################################### # 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 50467 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone 1H, 13C and 15N Chemical Shift Assignments for Relaxed 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' . . . 50467 1 2 '2D 1H-15N TROSY-HSQC' . . . 50467 1 3 '3D TROSY-HNCA' . . . 50467 1 4 '3D TROSY-HNCO' . . . 50467 1 5 '3D TROSY-HN(CO)CACB' . . . 50467 1 6 '3D TROSY-HNCACB' . . . 50467 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 . . 50467 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 8.69129 . . 1 . . . . . 2 LEU H . 50467 1 2 . 1 . 1 2 2 LEU C C 13 174.06378 . . 1 . . . . . 2 LEU C . 50467 1 3 . 1 . 1 2 2 LEU CA C 13 52.22387 . . 1 . . . . . 2 LEU CA . 50467 1 4 . 1 . 1 2 2 LEU N N 15 127.87766 . . 1 . . . . . 2 LEU N . 50467 1 5 . 1 . 1 3 3 ILE H H 1 8.95822 . . 1 . . . . . 3 ILE H . 50467 1 6 . 1 . 1 3 3 ILE C C 13 170.93890 . . 1 . . . . . 3 ILE C . 50467 1 7 . 1 . 1 3 3 ILE CA C 13 56.59870 . . 1 . . . . . 3 ILE CA . 50467 1 8 . 1 . 1 3 3 ILE N N 15 120.58263 . . 1 . . . . . 3 ILE N . 50467 1 9 . 1 . 1 4 4 LYS H H 1 8.33539 . . 1 . . . . . 4 LYS H . 50467 1 10 . 1 . 1 4 4 LYS C C 13 172.30619 . . 1 . . . . . 4 LYS C . 50467 1 11 . 1 . 1 4 4 LYS CA C 13 51.54010 . . 1 . . . . . 4 LYS CA . 50467 1 12 . 1 . 1 4 4 LYS N N 15 119.52792 . . 1 . . . . . 4 LYS N . 50467 1 13 . 1 . 1 5 5 VAL H H 1 8.88197 . . 1 . . . . . 5 VAL H . 50467 1 14 . 1 . 1 5 5 VAL C C 13 172.11057 . . 1 . . . . . 5 VAL C . 50467 1 15 . 1 . 1 5 5 VAL CA C 13 57.69232 . . 1 . . . . . 5 VAL CA . 50467 1 16 . 1 . 1 5 5 VAL N N 15 121.63741 . . 1 . . . . . 5 VAL N . 50467 1 17 . 1 . 1 6 6 LYS H H 1 8.99635 . . 1 . . . . . 6 LYS H . 50467 1 18 . 1 . 1 6 6 LYS C C 13 174.06395 . . 1 . . . . . 6 LYS C . 50467 1 19 . 1 . 1 6 6 LYS CA C 13 52.08702 . . 1 . . . . . 6 LYS CA . 50467 1 20 . 1 . 1 6 6 LYS N N 15 128.14137 . . 1 . . . . . 6 LYS N . 50467 1 21 . 1 . 1 7 7 THR H H 1 8.74214 . . 1 . . . . . 7 THR H . 50467 1 22 . 1 . 1 7 7 THR C C 13 174.25904 . . 1 . . . . . 7 THR C . 50467 1 23 . 1 . 1 7 7 THR CA C 13 58.10278 . . 1 . . . . . 7 THR CA . 50467 1 24 . 1 . 1 7 7 THR N N 15 116.80342 . . 1 . . . . . 7 THR N . 50467 1 25 . 1 . 1 8 8 LEU H H 1 8.99636 . . 1 . . . . . 8 LEU H . 50467 1 26 . 1 . 1 8 8 LEU CA C 13 54.95810 . . 1 . . . . . 8 LEU CA . 50467 1 27 . 1 . 1 8 8 LEU N N 15 121.02219 . . 1 . . . . . 8 LEU N . 