################################### # 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 36600 _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_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' 1 $sample_1 isotropic 36600 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36600 1 3 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36600 1 4 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36600 1 5 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36600 1 6 '3D HNCA' 1 $sample_1 isotropic 36600 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 36600 1 8 '3D HCCH-COSY' 1 $sample_1 isotropic 36600 1 9 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36600 1 10 '3D HN(COCA)CB' 1 $sample_1 isotropic 36600 1 11 '3D HNCO' 1 $sample_1 isotropic 36600 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 1 1 THR H1 H 1 8.810 0.020 . 1 . . . . A 1 THR H1 . 36600 1 2 . 1 . 1 1 1 THR C C 13 173.443 0.3 . 1 . . . . A 1 THR C . 36600 1 3 . 1 . 1 1 1 THR CA C 13 61.016 0.3 . 1 . . . . A 1 THR CA . 36600 1 4 . 1 . 1 1 1 THR CB C 13 70.460 0.3 . 1 . . . . A 1 THR CB . 36600 1 5 . 1 . 1 1 1 THR N N 15 115.026 0.3 . 1 . . . . A 1 THR N . 36600 1 6 . 1 . 1 2 2 ASP H H 1 9.167 0.020 . 1 . . . . A 2 ASP H . 36600 1 7 . 1 . 1 2 2 ASP C C 13 176.364 0.3 . 1 . . . . A 2 ASP C . 36600 1 8 . 1 . 1 2 2 ASP CA C 13 57.873 0.3 . 1 . . . . A 2 ASP CA . 36600 1 9 . 1 . 1 2 2 ASP CB C 13 39.297 0.3 . 1 . . . . A 2 ASP CB . 36600 1 10 . 1 . 1 2 2 ASP N N 15 122.443 0.3 . 1 . . . . A 2 ASP N . 36600 1 11 . 1 . 1 3 3 GLU H H 1 8.678 0.020 . 1 . . . . A 3 GLU H . 36600 1 12 . 1 . 1 3 3 GLU C C 13 177.931 0.3 . 1 . . . . A 3 GLU C . 36600 1 13 . 1 . 1 3 3 GLU CA C 13 60.424 0.3 . 1 . . . . A 3 GLU CA . 36600 1 14 . 1 . 1 3 3 GLU CB C 13 29.043 0.3 . 1 . . . . A 3 GLU CB . 36600 1 15 . 1 . 1 3 3 GLU N N 15 117.714 0.3 . 1 . . . . A 3 GLU N . 36600 1 16 . 1 . 1 4 4 GLN H H 1 7.763 0.020 . 1 . . . . A 4 GLN H . 36600 1 17 . 1 . 1 4 4 GLN C C 13 177.588 0.3 . 1 . . . . A 4 GLN C . 36600 1 18 . 1 . 1 4 4 GLN CA C 13 58.487 0.3 . 1 . . . . A 4 GLN CA . 36600 1 19 . 1 . 1 4 4 GLN CB C 13 28.564 0.3 . 1 . . . . A 4 GLN CB . 36600 1 20 . 1 . 1 4 4 GLN N N 15 119.298 0.3 . 1 . . . . A 4 GLN N . 36600 1 21 . 1 . 1 5 5 ILE H H 1 8.122 0.020 . 1 . . . . A 5 ILE H . 36600 1 22 . 1 . 1 5 5 ILE C C 13 176.844 0.3 . 1 . . . . A 5 ILE C . 36600 1 23 . 