################################### # 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 50468 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone 1H, 13C and 15N Chemical Shift Assignments for Retracted State of S65-phosphorylated NEDD8' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50468 1 2 '2D 1H-15N TROSY-HSQC' . . . 50468 1 3 '3D TROSY-HNCA' . . . 50468 1 4 '3D TROSY-HNCO' . . . 50468 1 5 '3D TROSY-HN(CO)CACB' . . . 50468 1 6 '3D TROSY-HNCACB' . . . 50468 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 3 $software_3 . . 50468 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 2 2 LEU H H 1 8.60232 . . 1 . . . . . 2 LEU H . 50468 1 2 . 1 . 1 2 2 LEU C C 13 172.69674 . . 1 . . . . . 2 LEU C . 50468 1 3 . 1 . 1 2 2 LEU CA C 13 52.22388 . . 1 . . . . . 2 LEU CA . 50468 1 4 . 1 . 1 2 2 LEU N N 15 128.40508 . . 1 . . . . . 2 LEU N . 50468 1 5 . 1 . 1 3 3 ILE H H 1 8.94553 . . 1 . . . . . 3 ILE H . 50468 1 6 . 1 . 1 3 3 ILE C C 13 171.72005 . . 1 . . . . . 3 ILE C . 50468 1 7 . 1 . 1 3 3 ILE CA C 13 56.18855 . . 1 . . . . . 3 ILE CA . 50468 1 8 . 1 . 1 3 3 ILE N N 15 122.42847 . . 1 . . . . . 3 ILE N . 50468 1 9 . 1 . 1 4 4 LYS H H 1 8.39894 . . 1 . . . . . 4 LYS H . 50468 1 10 . 1 . 1 4 4 LYS C C 13 172.50048 . . 1 . . . . . 4 LYS C . 50468 1 11 . 1 . 1 4 4 LYS CA C 13 51.81313 . . 1 . . . . . 4 LYS CA . 50468 1 12 . 1 . 1 4 4 LYS N N 15 123.04372 . . 1 . . . . . 4 LYS N . 50468 1 13 . 1 . 1 5 5 VAL H H 1 8.89468 . . 1 . . . . . 5 VAL H . 50468 1 14 . 1 . 1 5 5 VAL C C 13 171.91544 . . 1 . . . . . 5 VAL C . 50468 1 15 . 1 . 1 5 5 VAL CA C 13 57.69281 . . 1 . . . . . 5 VAL CA . 50468 1 16 . 1 . 1 5 5 VAL N N 15 122.95578 . . 1 . . . . . 5 VAL N . 50468 1 17 . 1 . 1 6 6 LYS H H 1 8.75486 . . 1 . . . . . 6 LYS H . 50468 1 18 . 1 . 1 6 6 LYS C C 13 173.86835 . . 1 . . . . . 6 LYS C . 50468 1 19 . 1 . 1 6 6 LYS CA C 13 52.49744 . . 1 . . . . . 6 LYS CA . 50468 1 20 . 1 . 1 6 6 LYS N N 15 128.31708 . . 1 . . . . . 6 LYS N . 50468 1 21 . 1 . 1 7 7 THR H H 1 8.75485 . . 1 . . . . . 7 THR H . 50468 1 22 . 1 . 1 7 7 THR C C 13 174.06375 . . 1 . . . . . 7 THR C . 50468 1 23 . 1 . 1 7 7 THR CA C 13 58.23950 . . 1 . . . . . 7 THR CA . 50468 1 24 . 1 . 1 7 7 THR N N 15 116.53972 . . 1 . . . . . 7 THR N . 50468 1 25 . 1 . 1 8 8 LEU H H 1 8.65318 . . 1 . . . . . 