50467 1 28 . 1 . 1 9 9 THR C C 13 172.89192 . . 1 . . . . . 9 THR C . 50467 1 29 . 1 . 1 9 9 THR CA C 13 58.78620 . . 1 . . . . . 9 THR CA . 50467 1 30 . 1 . 1 10 10 GLY H H 1 7.83967 . . 1 . . . . . 10 GLY H . 50467 1 31 . 1 . 1 10 10 GLY C C 13 171.13404 . . 1 . . . . . 10 GLY C . 50467 1 32 . 1 . 1 10 10 GLY CA C 13 42.51654 . . 1 . . . . . 10 GLY CA . 50467 1 33 . 1 . 1 10 10 GLY N N 15 109.77220 . . 1 . . . . . 10 GLY N . 50467 1 34 . 1 . 1 11 11 LYS H H 1 7.12786 . . 1 . . . . . 11 LYS H . 50467 1 35 . 1 . 1 11 11 LYS C C 13 172.50054 . . 1 . . . . . 11 LYS C . 50467 1 36 . 1 . 1 11 11 LYS CA C 13 53.86425 . . 1 . . . . . 11 LYS CA . 50467 1 37 . 1 . 1 11 11 LYS N N 15 121.98885 . . 1 . . . . . 11 LYS N . 50467 1 38 . 1 . 1 12 12 GLU H H 1 8.53877 . . 1 . . . . . 12 GLU H . 50467 1 39 . 1 . 1 12 12 GLU C C 13 173.08747 . . 1 . . . . . 12 GLU C . 50467 1 40 . 1 . 1 12 12 GLU CA C 13 52.49705 . . 1 . . . . . 12 GLU CA . 50467 1 41 . 1 . 1 12 12 GLU N N 15 124.27414 . . 1 . . . . . 12 GLU N . 50467 1 42 . 1 . 1 13 13 ILE H H 1 9.13619 . . 1 . . . . . 13 ILE H . 50467 1 43 . 1 . 1 13 13 ILE C C 13 171.91543 . . 1 . . . . . 13 ILE C . 50467 1 44 . 1 . 1 13 13 ILE CA C 13 57.28211 . . 1 . . . . . 13 ILE CA . 50467 1 45 . 1 . 1 13 13 ILE N N 15 124.01044 . . 1 . . . . . 13 ILE N . 50467 1 46 . 1 . 1 14 14 GLU H H 1 8.55149 . . 1 . . . . . 14 GLU H . 50467 1 47 . 1 . 1 14 14 GLU C C 13 173.08730 . . 1 . . . . . 14 GLU C . 50467 1 48 . 1 . 1 14 14 GLU CA C 13 52.90714 . . 1 . . . . . 14 GLU CA . 50467 1 49 . 1 . 1 14 14 GLU N N 15 125.41665 . . 1 . . . . . 14 GLU N . 50467 1 50 . 1 . 1 15 15 ILE H H 1 8.61504 . . 1 . . . . . 15 ILE H . 50467 1 51 . 1 . 1 15 15 ILE C C 13 169.96217 . . 1 . . . . . 15 ILE C . 50467 1 52 . 1 . 1 15 15 ILE CA C 13 56.18850 . . 1 . . . . . 15 ILE CA . 50467 1 53 . 1 . 1 15 15 ILE N N 15 121.19791 . . 1 . . . . . 15 ILE N . 50467 1 54 . 1 . 1 16 16 ASP H H 1 8.23371 . . 1 . . . . . 16 ASP H . 50467 1 55 . 1 . 1 16 16 ASP C C 13 173.08726 . . 1 . . . . . 16 ASP C . 50467 1 56 . 1 . 1 16 16 ASP CA C 13 50.30959 . . 1 . . . . . 16 ASP CA . 50467 1 57 . 1 . 1 16 16 ASP N N 15 124.71357 . . 1 . . . . . 16 ASP N . 50467 1 58 . 1 . 1 17 17 ILE H H 1 8.66588 . . 1 . . . . . 17 ILE H . 50467 1 59 . 1 . 1 17 17 ILE C C 13 172.11067 . . 1 . . . . . 17 ILE C . 50467 1 60 . 1 . 1 17 17 ILE CA C 13 55.91517 . . 1 . . . . . 17 ILE CA . 50467 1 61 . 1 . 