1 . 1 5 5 ILE CA C 13 65.866 0.3 . 1 . . . . A 5 ILE CA . 36600 1 24 . 1 . 1 5 5 ILE CB C 13 37.693 0.3 . 1 . . . . A 5 ILE CB . 36600 1 25 . 1 . 1 5 5 ILE N N 15 122.912 0.3 . 1 . . . . A 5 ILE N . 36600 1 26 . 1 . 1 6 6 TYR H H 1 8.646 0.020 . 1 . . . . A 6 TYR H . 36600 1 27 . 1 . 1 6 6 TYR C C 13 176.183 0.3 . 1 . . . . A 6 TYR C . 36600 1 28 . 1 . 1 6 6 TYR CA C 13 63.125 0.3 . 1 . . . . A 6 TYR CA . 36600 1 29 . 1 . 1 6 6 TYR CB C 13 37.008 0.3 . 1 . . . . A 6 TYR CB . 36600 1 30 . 1 . 1 6 6 TYR N N 15 118.138 0.3 . 1 . . . . A 6 TYR N . 36600 1 31 . 1 . 1 7 7 ALA H H 1 8.181 0.020 . 1 . . . . A 7 ALA H . 36600 1 32 . 1 . 1 7 7 ALA C C 13 179.060 0.3 . 1 . . . . A 7 ALA C . 36600 1 33 . 1 . 1 7 7 ALA CA C 13 55.451 0.3 . 1 . . . . A 7 ALA CA . 36600 1 34 . 1 . 1 7 7 ALA CB C 13 17.679 0.3 . 1 . . . . A 7 ALA CB . 36600 1 35 . 1 . 1 7 7 ALA N N 15 120.236 0.3 . 1 . . . . A 7 ALA N . 36600 1 36 . 1 . 1 8 8 PHE H H 1 7.901 0.020 . 1 . . . . A 8 PHE H . 36600 1 37 . 1 . 1 8 8 PHE C C 13 177.721 0.3 . 1 . . . . A 8 PHE C . 36600 1 38 . 1 . 1 8 8 PHE CA C 13 61.591 0.3 . 1 . . . . A 8 PHE CA . 36600 1 39 . 1 . 1 8 8 PHE CB C 13 39.056 0.3 . 1 . . . . A 8 PHE CB . 36600 1 40 . 1 . 1 8 8 PHE N N 15 117.185 0.3 . 1 . . . . A 8 PHE N . 36600 1 41 . 1 . 1 9 9 CYS H H 1 7.214 0.020 . 1 . . . . A 9 CYS H . 36600 1 42 . 1 . 1 9 9 CYS C C 13 174.727 0.3 . 1 . . . . A 9 CYS C . 36600 1 43 . 1 . 1 9 9 CYS CA C 13 57.141 0.3 . 1 . . . . A 9 CYS CA . 36600 1 44 . 1 . 1 9 9 CYS CB C 13 32.510 0.3 . 1 . . . . A 9 CYS CB . 36600 1 45 . 1 . 1 9 9 CYS N N 15 120.258 0.3 . 1 . . . . A 9 CYS N . 36600 1 46 . 1 . 1 10 10 ASP H H 1 9.155 0.020 . 1 . . . . A 10 ASP H . 36600 1 47 . 1 . 1 10 10 ASP C C 13 176.232 0.3 . 1 . . . . A 10 ASP C . 36600 1 48 . 1 . 1 10 10 ASP CA C 13 57.510 0.3 . 1 . . . . A 10 ASP CA . 36600 1 49 . 1 . 1 10 10 ASP CB C 13 40.133 0.3 . 1 . . . . A 10 ASP CB . 36600 1 50 . 1 . 1 10 10 ASP N N 15 120.012 0.3 . 1 . . . . A 10 ASP N . 36600 1 51 . 1 . 1 11 11 ALA H H 1 6.770 0.020 . 1 . . . . A 11 ALA H . 36600 1 52 . 1 . 1 11 11 ALA C C 13 174.965 0.3 . 1 . . . . A 11 ALA C . 36600 1 53 . 1 . 1 11 11 ALA CA C 13 51.625 0.3 . 1 . . . . A 11 ALA CA . 36600 1 54 . 1 . 1 11 11 ALA CB C 13 19.540 0.3 . 1 . . . . A 11 ALA CB . 36600 1 55 . 1 . 1 11 11 ALA N N 15 117.757 0.3 . 1 . . . . A 11 ALA N . 36600 1 56 . 1 . 1 12 12 ASN H H 1 7.363 0.020 . 