8 LEU H . 50468 1 26 . 1 . 1 8 8 LEU CA C 13 54.82150 . . 1 . . . . . 8 LEU CA . 50468 1 27 . 1 . 1 8 8 LEU N N 15 119.70385 . . 1 . . . . . 8 LEU N . 50468 1 28 . 1 . 1 9 9 THR C C 13 172.89196 . . 1 . . . . . 9 THR C . 50468 1 29 . 1 . 1 9 9 THR CA C 13 58.78620 . . 1 . . . . . 9 THR CA . 50468 1 30 . 1 . 1 10 10 GLY H H 1 7.73800 . . 1 . . . . . 10 GLY H . 50468 1 31 . 1 . 1 10 10 GLY C C 13 171.13417 . . 1 . . . . . 10 GLY C . 50468 1 32 . 1 . 1 10 10 GLY CA C 13 42.65332 . . 1 . . . . . 10 GLY CA . 50468 1 33 . 1 . 1 10 10 GLY N N 15 109.68427 . . 1 . . . . . 10 GLY N . 50468 1 34 . 1 . 1 11 11 LYS H H 1 7.15329 . . 1 . . . . . 11 LYS H . 50468 1 35 . 1 . 1 11 11 LYS C C 13 172.50067 . . 1 . . . . . 11 LYS C . 50468 1 36 . 1 . 1 11 11 LYS CA C 13 53.31754 . . 1 . . . . . 11 LYS CA . 50468 1 37 . 1 . 1 11 11 LYS N N 15 121.19791 . . 1 . . . . . 11 LYS N . 50468 1 38 . 1 . 1 12 12 GLU H H 1 8.60231 . . 1 . . . . . 12 GLU H . 50468 1 39 . 1 . 1 12 12 GLU C C 13 173.28262 . . 1 . . . . . 12 GLU C . 50468 1 40 . 1 . 1 12 12 GLU CA C 13 52.63396 . . 1 . . . . . 12 GLU CA . 50468 1 41 . 1 . 1 12 12 GLU N N 15 124.09832 . . 1 . . . . . 12 GLU N . 50468 1 42 . 1 . 1 13 13 ILE H H 1 8.99635 . . 1 . . . . . 13 ILE H . 50468 1 43 . 1 . 1 13 13 ILE C C 13 171.72007 . . 1 . . . . . 13 ILE C . 50468 1 44 . 1 . 1 13 13 ILE CA C 13 57.14570 . . 1 . . . . . 13 ILE CA . 50468 1 45 . 1 . 1 13 13 ILE N N 15 122.69203 . . 1 . . . . . 13 ILE N . 50468 1 46 . 1 . 1 14 14 GLU H H 1 8.47522 . . 1 . . . . . 14 GLU H . 50468 1 47 . 1 . 1 14 14 GLU C C 13 173.08725 . . 1 . . . . . 14 GLU C . 50468 1 48 . 1 . 1 14 14 GLU CA C 13 52.49725 . . 1 . . . . . 14 GLU CA . 50468 1 49 . 1 . 1 14 14 GLU N N 15 124.01038 . . 1 . . . . . 14 GLU N . 50468 1 50 . 1 . 1 15 15 ILE H H 1 8.74215 . . 1 . . . . . 15 ILE H . 50468 1 51 . 1 . 1 15 15 ILE C C 13 170.15758 . . 1 . . . . . 15 ILE C . 50468 1 52 . 1 . 1 15 15 ILE CA C 13 56.46200 . . 1 . . . . . 15 ILE CA . 50468 1 53 . 1 . 1 15 15 ILE N N 15 122.07679 . . 1 . . . . . 15 ILE N . 50468 1 54 . 1 . 1 16 16 ASP H H 1 8.27184 . . 1 . . . . . 16 ASP H . 50468 1 55 . 1 . 1 16 16 ASP C C 13 172.89190 . . 1 . . . . . 16 ASP C . 50468 1 56 . 1 . 1 16 16 ASP CA C 13 50.58309 . . 1 . . . . . 16 ASP CA . 50468 1 57 . 1 . 1 16 16 ASP N N 15 125.50466 . . 1 . . . . . 16 ASP N . 