1 17 17 ILE N N 15 118.12170 . . 1 . . . . . 17 ILE N . 50467 1 62 . 1 . 1 18 18 GLU H H 1 8.56419 . . 1 . . . . . 18 GLU H . 50467 1 63 . 1 . 1 18 18 GLU CA C 13 50.17293 . . 1 . . . . . 18 GLU CA . 50467 1 64 . 1 . 1 18 18 GLU N N 15 121.11010 . . 1 . . . . . 18 GLU N . 50467 1 65 . 1 . 1 19 19 PRO C C 13 172.89194 . . 1 . . . . . 19 PRO C . 50467 1 66 . 1 . 1 19 19 PRO CA C 13 62.47780 . . 1 . . . . . 19 PRO CA . 50467 1 67 . 1 . 1 20 20 THR H H 1 6.67028 . . 1 . . . . . 20 THR H . 50467 1 68 . 1 . 1 20 20 THR C C 13 172.11054 . . 1 . . . . . 20 THR C . 50467 1 69 . 1 . 1 20 20 THR CA C 13 57.96582 . . 1 . . . . . 20 THR CA . 50467 1 70 . 1 . 1 20 20 THR N N 15 98.43426 . . 1 . . . . . 20 THR N . 50467 1 71 . 1 . 1 21 21 ASP C C 13 173.47806 . . 1 . . . . . 21 ASP C . 50467 1 72 . 1 . 1 21 21 ASP CA C 13 52.49717 . . 1 . . . . . 21 ASP CA . 50467 1 73 . 1 . 1 22 22 LYS H H 1 8.48792 . . 1 . . . . . 22 LYS H . 50467 1 74 . 1 . 1 22 22 LYS C C 13 176.01701 . . 1 . . . . . 22 LYS C . 50467 1 75 . 1 . 1 22 22 LYS CA C 13 53.18086 . . 1 . . . . . 22 LYS CA . 50467 1 76 . 1 . 1 22 22 LYS N N 15 119.35220 . . 1 . . . . . 22 LYS N . 50467 1 77 . 1 . 1 23 23 VAL H H 1 9.14889 . . 1 . . . . . 23 VAL H . 50467 1 78 . 1 . 1 23 23 VAL C C 13 175.62637 . . 1 . . . . . 23 VAL C . 50467 1 79 . 1 . 1 23 23 VAL CA C 13 64.25494 . . 1 . . . . . 23 VAL CA . 50467 1 80 . 1 . 1 23 23 VAL N N 15 125.50463 . . 1 . . . . . 23 VAL N . 50467 1 81 . 1 . 1 24 24 GLU H H 1 8.46250 . . 1 . . . . . 24 GLU H . 50467 1 82 . 1 . 1 24 24 GLU C C 13 175.04038 . . 1 . . . . . 24 GLU C . 50467 1 83 . 1 . 1 24 24 GLU CA C 13 57.00893 . . 1 . . . . . 24 GLU CA . 50467 1 84 . 1 . 1 24 24 GLU N N 15 117.94587 . . 1 . . . . . 24 GLU N . 50467 1 85 . 1 . 1 25 25 ARG H H 1 7.39480 . . 1 . . . . . 25 ARG H . 50467 1 86 . 1 . 1 25 25 ARG C C 13 176.21239 . . 1 . . . . . 25 ARG C . 50467 1 87 . 1 . 1 25 25 ARG CA C 13 54.82138 . . 1 . . . . . 25 ARG CA . 50467 1 88 . 1 . 1 25 25 ARG N N 15 119.17648 . . 1 . . . . . 25 ARG N . 50467 1 89 . 1 . 1 26 26 ILE H H 1 7.78883 . . 1 . . . . . 26 ILE H . 50467 1 90 . 1 . 1 26 26 ILE C C 13 175.43101 . . 1 . . . . . 26 ILE C . 50467 1 91 . 1 . 1 26 26 ILE CA C 13 63.98152 . . 1 . . . . . 26 ILE CA . 50467 1 92 . 1 . 1 26 26 ILE N N 15 120.49485 . . 1 . . . . . 26 ILE N . 50467 1 93 . 1 . 1 27 27 LYS H H 1 7.62359 . . 1 . . . . . 27 LYS H . 50467 1 94 . 1 . 1 27 27 LYS C C 13 177.77477 . . 