1 . . . . A 12 ASN H . 36600 1 57 . 1 . 1 12 12 ASN C C 13 172.494 0.3 . 1 . . . . A 12 ASN C . 36600 1 58 . 1 . 1 12 12 ASN CA C 13 51.985 0.3 . 1 . . . . A 12 ASN CA . 36600 1 59 . 1 . 1 12 12 ASN CB C 13 39.605 0.3 . 1 . . . . A 12 ASN CB . 36600 1 60 . 1 . 1 12 12 ASN N N 15 120.553 0.3 . 1 . . . . A 12 ASN N . 36600 1 61 . 1 . 1 13 13 LYS H H 1 7.853 0.020 . 1 . . . . A 13 LYS H . 36600 1 62 . 1 . 1 13 13 LYS C C 13 175.648 0.3 . 1 . . . . A 13 LYS C . 36600 1 63 . 1 . 1 13 13 LYS CA C 13 59.976 0.3 . 1 . . . . A 13 LYS CA . 36600 1 64 . 1 . 1 13 13 LYS CB C 13 32.522 0.3 . 1 . . . . A 13 LYS CB . 36600 1 65 . 1 . 1 13 13 LYS N N 15 118.109 0.3 . 1 . . . . A 13 LYS N . 36600 1 66 . 1 . 1 14 14 ASP H H 1 8.169 0.020 . 1 . . . . A 14 ASP H . 36600 1 67 . 1 . 1 14 14 ASP C C 13 174.242 0.3 . 1 . . . . A 14 ASP C . 36600 1 68 . 1 . 1 14 14 ASP CA C 13 53.580 0.3 . 1 . . . . A 14 ASP CA . 36600 1 69 . 1 . 1 14 14 ASP CB C 13 40.997 0.3 . 1 . . . . A 14 ASP CB . 36600 1 70 . 1 . 1 14 14 ASP N N 15 112.589 0.3 . 1 . . . . A 14 ASP N . 36600 1 71 . 1 . 1 15 15 ASP H H 1 7.654 0.020 . 1 . . . . A 15 ASP H . 36600 1 72 . 1 . 1 15 15 ASP C C 13 176.596 0.3 . 1 . . . . A 15 ASP C . 36600 1 73 . 1 . 1 15 15 ASP CA C 13 54.324 0.3 . 1 . . . . A 15 ASP CA . 36600 1 74 . 1 . 1 15 15 ASP CB C 13 43.305 0.3 . 1 . . . . A 15 ASP CB . 36600 1 75 . 1 . 1 15 15 ASP N N 15 123.497 0.3 . 1 . . . . A 15 ASP N . 36600 1 76 . 1 . 1 16 16 ILE H H 1 9.034 0.020 . 1 . . . . A 16 ILE H . 36600 1 77 . 1 . 1 16 16 ILE C C 13 175.109 0.3 . 1 . . . . A 16 ILE C . 36600 1 78 . 1 . 1 16 16 ILE CA C 13 62.583 0.3 . 1 . . . . A 16 ILE CA . 36600 1 79 . 1 . 1 16 16 ILE CB C 13 38.144 0.3 . 1 . . . . A 16 ILE CB . 36600 1 80 . 1 . 1 16 16 ILE N N 15 130.320 0.3 . 1 . . . . A 16 ILE N . 36600 1 81 . 1 . 1 17 17 ARG H H 1 9.382 0.020 . 1 . . . . A 17 ARG H . 36600 1 82 . 1 . 1 17 17 ARG C C 13 172.097 0.3 . 1 . . . . A 17 ARG C . 36600 1 83 . 1 . 1 17 17 ARG CA C 13 58.304 0.3 . 1 . . . . A 17 ARG CA . 36600 1 84 . 1 . 1 17 17 ARG CB C 13 30.208 0.3 . 1 . . . . A 17 ARG CB . 36600 1 85 . 1 . 1 17 17 ARG N N 15 121.345 0.3 . 1 . . . . A 17 ARG N . 36600 1 86 . 1 . 1 18 18 CYS H H 1 8.669 0.020 . 1 . . . . A 18 CYS H . 36600 1 87 . 1 . 1 18 18 CYS C C 13 173.635 0.3 . 1 . . . . A 18 CYS C . 36600 1 88 . 1 . 1 18 18 CYS CA C 13 58.605 0.3 . 1 . . . . A 18 CYS CA . 