50468 1 58 . 1 . 1 17 17 ILE H H 1 8.55149 . . 1 . . . . . 17 ILE H . 50468 1 59 . 1 . 1 17 17 ILE C C 13 172.11075 . . 1 . . . . . 17 ILE C . 50468 1 60 . 1 . 1 17 17 ILE CA C 13 55.91505 . . 1 . . . . . 17 ILE CA . 50468 1 61 . 1 . 1 17 17 ILE N N 15 119.70380 . . 1 . . . . . 17 ILE N . 50468 1 62 . 1 . 1 18 18 GLU H H 1 8.56419 . . 1 . . . . . 18 GLU H . 50468 1 63 . 1 . 1 18 18 GLU CA C 13 50.99322 . . 1 . . . . . 18 GLU CA . 50468 1 64 . 1 . 1 18 18 GLU N N 15 122.25266 . . 1 . . . . . 18 GLU N . 50468 1 65 . 1 . 1 19 19 PRO C C 13 173.08733 . . 1 . . . . . 19 PRO C . 50468 1 66 . 1 . 1 19 19 PRO CA C 13 62.47780 . . 1 . . . . . 19 PRO CA . 50468 1 67 . 1 . 1 20 20 THR H H 1 6.70841 . . 1 . . . . . 20 THR H . 50468 1 68 . 1 . 1 20 20 THR C C 13 172.11054 . . 1 . . . . . 20 THR C . 50468 1 69 . 1 . 1 20 20 THR CA C 13 57.96609 . . 1 . . . . . 20 THR CA . 50468 1 70 . 1 . 1 20 20 THR N N 15 99.04943 . . 1 . . . . . 20 THR N . 50468 1 71 . 1 . 1 21 21 ASP C C 13 173.47779 . . 1 . . . . . 21 ASP C . 50468 1 72 . 1 . 1 21 21 ASP CA C 13 52.49717 . . 1 . . . . . 21 ASP CA . 50468 1 73 . 1 . 1 22 22 LYS H H 1 8.46250 . . 1 . . . . . 22 LYS H . 50468 1 74 . 1 . 1 22 22 LYS C C 13 175.82180 . . 1 . . . . . 22 LYS C . 50468 1 75 . 1 . 1 22 22 LYS CA C 13 53.04411 . . 1 . . . . . 22 LYS CA . 50468 1 76 . 1 . 1 22 22 LYS N N 15 119.00035 . . 1 . . . . . 22 LYS N . 50468 1 77 . 1 . 1 23 23 VAL H H 1 8.89467 . . 1 . . . . . 23 VAL H . 50468 1 78 . 1 . 1 23 23 VAL C C 13 175.62642 . . 1 . . . . . 23 VAL C . 50468 1 79 . 1 . 1 23 23 VAL CA C 13 63.98162 . . 1 . . . . . 23 VAL CA . 50468 1 80 . 1 . 1 23 23 VAL N N 15 124.18624 . . 1 . . . . . 23 VAL N . 50468 1 81 . 1 . 1 24 24 GLU H H 1 8.22099 . . 1 . . . . . 24 GLU H . 50468 1 82 . 1 . 1 24 24 GLU C C 13 175.23590 . . 1 . . . . . 24 GLU C . 50468 1 83 . 1 . 1 24 24 GLU CA C 13 57.00877 . . 1 . . . . . 24 GLU CA . 50468 1 84 . 1 . 1 24 24 GLU N N 15 117.50661 . . 1 . . . . . 24 GLU N . 50468 1 85 . 1 . 1 25 25 ARG H H 1 7.59817 . . 1 . . . . . 25 ARG H . 50468 1 86 . 1 . 1 25 25 ARG C C 13 176.60284 . . 1 . . . . . 25 ARG C . 50468 1 87 . 1 . 1 25 25 ARG CA C 13 54.95801 . . 1 . . . . . 25 ARG CA . 50468 1 88 . 1 . 1 25 25 ARG N N 15 118.82500 . . 1 . . . . . 25 ARG N . 50468 1 89 . 1 . 1 26 26 ILE H H 1 7.89053 . . 1 . . . . . 