1 . . . . . 27 LYS C . 50467 1 95 . 1 . 1 27 27 LYS CA C 13 56.46204 . . 1 . . . . . 27 LYS CA . 50467 1 96 . 1 . 1 27 27 LYS N N 15 116.62758 . . 1 . . . . . 27 LYS N . 50467 1 97 . 1 . 1 28 28 GLU H H 1 7.59818 . . 1 . . . . . 28 GLU H . 50467 1 98 . 1 . 1 28 28 GLU C C 13 176.79833 . . 1 . . . . . 28 GLU C . 50467 1 99 . 1 . 1 28 28 GLU CA C 13 57.00885 . . 1 . . . . . 28 GLU CA . 50467 1 100 . 1 . 1 28 28 GLU N N 15 120.75842 . . 1 . . . . . 28 GLU N . 50467 1 101 . 1 . 1 29 29 ARG H H 1 8.04304 . . 1 . . . . . 29 ARG H . 50467 1 102 . 1 . 1 29 29 ARG C C 13 177.18895 . . 1 . . . . . 29 ARG C . 50467 1 103 . 1 . 1 29 29 ARG CA C 13 55.77835 . . 1 . . . . . 29 ARG CA . 50467 1 104 . 1 . 1 29 29 ARG N N 15 120.23106 . . 1 . . . . . 29 ARG N . 50467 1 105 . 1 . 1 30 30 VAL H H 1 8.28455 . . 1 . . . . . 30 VAL H . 50467 1 106 . 1 . 1 30 30 VAL C C 13 175.43119 . . 1 . . . . . 30 VAL C . 50467 1 107 . 1 . 1 30 30 VAL CA C 13 64.39172 . . 1 . . . . . 30 VAL CA . 50467 1 108 . 1 . 1 30 30 VAL N N 15 121.28591 . . 1 . . . . . 30 VAL N . 50467 1 109 . 1 . 1 31 31 GLU H H 1 8.38624 . . 1 . . . . . 31 GLU H . 50467 1 110 . 1 . 1 31 31 GLU C C 13 176.40758 . . 1 . . . . . 31 GLU C . 50467 1 111 . 1 . 1 31 31 GLU CA C 13 57.55552 . . 1 . . . . . 31 GLU CA . 50467 1 112 . 1 . 1 31 31 GLU N N 15 123.04365 . . 1 . . . . . 31 GLU N . 50467 1 113 . 1 . 1 32 32 GLU H H 1 7.83967 . . 1 . . . . . 32 GLU H . 50467 1 114 . 1 . 1 32 32 GLU C C 13 175.23581 . . 1 . . . . . 32 GLU C . 50467 1 115 . 1 . 1 32 32 GLU CA C 13 56.59871 . . 1 . . . . . 32 GLU CA . 50467 1 116 . 1 . 1 32 32 GLU N N 15 119.17646 . . 1 . . . . . 32 GLU N . 50467 1 117 . 1 . 1 33 33 LYS H H 1 7.19143 . . 1 . . . . . 33 LYS H . 50467 1 118 . 1 . 1 33 33 LYS C C 13 175.04054 . . 1 . . . . . 33 LYS C . 50467 1 119 . 1 . 1 33 33 LYS CA C 13 55.09490 . . 1 . . . . . 33 LYS CA . 50467 1 120 . 1 . 1 33 33 LYS N N 15 114.95769 . . 1 . . . . . 33 LYS N . 50467 1 121 . 1 . 1 34 34 GLU H H 1 8.57691 . . 1 . . . . . 34 GLU H . 50467 1 122 . 1 . 1 34 34 GLU C C 13 175.23588 . . 1 . . . . . 34 GLU C . 50467 1 123 . 1 . 1 34 34 GLU CA C 13 52.77048 . . 1 . . . . . 34 GLU CA . 50467 1 124 . 1 . 1 34 34 GLU N N 15 115.22133 . . 1 . . . . . 34 GLU N . 50467 1 125 . 1 . 1 35 35 GLY H H 1 8.56419 . . 1 . . . . . 35 GLY H . 50467 1 126 . 1 . 1 35 35 GLY C C 13 170.93876 . . 1 . . . . . 35 GLY C . 50467 1 127 . 1 . 