.000 . 1 . . . . . 63 GLN N . 51616 1 70 . 1 . 1 15 15 GLN NE2 N 15 112.365 0.000 . 1 . . . . . 63 GLN NE2 . 51616 1 71 . 1 . 1 16 16 GLN H H 1 8.344 0.000 . 1 . . . . . 64 GLN H . 51616 1 72 . 1 . 1 16 16 GLN HE21 H 1 7.619 0.000 . 1 . . . . . 64 GLN HE21 . 51616 1 73 . 1 . 1 16 16 GLN C C 13 177.433 0.000 . 1 . . . . . 64 GLN C . 51616 1 74 . 1 . 1 16 16 GLN CA C 13 57.482 0.000 . 1 . . . . . 64 GLN CA . 51616 1 75 . 1 . 1 16 16 GLN CB C 13 28.794 0.000 . 1 . . . . . 64 GLN CB . 51616 1 76 . 1 . 1 16 16 GLN N N 15 120.470 0.003 . 1 . . . . . 64 GLN N . 51616 1 77 . 1 . 1 16 16 GLN NE2 N 15 112.400 0.000 . 1 . . . . . 64 GLN NE2 . 51616 1 78 . 1 . 1 17 17 GLN H H 1 8.352 0.000 . 1 . . . . . 65 GLN H . 51616 1 79 . 1 . 1 17 17 GLN HE21 H 1 7.620 0.000 . 1 . . . . . 65 GLN HE21 . 51616 1 80 . 1 . 1 17 17 GLN C C 13 177.375 0.000 . 1 . . . . . 65 GLN C . 51616 1 81 . 1 . 1 17 17 GLN CA C 13 57.423 0.000 . 1 . . . . . 65 GLN CA . 51616 1 82 . 1 . 1 17 17 GLN CB C 13 28.788 0.000 . 1 . . . . . 65 GLN CB . 51616 1 83 . 1 . 1 17 17 GLN N N 15 120.484 0.000 . 1 . . . . . 65 GLN N . 51616 1 84 . 1 . 1 17 17 GLN NE2 N 15 112.435 0.000 . 1 . . . . . 65 GLN NE2 . 51616 1 85 . 1 . 1 18 18 GLN H H 1 8.360 0.000 . 1 . . . . . 66 GLN H . 51616 1 86 . 1 . 1 18 18 GLN HE21 H 1 7.620 0.000 . 1 . . . . . 66 GLN HE21 . 51616 1 87 . 1 . 1 18 18 GLN C C 13 177.315 0.000 . 1 . . . . . 66 GLN C . 51616 1 88 . 1 . 1 18 18 GLN CA C 13 57.319 0.000 . 1 . . . . . 66 GLN CA . 51616 1 89 . 1 . 1 18 18 GLN CB C 13 28.819 0.000 . 1 . . . . . 66 GLN CB . 51616 1 90 . 1 . 1 18 18 GLN N N 15 120.500 0.000 . 1 . . . . . 66 GLN N . 51616 1 91 . 1 . 1 18 18 GLN NE2 N 15 112.465 0.000 . 1 . . . . . 66 GLN NE2 . 51616 1 92 . 1 . 1 19 19 GLN H H 1 8.365 0.000 . 1 . . . . . 67 GLN H . 51616 1 93 . 1 . 1 19 19 GLN HE21 H 1 7.622 0.000 . 1 . . . . . 67 GLN HE21 . 51616 1 94 . 1 . 1 19 19 GLN C C 13 177.252 0.000 . 1 . . . . . 67 GLN C . 51616 1 95 . 1 . 1 19 19 GLN CA C 13 57.223 0.000 . 1 . . . . . 67 GLN CA . 51616 1 96 . 1 . 1 19 19 GLN CB C 13 28.855 0.000 . 1 . . . . . 67 GLN CB . 51616 1 97 . 1 . 1 19 19 GLN N N 15 120.516 0.001 . 1 . . . . . 67 GLN N . 51616 1 98 . 1 . 1 19 19 GLN NE2 N 15 112.513 0.000 . 