26 ILE H . 50468 1 90 . 1 . 1 26 26 ILE C C 13 175.43112 . . 1 . . . . . 26 ILE C . 50468 1 91 . 1 . 1 26 26 ILE CA C 13 63.70828 . . 1 . . . . . 26 ILE CA . 50468 1 92 . 1 . 1 26 26 ILE N N 15 119.61594 . . 1 . . . . . 26 ILE N . 50468 1 93 . 1 . 1 27 27 LYS H H 1 7.38209 . . 1 . . . . . 27 LYS H . 50468 1 94 . 1 . 1 27 27 LYS C C 13 177.77481 . . 1 . . . . . 27 LYS C . 50468 1 95 . 1 . 1 27 27 LYS CA C 13 56.32522 . . 1 . . . . . 27 LYS CA . 50468 1 96 . 1 . 1 27 27 LYS N N 15 116.27614 . . 1 . . . . . 27 LYS N . 50468 1 97 . 1 . 1 28 28 GLU H H 1 7.44563 . . 1 . . . . . 28 GLU H . 50468 1 98 . 1 . 1 28 28 GLU C C 13 176.79824 . . 1 . . . . . 28 GLU C . 50468 1 99 . 1 . 1 28 28 GLU CA C 13 57.00879 . . 1 . . . . . 28 GLU CA . 50468 1 100 . 1 . 1 28 28 GLU N N 15 120.23129 . . 1 . . . . . 28 GLU N . 50468 1 101 . 1 . 1 29 29 ARG H H 1 7.94137 . . 1 . . . . . 29 ARG H . 50468 1 102 . 1 . 1 29 29 ARG C C 13 177.18861 . . 1 . . . . . 29 ARG C . 50468 1 103 . 1 . 1 29 29 ARG CA C 13 55.36810 . . 1 . . . . . 29 ARG CA . 50468 1 104 . 1 . 1 29 29 ARG N N 15 119.70387 . . 1 . . . . . 29 ARG N . 50468 1 105 . 1 . 1 30 30 VAL H H 1 8.48793 . . 1 . . . . . 30 VAL H . 50468 1 106 . 1 . 1 30 30 VAL C C 13 175.43121 . . 1 . . . . . 30 VAL C . 50468 1 107 . 1 . 1 30 30 VAL CA C 13 64.39180 . . 1 . . . . . 30 VAL CA . 50468 1 108 . 1 . 1 30 30 VAL N N 15 121.37376 . . 1 . . . . . 30 VAL N . 50468 1 109 . 1 . 1 31 31 GLU H H 1 8.32268 . . 1 . . . . . 31 GLU H . 50468 1 110 . 1 . 1 31 31 GLU C C 13 176.40764 . . 1 . . . . . 31 GLU C . 50468 1 111 . 1 . 1 31 31 GLU CA C 13 57.55577 . . 1 . . . . . 31 GLU CA . 50468 1 112 . 1 . 1 31 31 GLU N N 15 123.04373 . . 1 . . . . . 31 GLU N . 50468 1 113 . 1 . 1 32 32 GLU H H 1 7.66172 . . 1 . . . . . 32 GLU H . 50468 1 114 . 1 . 1 32 32 GLU C C 13 175.23581 . . 1 . . . . . 32 GLU C . 50468 1 115 . 1 . 1 32 32 GLU CA C 13 56.59857 . . 1 . . . . . 32 GLU CA . 50468 1 116 . 1 . 1 32 32 GLU N N 15 119.00034 . . 1 . . . . . 32 GLU N . 50468 1 117 . 1 . 1 33 33 LYS H H 1 7.25498 . . 1 . . . . . 33 LYS H . 50468 1 118 . 1 . 1 33 33 LYS C C 13 175.04042 . . 1 . . . . . 33 LYS C . 50468 1 119 . 1 . 1 33 33 LYS CA C 13 55.09507 . . 1 . . . . . 33 LYS CA . 50468 1 120 . 1 . 1 33 33 LYS N N 15 114.95759 . . 1 . . . . . 33 LYS N . 50468 1 121 . 1 . 