1 35 35 GLY CA C 13 43.33680 . . 1 . . . . . 35 GLY CA . 50467 1 128 . 1 . 1 35 35 GLY N N 15 108.89322 . . 1 . . . . . 35 GLY N . 50467 1 129 . 1 . 1 36 36 ILE H H 1 6.06015 . . 1 . . . . . 36 ILE H . 50467 1 130 . 1 . 1 36 36 ILE CA C 13 54.95807 . . 1 . . . . . 36 ILE CA . 50467 1 131 . 1 . 1 36 36 ILE N N 15 120.23119 . . 1 . . . . . 36 ILE N . 50467 1 132 . 1 . 1 38 38 PRO C C 13 175.82181 . . 1 . . . . . 38 PRO C . 50467 1 133 . 1 . 1 38 38 PRO CA C 13 63.43490 . . 1 . . . . . 38 PRO CA . 50467 1 134 . 1 . 1 39 39 GLN H H 1 8.80569 . . 1 . . . . . 39 GLN H . 50467 1 135 . 1 . 1 39 39 GLN C C 13 174.25927 . . 1 . . . . . 39 GLN C . 50467 1 136 . 1 . 1 39 39 GLN CA C 13 55.77842 . . 1 . . . . . 39 GLN CA . 50467 1 137 . 1 . 1 39 39 GLN N N 15 114.43040 . . 1 . . . . . 39 GLN N . 50467 1 138 . 1 . 1 40 40 GLN H H 1 7.83968 . . 1 . . . . . 40 GLN H . 50467 1 139 . 1 . 1 40 40 GLN C C 13 172.50105 . . 1 . . . . . 40 GLN C . 50467 1 140 . 1 . 1 40 40 GLN CA C 13 53.04388 . . 1 . . . . . 40 GLN CA . 50467 1 141 . 1 . 1 40 40 GLN N N 15 116.36404 . . 1 . . . . . 40 GLN N . 50467 1 142 . 1 . 1 41 41 GLN H H 1 7.52191 . . 1 . . . . . 41 GLN H . 50467 1 143 . 1 . 1 41 41 GLN C C 13 173.67330 . . 1 . . . . . 41 GLN C . 50467 1 144 . 1 . 1 41 41 GLN CA C 13 53.86438 . . 1 . . . . . 41 GLN CA . 50467 1 145 . 1 . 1 41 41 GLN N N 15 118.12177 . . 1 . . . . . 41 GLN N . 50467 1 146 . 1 . 1 42 42 ARG H H 1 8.53877 . . 1 . . . . . 42 ARG H . 50467 1 147 . 1 . 1 42 42 ARG C C 13 171.32964 . . 1 . . . . . 42 ARG C . 50467 1 148 . 1 . 1 42 42 ARG CA C 13 52.08667 . . 1 . . . . . 42 ARG CA . 50467 1 149 . 1 . 1 42 42 ARG N N 15 122.69207 . . 1 . . . . . 42 ARG N . 50467 1 150 . 1 . 1 43 43 LEU H H 1 8.32268 . . 1 . . . . . 43 LEU H . 50467 1 151 . 1 . 1 43 43 LEU C C 13 172.50096 . . 1 . . . . . 43 LEU C . 50467 1 152 . 1 . 1 43 43 LEU CA C 13 50.30995 . . 1 . . . . . 43 LEU CA . 50467 1 153 . 1 . 1 43 43 LEU N N 15 123.21927 . . 1 . . . . . 43 LEU N . 50467 1 154 . 1 . 1 44 44 ILE H H 1 9.23787 . . 1 . . . . . 44 ILE H . 50467 1 155 . 1 . 1 44 44 ILE C C 13 172.30605 . . 1 . . . . . 44 ILE C . 50467 1 156 . 1 . 1 44 44 ILE CA C 13 56.32522 . . 1 . . . . . 44 ILE CA . 50467 1 157 . 1 . 1 44 44 ILE N N 15 124.09834 . . 1 . . . . . 44 ILE N . 50467 1 158 . 1 . 1 45 45 TYR H H 1 8.69130 . . 1 . . . . . 45 TYR H . 50467 1 159 . 1 . 1 45 45 TYR CA C 13 53.86489 . . 1 . . . . . 45 TYR CA . 