1 . . . . . 67 GLN NE2 . 51616 1 99 . 1 . 1 20 20 GLN H H 1 8.373 0.001 . 1 . . . . . 68 GLN H . 51616 1 100 . 1 . 1 20 20 GLN HE21 H 1 7.624 0.000 . 1 . . . . . 68 GLN HE21 . 51616 1 101 . 1 . 1 20 20 GLN C C 13 177.190 0.000 . 1 . . . . . 68 GLN C . 51616 1 102 . 1 . 1 20 20 GLN CA C 13 57.104 0.000 . 1 . . . . . 68 GLN CA . 51616 1 103 . 1 . 1 20 20 GLN CB C 13 28.909 0.000 . 1 . . . . . 68 GLN CB . 51616 1 104 . 1 . 1 20 20 GLN N N 15 120.539 0.001 . 1 . . . . . 68 GLN N . 51616 1 105 . 1 . 1 20 20 GLN NE2 N 15 112.580 0.000 . 1 . . . . . 68 GLN NE2 . 51616 1 106 . 1 . 1 21 21 GLN H H 1 8.380 0.000 . 1 . . . . . 69 GLN H . 51616 1 107 . 1 . 1 21 21 GLN HE21 H 1 7.626 0.000 . 1 . . . . . 69 GLN HE21 . 51616 1 108 . 1 . 1 21 21 GLN C C 13 177.066 0.000 . 1 . . . . . 69 GLN C . 51616 1 109 . 1 . 1 21 21 GLN CA C 13 56.963 0.000 . 1 . . . . . 69 GLN CA . 51616 1 110 . 1 . 1 21 21 GLN CB C 13 29.017 0.000 . 1 . . . . . 69 GLN CB . 51616 1 111 . 1 . 1 21 21 GLN N N 15 120.574 0.001 . 1 . . . . . 69 GLN N . 51616 1 112 . 1 . 1 21 21 GLN NE2 N 15 112.631 0.000 . 1 . . . . . 69 GLN NE2 . 51616 1 113 . 1 . 1 22 22 GLN H H 1 8.389 0.000 . 1 . . . . . 70 GLN H . 51616 1 114 . 1 . 1 22 22 GLN HE21 H 1 7.628 0.000 . 1 . . . . . 70 GLN HE21 . 51616 1 115 . 1 . 1 22 22 GLN C C 13 176.958 0.000 . 1 . . . . . 70 GLN C . 51616 1 116 . 1 . 1 22 22 GLN CA C 13 56.851 0.000 . 1 . . . . . 70 GLN CA . 51616 1 117 . 1 . 1 22 22 GLN CB C 13 28.999 0.000 . 1 . . . . . 70 GLN CB . 51616 1 118 . 1 . 1 22 22 GLN N N 15 120.595 0.000 . 1 . . . . . 70 GLN N . 51616 1 119 . 1 . 1 22 22 GLN NE2 N 15 112.663 0.000 . 1 . . . . . 70 GLN NE2 . 51616 1 120 . 1 . 1 23 23 GLN H H 1 8.399 0.001 . 1 . . . . . 71 GLN H . 51616 1 121 . 1 . 1 23 23 GLN HE21 H 1 7.630 0.000 . 1 . . . . . 71 GLN HE21 . 51616 1 122 . 1 . 1 23 23 GLN C C 13 176.811 0.000 . 1 . . . . . 71 GLN C . 51616 1 123 . 1 . 1 23 23 GLN CA C 13 56.680 0.000 . 1 . . . . . 71 GLN CA . 51616 1 124 . 1 . 1 23 23 GLN CB C 13 29.125 0.000 . 1 . . . . . 71 GLN CB . 51616 1 125 . 1 . 1 23 23 GLN N N 15 120.614 0.001 . 1 . . . . . 71 GLN N . 51616 1 126 . 1 . 1 23 23 GLN NE2 N 15 112.730 0.000 . 1 . . . . . 71 GLN NE2 . 51616 1 127 . 1 . 