1 34 34 GLU H H 1 8.65317 . . 1 . . . . . 34 GLU H . 50468 1 122 . 1 . 1 34 34 GLU C C 13 175.43113 . . 1 . . . . . 34 GLU C . 50468 1 123 . 1 . 1 34 34 GLU CA C 13 52.77089 . . 1 . . . . . 34 GLU CA . 50468 1 124 . 1 . 1 34 34 GLU N N 15 114.60605 . . 1 . . . . . 34 GLU N . 50468 1 125 . 1 . 1 35 35 GLY H H 1 8.51333 . . 1 . . . . . 35 GLY H . 50468 1 126 . 1 . 1 35 35 GLY C C 13 170.93876 . . 1 . . . . . 35 GLY C . 50468 1 127 . 1 . 1 35 35 GLY CA C 13 43.33694 . . 1 . . . . . 35 GLY CA . 50468 1 128 . 1 . 1 35 35 GLY N N 15 108.80537 . . 1 . . . . . 35 GLY N . 50468 1 129 . 1 . 1 36 36 ILE H H 1 6.06015 . . 1 . . . . . 36 ILE H . 50468 1 130 . 1 . 1 36 36 ILE CA C 13 54.95807 . . 1 . . . . . 36 ILE CA . 50468 1 131 . 1 . 1 36 36 ILE N N 15 120.23119 . . 1 . . . . . 36 ILE N . 50468 1 132 . 1 . 1 38 38 PRO C C 13 176.01714 . . 1 . . . . . 38 PRO C . 50468 1 133 . 1 . 1 38 38 PRO CA C 13 63.57160 . . 1 . . . . . 38 PRO CA . 50468 1 134 . 1 . 1 39 39 GLN H H 1 8.86925 . . 1 . . . . . 39 GLN H . 50468 1 135 . 1 . 1 39 39 GLN C C 13 174.25927 . . 1 . . . . . 39 GLN C . 50468 1 136 . 1 . 1 39 39 GLN CA C 13 55.77836 . . 1 . . . . . 39 GLN CA . 50468 1 137 . 1 . 1 39 39 GLN N N 15 114.43034 . . 1 . . . . . 39 GLN N . 50468 1 138 . 1 . 1 40 40 GLN H H 1 7.85238 . . 1 . . . . . 40 GLN H . 50468 1 139 . 1 . 1 40 40 GLN C C 13 172.50041 . . 1 . . . . . 40 GLN C . 50468 1 140 . 1 . 1 40 40 GLN CA C 13 53.04388 . . 1 . . . . . 40 GLN CA . 50468 1 141 . 1 . 1 40 40 GLN N N 15 116.01250 . . 1 . . . . . 40 GLN N . 50468 1 142 . 1 . 1 41 41 GLN H H 1 7.42022 . . 1 . . . . . 41 GLN H . 50468 1 143 . 1 . 1 41 41 GLN C C 13 173.67336 . . 1 . . . . . 41 GLN C . 50468 1 144 . 1 . 1 41 41 GLN CA C 13 54.00036 . . 1 . . . . . 41 GLN CA . 50468 1 145 . 1 . 1 41 41 GLN N N 15 118.20961 . . 1 . . . . . 41 GLN N . 50468 1 146 . 1 . 1 42 42 ARG H H 1 8.61503 . . 1 . . . . . 42 ARG H . 50468 1 147 . 1 . 1 42 42 ARG C C 13 171.32941 . . 1 . . . . . 42 ARG C . 50468 1 148 . 1 . 1 42 42 ARG CA C 13 52.08717 . . 1 . . . . . 42 ARG CA . 50468 1 149 . 1 . 1 42 42 ARG N N 15 122.25262 . . 1 . . . . . 42 ARG N . 50468 1 150 . 1 . 1 43 43 LEU H H 1 8.36082 . . 1 . . . . . 43 LEU H . 50468 1 151 . 1 . 1 43 43 LEU C C 13 172.69650 . . 1 . . . . . 43 LEU C . 50468 1 152 . 1 . 1 43 43 LEU CA C 13 50.58336 . . 1 . . . . . 