50467 1 160 . 1 . 1 45 45 TYR N N 15 125.50457 . . 1 . . . . . 45 TYR N . 50467 1 161 . 1 . 1 46 46 SER C C 13 172.69650 . . 1 . . . . . 46 SER C . 50467 1 162 . 1 . 1 47 47 GLY C C 13 170.93908 . . 1 . . . . . 47 GLY C . 50467 1 163 . 1 . 1 47 47 GLY CA C 13 42.51680 . . 1 . . . . . 47 GLY CA . 50467 1 164 . 1 . 1 48 48 LYS H H 1 7.75070 . . 1 . . . . . 48 LYS H . 50467 1 165 . 1 . 1 48 48 LYS CA C 13 51.67685 . . 1 . . . . . 48 LYS CA . 50467 1 166 . 1 . 1 48 48 LYS N N 15 121.11001 . . 1 . . . . . 48 LYS N . 50467 1 167 . 1 . 1 50 50 MET C C 13 175.82174 . . 1 . . . . . 50 MET C . 50467 1 168 . 1 . 1 50 50 MET CA C 13 53.86432 . . 1 . . . . . 50 MET CA . 50467 1 169 . 1 . 1 51 51 ASN H H 1 8.50064 . . 1 . . . . . 51 ASN H . 50467 1 170 . 1 . 1 51 51 ASN C C 13 172.89199 . . 1 . . . . . 51 ASN C . 50467 1 171 . 1 . 1 51 51 ASN CA C 13 50.44632 . . 1 . . . . . 51 ASN CA . 50467 1 172 . 1 . 1 51 51 ASN N N 15 122.86796 . . 1 . . . . . 51 ASN N . 50467 1 173 . 1 . 1 52 52 ASP H H 1 8.43708 . . 1 . . . . . 52 ASP H . 50467 1 174 . 1 . 1 52 52 ASP C C 13 173.67341 . . 1 . . . . . 52 ASP C . 50467 1 175 . 1 . 1 52 52 ASP CA C 13 55.09513 . . 1 . . . . . 52 ASP CA . 50467 1 176 . 1 . 1 52 52 ASP N N 15 123.65894 . . 1 . . . . . 52 ASP N . 50467 1 177 . 1 . 1 53 53 GLU H H 1 8.62774 . . 1 . . . . . 53 GLU H . 50467 1 178 . 1 . 1 53 53 GLU C C 13 174.64985 . . 1 . . . . . 53 GLU C . 50467 1 179 . 1 . 1 53 53 GLU CA C 13 54.00058 . . 1 . . . . . 53 GLU CA . 50467 1 180 . 1 . 1 53 53 GLU N N 15 114.07872 . . 1 . . . . . 53 GLU N . 50467 1 181 . 1 . 1 54 54 LYS H H 1 7.48376 . . 1 . . . . . 54 LYS H . 50467 1 182 . 1 . 1 54 54 LYS C C 13 172.50102 . . 1 . . . . . 54 LYS C . 50467 1 183 . 1 . 1 54 54 LYS CA C 13 52.36045 . . 1 . . . . . 54 LYS CA . 50467 1 184 . 1 . 1 54 54 LYS N N 15 120.40692 . . 1 . . . . . 54 LYS N . 50467 1 185 . 1 . 1 55 55 THR H H 1 9.07262 . . 1 . . . . . 55 THR H . 50467 1 186 . 1 . 1 55 55 THR C C 13 173.86835 . . 1 . . . . . 55 THR C . 50467 1 187 . 1 . 1 55 55 THR CA C 13 57.28236 . . 1 . . . . . 55 THR CA . 50467 1 188 . 1 . 1 55 55 THR N N 15 108.71741 . . 1 . . . . . 55 THR N . 50467 1 189 . 1 . 1 56 56 ALA H H 1 8.23370 . . 1 . . . . . 56 ALA H . 50467 1 190 . 1 . 1 56 56 ALA C C 13 177.38408 . . 1 . . . . . 56 ALA C . 50467 1 191 . 1 . 1 56 56 ALA CA C 13 53.04394 . . 1 . . . . . 56 ALA CA . 50467 1 192 . 1 . 1 56 56 ALA N N 15 121.28571 . . 