36600 1 89 . 1 . 1 18 18 CYS CB C 13 33.487 0.3 . 1 . . . . A 18 CYS CB . 36600 1 90 . 1 . 1 18 18 CYS N N 15 114.564 0.3 . 1 . . . . A 18 CYS N . 36600 1 91 . 1 . 1 19 19 LYS H H 1 8.011 0.020 . 1 . . . . A 19 LYS H . 36600 1 92 . 1 . 1 19 19 LYS C C 13 172.842 0.3 . 1 . . . . A 19 LYS C . 36600 1 93 . 1 . 1 19 19 LYS CA C 13 57.610 0.3 . 1 . . . . A 19 LYS CA . 36600 1 94 . 1 . 1 19 19 LYS CB C 13 32.521 0.3 . 1 . . . . A 19 LYS CB . 36600 1 95 . 1 . 1 19 19 LYS N N 15 126.710 0.3 . 1 . . . . A 19 LYS N . 36600 1 96 . 1 . 1 20 20 CYS H H 1 8.486 0.020 . 1 . . . . A 20 CYS H . 36600 1 97 . 1 . 1 20 20 CYS C C 13 173.857 0.3 . 1 . . . . A 20 CYS C . 36600 1 98 . 1 . 1 20 20 CYS CA C 13 58.862 0.3 . 1 . . . . A 20 CYS CA . 36600 1 99 . 1 . 1 20 20 CYS CB C 13 33.165 0.3 . 1 . . . . A 20 CYS CB . 36600 1 100 . 1 . 1 20 20 CYS N N 15 118.427 0.3 . 1 . . . . A 20 CYS N . 36600 1 101 . 1 . 1 21 21 ILE H H 1 7.525 0.020 . 1 . . . . A 21 ILE H . 36600 1 102 . 1 . 1 21 21 ILE C C 13 177.588 0.3 . 1 . . . . A 21 ILE C . 36600 1 103 . 1 . 1 21 21 ILE CA C 13 60.653 0.3 . 1 . . . . A 21 ILE CA . 36600 1 104 . 1 . 1 21 21 ILE CB C 13 37.666 0.3 . 1 . . . . A 21 ILE CB . 36600 1 105 . 1 . 1 21 21 ILE N N 15 121.102 0.3 . 1 . . . . A 21 ILE N . 36600 1 106 . 1 . 1 22 22 TYR H H 1 9.274 0.020 . 1 . . . . A 22 TYR H . 36600 1 107 . 1 . 1 22 22 TYR C C 13 175.339 0.3 . 1 . . . . A 22 TYR C . 36600 1 108 . 1 . 1 22 22 TYR CA C 13 58.068 0.3 . 1 . . . . A 22 TYR CA . 36600 1 109 . 1 . 1 22 22 TYR CB C 13 38.961 0.3 . 1 . . . . A 22 TYR CB . 36600 1 110 . 1 . 1 22 22 TYR N N 15 117.463 0.3 . 1 . . . . A 22 TYR N . 36600 1 111 . 1 . 1 24 24 ASP H H 1 7.873 0.020 . 1 . . . . A 24 ASP H . 36600 1 112 . 1 . 1 24 24 ASP C C 13 175.008 0.3 . 1 . . . . A 24 ASP C . 36600 1 113 . 1 . 1 24 24 ASP CA C 13 55.754 0.3 . 1 . . . . A 24 ASP CA . 36600 1 114 . 1 . 1 24 24 ASP CB C 13 42.737 0.3 . 1 . . . . A 24 ASP CB . 36600 1 115 . 1 . 1 24 24 ASP N N 15 111.335 0.3 . 1 . . . . A 24 ASP N . 36600 1 116 . 1 . 1 25 25 LYS H H 1 8.606 0.020 . 1 . . . . A 25 LYS H . 36600 1 117 . 1 . 1 25 25 LYS C C 13 177.059 0.3 . 1 . . . . A 25 LYS C . 36600 1 118 . 1 . 1 25 25 LYS CA C 13 56.254 0.3 . 1 . . . . A 25 LYS CA . 36600 1 119 . 1 . 1 25 25 LYS CB C 13 32.582 0.3 . 1 . . . . A 25 LYS CB . 36600 1 120 . 1 . 1 25 25 LYS N N 15 123.691 0.3 . 1 . . . . A 25 LYS N . 