43 LEU CA . 50468 1 153 . 1 . 1 43 43 LEU N N 15 123.74680 . . 1 . . . . . 43 LEU N . 50468 1 154 . 1 . 1 44 44 ILE H H 1 9.18702 . . 1 . . . . . 44 ILE H . 50468 1 155 . 1 . 1 44 44 ILE C C 13 172.11075 . . 1 . . . . . 44 ILE C . 50468 1 156 . 1 . 1 44 44 ILE CA C 13 57.14580 . . 1 . . . . . 44 ILE CA . 50468 1 157 . 1 . 1 44 44 ILE N N 15 124.27417 . . 1 . . . . . 44 ILE N . 50468 1 158 . 1 . 1 45 45 TYR H H 1 8.78028 . . 1 . . . . . 45 TYR H . 50468 1 159 . 1 . 1 45 45 TYR CA C 13 53.86411 . . 1 . . . . . 45 TYR CA . 50468 1 160 . 1 . 1 45 45 TYR N N 15 126.73505 . . 1 . . . . . 45 TYR N . 50468 1 161 . 1 . 1 46 46 SER C C 13 172.69650 . . 1 . . . . . 46 SER C . 50468 1 162 . 1 . 1 47 47 GLY C C 13 170.93898 . . 1 . . . . . 47 GLY C . 50468 1 163 . 1 . 1 47 47 GLY CA C 13 42.51680 . . 1 . . . . . 47 GLY CA . 50468 1 164 . 1 . 1 48 48 LYS H H 1 7.81425 . . 1 . . . . . 48 LYS H . 50468 1 165 . 1 . 1 48 48 LYS CA C 13 51.67686 . . 1 . . . . . 48 LYS CA . 50468 1 166 . 1 . 1 48 48 LYS N N 15 121.37380 . . 1 . . . . . 48 LYS N . 50468 1 167 . 1 . 1 50 50 MET CA C 13 53.86432 . . 1 . . . . . 50 MET CA . 50468 1 168 . 1 . 1 51 51 ASN H H 1 8.00491 . . 1 . . . . . 51 ASN H . 50468 1 169 . 1 . 1 51 51 ASN C C 13 172.69611 . . 1 . . . . . 51 ASN C . 50468 1 170 . 1 . 1 51 51 ASN CA C 13 50.17292 . . 1 . . . . . 51 ASN CA . 50468 1 171 . 1 . 1 51 51 ASN N N 15 121.90109 . . 1 . . . . . 51 ASN N . 50468 1 172 . 1 . 1 52 52 ASP H H 1 8.53877 . . 1 . . . . . 52 ASP H . 50468 1 173 . 1 . 1 52 52 ASP C C 13 173.67299 . . 1 . . . . . 52 ASP C . 50468 1 174 . 1 . 1 52 52 ASP CA C 13 54.95799 . . 1 . . . . . 52 ASP CA . 50468 1 175 . 1 . 1 52 52 ASP N N 15 124.44988 . . 1 . . . . . 52 ASP N . 50468 1 176 . 1 . 1 53 53 GLU H H 1 8.51335 . . 1 . . . . . 53 GLU H . 50468 1 177 . 1 . 1 53 53 GLU C C 13 175.04734 . . 1 . . . . . 53 GLU C . 50468 1 178 . 1 . 1 53 53 GLU CA C 13 53.86456 . . 1 . . . . . 53 GLU CA . 50468 1 179 . 1 . 1 53 53 GLU N N 15 114.07877 . . 1 . . . . . 53 GLU N . 50468 1 180 . 1 . 1 54 54 LYS H H 1 7.43293 . . 1 . . . . . 54 LYS H . 50468 1 181 . 1 . 1 54 54 LYS C C 13 172.50085 . . 1 . . . . . 54 LYS C . 50468 1 182 . 1 . 1 54 54 LYS CA C 13 52.77062 . . 1 . . . . . 54 LYS CA . 50468 1 183 . 1 . 1 54 54 LYS N N 15 120.14335 . . 1 . . . . . 54 LYS N . 50468 1 184 . 1 . 