1 . . . . . 56 ALA N . 50467 1 193 . 1 . 1 57 57 ALA H H 1 8.44979 . . 1 . . . . . 57 ALA H . 50467 1 194 . 1 . 1 57 57 ALA C C 13 178.94655 . . 1 . . . . . 57 ALA C . 50467 1 195 . 1 . 1 57 57 ALA CA C 13 51.95021 . . 1 . . . . . 57 ALA CA . 50467 1 196 . 1 . 1 57 57 ALA N N 15 119.70383 . . 1 . . . . . 57 ALA N . 50467 1 197 . 1 . 1 58 58 ASP H H 1 7.86509 . . 1 . . . . . 58 ASP H . 50467 1 198 . 1 . 1 58 58 ASP C C 13 174.84512 . . 1 . . . . . 58 ASP C . 50467 1 199 . 1 . 1 58 58 ASP CA C 13 54.82144 . . 1 . . . . . 58 ASP CA . 50467 1 200 . 1 . 1 58 58 ASP N N 15 120.31910 . . 1 . . . . . 58 ASP N . 50467 1 201 . 1 . 1 59 59 TYR H H 1 7.29311 . . 1 . . . . . 59 TYR H . 50467 1 202 . 1 . 1 59 59 TYR C C 13 171.13417 . . 1 . . . . . 59 TYR C . 50467 1 203 . 1 . 1 59 59 TYR CA C 13 56.73568 . . 1 . . . . . 59 TYR CA . 50467 1 204 . 1 . 1 59 59 TYR N N 15 116.01242 . . 1 . . . . . 59 TYR N . 50467 1 205 . 1 . 1 60 60 LYS H H 1 7.82696 . . 1 . . . . . 60 LYS H . 50467 1 206 . 1 . 1 60 60 LYS C C 13 172.50060 . . 1 . . . . . 60 LYS C . 50467 1 207 . 1 . 1 60 60 LYS CA C 13 54.27496 . . 1 . . . . . 60 LYS CA . 50467 1 208 . 1 . 1 60 60 LYS N N 15 115.57302 . . 1 . . . . . 60 LYS N . 50467 1 209 . 1 . 1 61 61 ILE H H 1 6.88636 . . 1 . . . . . 61 ILE H . 50467 1 210 . 1 . 1 61 61 ILE C C 13 172.50055 . . 1 . . . . . 61 ILE C . 50467 1 211 . 1 . 1 61 61 ILE CA C 13 59.74323 . . 1 . . . . . 61 ILE CA . 50467 1 212 . 1 . 1 61 61 ILE N N 15 116.62761 . . 1 . . . . . 61 ILE N . 50467 1 213 . 1 . 1 62 62 LEU H H 1 7.62358 . . 1 . . . . . 62 LEU H . 50467 1 214 . 1 . 1 62 62 LEU C C 13 174.45449 . . 1 . . . . . 62 LEU C . 50467 1 215 . 1 . 1 62 62 LEU CA C 13 51.12992 . . 1 . . . . . 62 LEU CA . 50467 1 216 . 1 . 1 62 62 LEU N N 15 126.29571 . . 1 . . . . . 62 LEU N . 50467 1 217 . 1 . 1 63 63 GLY H H 1 8.20829 . . 1 . . . . . 63 GLY H . 50467 1 218 . 1 . 1 63 63 GLY C C 13 172.89209 . . 1 . . . . . 63 GLY C . 50467 1 219 . 1 . 1 63 63 GLY CA C 13 43.74711 . . 1 . . . . . 63 GLY CA . 50467 1 220 . 1 . 1 63 63 GLY N N 15 106.52020 . . 1 . . . . . 63 GLY N . 50467 1 221 . 1 . 1 64 64 GLY H H 1 8.99638 . . 1 . . . . . 64 GLY H . 50467 1 222 . 1 . 1 64 64 GLY C C 13 171.32956 . . 1 . . . . . 64 GLY C . 50467 1 223 . 1 . 1 64 64 GLY CA C 13 42.51666 . . 1 . . . . . 64 GLY CA . 50467 1 224 . 1 . 1 64 64 GLY N N 15 112.32097 . . 1 . . . . . 64 GLY N . 50467 1 225 . 1 . 1 65 65 SEP H H 1 8.01762 . . 