36600 1 121 . 1 . 1 26 26 SER H H 1 9.151 0.020 . 1 . . . . A 26 SER H . 36600 1 122 . 1 . 1 26 26 SER C C 13 177.796 0.3 . 1 . . . . A 26 SER C . 36600 1 123 . 1 . 1 26 26 SER CA C 13 60.700 0.3 . 1 . . . . A 26 SER CA . 36600 1 124 . 1 . 1 26 26 SER CB C 13 62.650 0.3 . 1 . . . . A 26 SER CB . 36600 1 125 . 1 . 1 26 26 SER N N 15 119.709 0.3 . 1 . . . . A 26 SER N . 36600 1 126 . 1 . 1 28 28 VAL H H 1 7.377 0.020 . 1 . . . . A 28 VAL H . 36600 1 127 . 1 . 1 28 28 VAL C C 13 174.314 0.3 . 1 . . . . A 28 VAL C . 36600 1 128 . 1 . 1 28 28 VAL CA C 13 62.459 0.3 . 1 . . . . A 28 VAL CA . 36600 1 129 . 1 . 1 28 28 VAL CB C 13 31.324 0.3 . 1 . . . . A 28 VAL CB . 36600 1 130 . 1 . 1 28 28 VAL N N 15 115.417 0.3 . 1 . . . . A 28 VAL N . 36600 1 131 . 1 . 1 29 29 ARG H H 1 7.794 0.020 . 1 . . . . A 29 ARG H . 36600 1 132 . 1 . 1 29 29 ARG C C 13 174.661 0.3 . 1 . . . . A 29 ARG C . 36600 1 133 . 1 . 1 29 29 ARG CA C 13 57.363 0.3 . 1 . . . . A 29 ARG CA . 36600 1 134 . 1 . 1 29 29 ARG CB C 13 31.099 0.3 . 1 . . . . A 29 ARG CB . 36600 1 135 . 1 . 1 29 29 ARG N N 15 129.810 0.3 . 1 . . . . A 29 ARG N . 36600 1 136 . 1 . 1 30 30 ILE H H 1 8.121 0.020 . 1 . . . . A 30 ILE H . 36600 1 137 . 1 . 1 30 30 ILE C C 13 172.031 0.3 . 1 . . . . A 30 ILE C . 36600 1 138 . 1 . 1 30 30 ILE CA C 13 61.653 0.3 . 1 . . . . A 30 ILE CA . 36600 1 139 . 1 . 1 30 30 ILE CB C 13 39.015 0.3 . 1 . . . . A 30 ILE CB . 36600 1 140 . 1 . 1 30 30 ILE N N 15 116.432 0.3 . 1 . . . . A 30 ILE N . 36600 1 141 . 1 . 1 31 31 GLY H H 1 7.944 0.020 . 1 . . . . A 31 GLY H . 36600 1 142 . 1 . 1 31 31 GLY C C 13 173.735 0.3 . 1 . . . . A 31 GLY C . 36600 1 143 . 1 . 1 31 31 GLY CA C 13 43.882 0.3 . 1 . . . . A 31 GLY CA . 36600 1 144 . 1 . 1 31 31 GLY N N 15 108.826 0.3 . 1 . . . . A 31 GLY N . 36600 1 145 . 1 . 1 32 32 ILE H H 1 9.343 0.020 . 1 . . . . A 32 ILE H . 36600 1 146 . 1 . 1 32 32 ILE C C 13 175.604 0.3 . 1 . . . . A 32 ILE C . 36600 1 147 . 1 . 1 32 32 ILE CA C 13 61.761 0.3 . 1 . . . . A 32 ILE CA . 36600 1 148 . 1 . 1 32 32 ILE CB C 13 37.874 0.3 . 1 . . . . A 32 ILE CB . 36600 1 149 . 1 . 1 32 32 ILE N N 15 109.217 0.3 . 1 . . . . A 32 ILE N . 36600 1 150 . 1 . 1 33 33 ASP H H 1 7.176 0.020 . 1 . . . . A 33 ASP H . 36600 1 151 . 1 . 1 33 33 ASP C C 13 173.404 0.3 . 1 . . . . A 33 ASP C . 36600 1 152 . 1 . 1 33 33 ASP CA C 13 54.500 0.3 . 1 . . . . A 33 ASP CA . 