1 55 55 THR H H 1 8.93281 . . 1 . . . . . 55 THR H . 50468 1 185 . 1 . 1 55 55 THR C C 13 173.86872 . . 1 . . . . . 55 THR C . 50468 1 186 . 1 . 1 55 55 THR CA C 13 57.69240 . . 1 . . . . . 55 THR CA . 50468 1 187 . 1 . 1 55 55 THR N N 15 109.68431 . . 1 . . . . . 55 THR N . 50468 1 188 . 1 . 1 56 56 ALA H H 1 8.46250 . . 1 . . . . . 56 ALA H . 50468 1 189 . 1 . 1 56 56 ALA C C 13 176.99360 . . 1 . . . . . 56 ALA C . 50468 1 190 . 1 . 1 56 56 ALA CA C 13 53.18098 . . 1 . . . . . 56 ALA CA . 50468 1 191 . 1 . 1 56 56 ALA N N 15 123.13161 . . 1 . . . . . 56 ALA N . 50468 1 192 . 1 . 1 57 57 ALA H H 1 8.44979 . . 1 . . . . . 57 ALA H . 50468 1 193 . 1 . 1 57 57 ALA C C 13 176.60296 . . 1 . . . . . 57 ALA C . 50468 1 194 . 1 . 1 57 57 ALA CA C 13 51.54002 . . 1 . . . . . 57 ALA CA . 50468 1 195 . 1 . 1 57 57 ALA N N 15 118.38550 . . 1 . . . . . 57 ALA N . 50468 1 196 . 1 . 1 58 58 ASP H H 1 7.64900 . . 1 . . . . . 58 ASP H . 50468 1 197 . 1 . 1 58 58 ASP C C 13 174.06383 . . 1 . . . . . 58 ASP C . 50468 1 198 . 1 . 1 58 58 ASP CA C 13 54.13791 . . 1 . . . . . 58 ASP CA . 50468 1 199 . 1 . 1 58 58 ASP N N 15 117.15487 . . 1 . . . . . 58 ASP N . 50468 1 200 . 1 . 1 59 59 TYR H H 1 7.38208 . . 1 . . . . . 59 TYR H . 50468 1 201 . 1 . 1 59 59 TYR C C 13 172.30579 . . 1 . . . . . 59 TYR C . 50468 1 202 . 1 . 1 59 59 TYR CA C 13 56.87220 . . 1 . . . . . 59 TYR CA . 50468 1 203 . 1 . 1 59 59 TYR N N 15 117.41872 . . 1 . . . . . 59 TYR N . 50468 1 204 . 1 . 1 60 60 LYS H H 1 7.90322 . . 1 . . . . . 60 LYS H . 50468 1 205 . 1 . 1 60 60 LYS C C 13 174.45438 . . 1 . . . . . 60 LYS C . 50468 1 206 . 1 . 1 60 60 LYS CA C 13 54.41109 . . 1 . . . . . 60 LYS CA . 50468 1 207 . 1 . 1 60 60 LYS N N 15 121.28592 . . 1 . . . . . 60 LYS N . 50468 1 208 . 1 . 1 61 61 ILE H H 1 7.83968 . . 1 . . . . . 61 ILE H . 50468 1 209 . 1 . 1 61 61 ILE C C 13 173.47777 . . 1 . . . . . 61 ILE C . 50468 1 210 . 1 . 1 61 61 ILE CA C 13 59.88002 . . 1 . . . . . 61 ILE CA . 50468 1 211 . 1 . 1 61 61 ILE N N 15 120.49483 . . 1 . . . . . 61 ILE N . 50468 1 212 . 1 . 1 62 62 LEU H H 1 7.87780 . . 1 . . . . . 62 LEU H . 50468 1 213 . 1 . 1 62 62 LEU CA C 13 52.77064 . . 1 . . . . . 62 LEU CA . 50468 1 214 . 1 . 1 62 62 LEU N N 15 123.83467 . . 1 . . . . . 62 LEU N . 50468 1 215 . 1 . 1 65 65 SEP C C 13 171.32975 . . 1 . . . . . 