1 . . . . . 65 SEP H . 50467 1 226 . 1 . 1 65 65 SEP C C 13 169.37636 . . 1 . . . . . 65 SEP C . 50467 1 227 . 1 . 1 65 65 SEP CA C 13 55.23153 . . 1 . . . . . 65 SEP CA . 50467 1 228 . 1 . 1 65 65 SEP N N 15 116.62786 . . 1 . . . . . 65 SEP N . 50467 1 229 . 1 . 1 66 66 VAL H H 1 8.32268 . . 1 . . . . . 66 VAL H . 50467 1 230 . 1 . 1 66 66 VAL C C 13 172.50019 . . 1 . . . . . 66 VAL C . 50467 1 231 . 1 . 1 66 66 VAL CA C 13 58.51286 . . 1 . . . . . 66 VAL CA . 50467 1 232 . 1 . 1 66 66 VAL N N 15 119.79182 . . 1 . . . . . 66 VAL N . 50467 1 233 . 1 . 1 67 67 LEU H H 1 8.85654 . . 1 . . . . . 67 LEU H . 50467 1 234 . 1 . 1 67 67 LEU C C 13 172.89185 . . 1 . . . . . 67 LEU C . 50467 1 235 . 1 . 1 67 67 LEU CA C 13 50.99322 . . 1 . . . . . 67 LEU CA . 50467 1 236 . 1 . 1 67 67 LEU N N 15 125.59245 . . 1 . . . . . 67 LEU N . 50467 1 237 . 1 . 1 68 68 HIS H H 1 9.04720 . . 1 . . . . . 68 HIS H . 50467 1 238 . 1 . 1 68 68 HIS C C 13 171.32957 . . 1 . . . . . 68 HIS C . 50467 1 239 . 1 . 1 68 68 HIS CA C 13 53.59106 . . 1 . . . . . 68 HIS CA . 50467 1 240 . 1 . 1 68 68 HIS N N 15 120.40706 . . 1 . . . . . 68 HIS N . 50467 1 241 . 1 . 1 69 69 LEU H H 1 8.18287 . . 1 . . . . . 69 LEU H . 50467 1 242 . 1 . 1 69 69 LEU CA C 13 51.13004 . . 1 . . . . . 69 LEU CA . 50467 1 243 . 1 . 1 69 69 LEU N N 15 124.01054 . . 1 . . . . . 69 LEU N . 50467 1 244 . 1 . 1 70 70 VAL H H 1 9.03448 . . 1 . . . . . 70 VAL H . 50467 1 245 . 1 . 1 70 70 VAL C C 13 171.32937 . . 1 . . . . . 70 VAL C . 50467 1 246 . 1 . 1 70 70 VAL N N 15 126.20785 . . 1 . . . . . 70 VAL N . 50467 1 247 . 1 . 1 71 71 LEU H H 1 8.09390 . . 1 . . . . . 71 LEU H . 50467 1 248 . 1 . 1 71 71 LEU C C 13 174.84495 . . 1 . . . . . 71 LEU C . 50467 1 249 . 1 . 1 71 71 LEU CA C 13 51.40321 . . 1 . . . . . 71 LEU CA . 50467 1 250 . 1 . 1 71 71 LEU N N 15 123.21947 . . 1 . . . . . 71 LEU N . 50467 1 251 . 1 . 1 72 72 ALA H H 1 8.48794 . . 1 . . . . . 72 ALA H . 50467 1 252 . 1 . 1 72 72 ALA C C 13 173.86855 . . 1 . . . . . 72 ALA C . 50467 1 253 . 1 . 1 72 72 ALA CA C 13 48.94248 . . 1 . . . . . 72 ALA CA . 50467 1 254 . 1 . 1 72 72 ALA N N 15 126.64728 . . 1 . . . . . 72 ALA N . 50467 1 255 . 1 . 1 73 73 LEU H H 1 8.13202 . . 1 . . . . . 73 LEU H . 50467 1 256 . 1 . 1 73 73 LEU CA C 13 52.22392 . . 1 . . . . . 73 LEU CA . 50467 1 257 . 1 . 1 73 73 LEU N N 15 121.81322 . . 1 . . . . . 73 LEU N . 50467 1 stop_ save_