1 24 24 GLN H H 1 8.401 0.001 . 1 . . . . . 72 GLN H . 51616 1 128 . 1 . 1 24 24 GLN HE21 H 1 7.637 0.000 . 1 . . . . . 72 GLN HE21 . 51616 1 129 . 1 . 1 24 24 GLN C C 13 176.534 0.000 . 1 . . . . . 72 GLN C . 51616 1 130 . 1 . 1 24 24 GLN CA C 13 56.362 0.000 . 1 . . . . . 72 GLN CA . 51616 1 131 . 1 . 1 24 24 GLN CB C 13 29.161 0.000 . 1 . . . . . 72 GLN CB . 51616 1 132 . 1 . 1 24 24 GLN N N 15 120.665 0.000 . 1 . . . . . 72 GLN N . 51616 1 133 . 1 . 1 24 24 GLN NE2 N 15 112.870 0.000 . 1 . . . . . 72 GLN NE2 . 51616 1 134 . 1 . 1 25 25 GLN H H 1 8.411 0.002 . 1 . . . . . 73 GLN H . 51616 1 135 . 1 . 1 25 25 GLN HE21 H 1 7.645 0.000 . 1 . . . . . 73 GLN HE21 . 51616 1 136 . 1 . 1 25 25 GLN C C 13 176.232 0.000 . 1 . . . . . 73 GLN C . 51616 1 137 . 1 . 1 25 25 GLN CA C 13 56.094 0.000 . 1 . . . . . 73 GLN CA . 51616 1 138 . 1 . 1 25 25 GLN CB C 13 29.286 0.000 . 1 . . . . . 73 GLN CB . 51616 1 139 . 1 . 1 25 25 GLN N N 15 120.868 0.002 . 1 . . . . . 73 GLN N . 51616 1 140 . 1 . 1 25 25 GLN NE2 N 15 112.986 0.000 . 1 . . . . . 73 GLN NE2 . 51616 1 141 . 1 . 1 26 26 GLN H H 1 8.427 0.000 . 1 . . . . . 74 GLN H . 51616 1 142 . 1 . 1 26 26 GLN HE21 H 1 7.647 0.000 . 1 . . . . . 74 GLN HE21 . 51616 1 143 . 1 . 1 26 26 GLN C C 13 175.954 0.000 . 1 . . . . . 74 GLN C . 51616 1 144 . 1 . 1 26 26 GLN CA C 13 55.882 0.000 . 1 . . . . . 74 GLN CA . 51616 1 145 . 1 . 1 26 26 GLN CB C 13 29.286 0.000 . 1 . . . . . 74 GLN CB . 51616 1 146 . 1 . 1 26 26 GLN N N 15 121.418 0.002 . 1 . . . . . 74 GLN N . 51616 1 147 . 1 . 1 26 26 GLN NE2 N 15 113.029 0.000 . 1 . . . . . 74 GLN NE2 . 51616 1 148 . 1 . 1 27 27 LYS H H 1 8.447 0.001 . 1 . . . . . 75 LYS H . 51616 1 149 . 1 . 1 27 27 LYS C C 13 176.566 0.000 . 1 . . . . . 75 LYS C . 51616 1 150 . 1 . 1 27 27 LYS CA C 13 56.363 0.000 . 1 . . . . . 75 LYS CA . 51616 1 151 . 1 . 1 27 27 LYS CB C 13 32.993 0.000 . 1 . . . . . 75 LYS CB . 51616 1 152 . 1 . 1 27 27 LYS N N 15 123.223 0.002 . 1 . . . . . 75 LYS N . 51616 1 153 . 1 . 1 28 28 LYS H H 1 8.627 0.001 . 1 . . . . . 76 LYS H . 51616 1 154 . 1 . 1 28 28 LYS C C 13 178.297 0.000 . 1 . . . . . 76 LYS C . 51616 1 155 . 1 . 1 28 28 LYS N N 15 124.069 0.003 . 1 . . . . . 76 LYS N . 51616 1 stop_ save_