65 SEP C . 50468 1 216 . 1 . 1 66 66 VAL H H 1 7.83968 . . 1 . . . . . 66 VAL H . 50468 1 217 . 1 . 1 66 66 VAL C C 13 172.69655 . . 1 . . . . . 66 VAL C . 50468 1 218 . 1 . 1 66 66 VAL CA C 13 58.51272 . . 1 . . . . . 66 VAL CA . 50468 1 219 . 1 . 1 66 66 VAL N N 15 120.49483 . . 1 . . . . . 66 VAL N . 50468 1 220 . 1 . 1 67 67 LEU H H 1 8.36081 . . 1 . . . . . 67 LEU H . 50468 1 221 . 1 . 1 67 67 LEU C C 13 171.91529 . . 1 . . . . . 67 LEU C . 50468 1 222 . 1 . 1 67 67 LEU CA C 13 52.08712 . . 1 . . . . . 67 LEU CA . 50468 1 223 . 1 . 1 67 67 LEU N N 15 126.47139 . . 1 . . . . . 67 LEU N . 50468 1 224 . 1 . 1 68 68 HIS H H 1 8.24640 . . 1 . . . . . 68 HIS H . 50468 1 225 . 1 . 1 68 68 HIS C C 13 171.72007 . . 1 . . . . . 68 HIS C . 50468 1 226 . 1 . 1 68 68 HIS CA C 13 53.04373 . . 1 . . . . . 68 HIS CA . 50468 1 227 . 1 . 1 68 68 HIS N N 15 123.57094 . . 1 . . . . . 68 HIS N . 50468 1 228 . 1 . 1 69 69 LEU H H 1 8.99636 . . 1 . . . . . 69 LEU H . 50468 1 229 . 1 . 1 69 69 LEU C C 13 173.47790 . . 1 . . . . . 69 LEU C . 50468 1 230 . 1 . 1 69 69 LEU CA C 13 50.30957 . . 1 . . . . . 69 LEU CA . 50468 1 231 . 1 . 1 69 69 LEU N N 15 121.72530 . . 1 . . . . . 69 LEU N . 50468 1 232 . 1 . 1 70 70 VAL H H 1 8.84383 . . 1 . . . . . 70 VAL H . 50468 1 233 . 1 . 1 70 70 VAL C C 13 171.13408 . . 1 . . . . . 70 VAL C . 50468 1 234 . 1 . 1 70 70 VAL CA C 13 59.05976 . . 1 . . . . . 70 VAL CA . 50468 1 235 . 1 . 1 70 70 VAL N N 15 122.86791 . . 1 . . . . . 70 VAL N . 50468 1 236 . 1 . 1 71 71 LEU H H 1 8.15744 . . 1 . . . . . 71 LEU H . 50468 1 237 . 1 . 1 71 71 LEU C C 13 171.32945 . . 1 . . . . . 71 LEU C . 50468 1 238 . 1 . 1 71 71 LEU CA C 13 50.99347 . . 1 . . . . . 71 LEU CA . 50468 1 239 . 1 . 1 71 71 LEU N N 15 127.26242 . . 1 . . . . . 71 LEU N . 50468 1 240 . 1 . 1 72 72 ALA H H 1 9.02176 . . 1 . . . . . 72 ALA H . 50468 1 241 . 1 . 1 72 72 ALA C C 13 172.30606 . . 1 . . . . . 72 ALA C . 50468 1 242 . 1 . 1 72 72 ALA CA C 13 47.43869 . . 1 . . . . . 72 ALA CA . 50468 1 243 . 1 . 1 72 72 ALA N N 15 129.63544 . . 1 . . . . . 72 ALA N . 50468 1 244 . 1 . 1 73 73 LEU H H 1 8.30998 . . 1 . . . . . 73 LEU H . 50468 1 245 . 1 . 1 73 73 LEU CA C 13 50.85673 . . 1 . . . . . 73 LEU CA . 50468 1 246 . 1 . 1 73 73 LEU N N 15 119.35236 . . 1 . . . . . 73 LEU N . 50468 1 stop_ save_