36600 1 153 . 1 . 1 33 33 ASP CB C 13 41.946 0.3 . 1 . . . . A 33 ASP CB . 36600 1 154 . 1 . 1 33 33 ASP N N 15 117.423 0.3 . 1 . . . . A 33 ASP N . 36600 1 155 . 1 . 1 34 34 THR H H 1 8.196 0.020 . 1 . . . . A 34 THR H . 36600 1 156 . 1 . 1 34 34 THR C C 13 172.097 0.3 . 1 . . . . A 34 THR C . 36600 1 157 . 1 . 1 34 34 THR CA C 13 62.025 0.3 . 1 . . . . A 34 THR CA . 36600 1 158 . 1 . 1 34 34 THR CB C 13 68.910 0.3 . 1 . . . . A 34 THR CB . 36600 1 159 . 1 . 1 34 34 THR N N 15 115.722 0.3 . 1 . . . . A 34 THR N . 36600 1 160 . 1 . 1 35 35 ARG H H 1 8.391 0.020 . 1 . . . . A 35 ARG H . 36600 1 161 . 1 . 1 35 35 ARG C C 13 175.190 0.3 . 1 . . . . A 35 ARG C . 36600 1 162 . 1 . 1 35 35 ARG CA C 13 56.009 0.3 . 1 . . . . A 35 ARG CA . 36600 1 163 . 1 . 1 35 35 ARG CB C 13 30.642 0.3 . 1 . . . . A 35 ARG CB . 36600 1 164 . 1 . 1 35 35 ARG N N 15 124.205 0.3 . 1 . . . . A 35 ARG N . 36600 1 165 . 1 . 1 36 36 LEU H H 1 7.962 0.020 . 1 . . . . A 36 LEU H . 36600 1 166 . 1 . 1 36 36 LEU C C 13 175.438 0.3 . 1 . . . . A 36 LEU C . 36600 1 167 . 1 . 1 36 36 LEU CA C 13 57.399 0.3 . 1 . . . . A 36 LEU CA . 36600 1 168 . 1 . 1 36 36 LEU CB C 13 38.782 0.3 . 1 . . . . A 36 LEU CB . 36600 1 169 . 1 . 1 36 36 LEU N N 15 126.607 0.3 . 1 . . . . A 36 LEU N . 36600 1 170 . 1 . 1 38 38 TYR H H 1 7.680 0.020 . 1 . . . . A 38 TYR H . 36600 1 171 . 1 . 1 38 38 TYR C C 13 178.548 0.3 . 1 . . . . A 38 TYR C . 36600 1 172 . 1 . 1 38 38 TYR CA C 13 57.374 0.3 . 1 . . . . A 38 TYR CA . 36600 1 173 . 1 . 1 38 38 TYR CB C 13 38.659 0.3 . 1 . . . . A 38 TYR CB . 36600 1 174 . 1 . 1 38 38 TYR N N 15 117.320 0.3 . 1 . . . . A 38 TYR N . 36600 1 175 . 1 . 1 39 39 TYR H H 1 9.275 0.020 . 1 . . . . A 39 TYR H . 36600 1 176 . 1 . 1 39 39 TYR C C 13 177.820 0.3 . 1 . . . . A 39 TYR C . 36600 1 177 . 1 . 1 39 39 TYR CA C 13 61.993 0.3 . 1 . . . . A 39 TYR CA . 36600 1 178 . 1 . 1 39 39 TYR CB C 13 38.608 0.3 . 1 . . . . A 39 TYR CB . 36600 1 179 . 1 . 1 39 39 TYR N N 15 130.800 0.3 . 1 . . . . A 39 TYR N . 36600 1 180 . 1 . 1 40 40 CYS H H 1 7.448 0.020 . 1 . . . . A 40 CYS H . 36600 1 181 . 1 . 1 40 40 CYS C C 13 172.825 0.3 . 1 . . . . A 40 CYS C . 36600 1 182 . 1 . 1 40 40 CYS CA C 13 64.433 0.3 . 1 . . . . A 40 CYS CA . 36600 1 183 . 1 . 1 40 40 CYS CB C 13 39.015 0.3 . 1 . . . . A 40 CYS CB . 36600 1 184 . 1 . 1 40 40 CYS N N 15 117.131 0.3 . 1 . . . . A 40 CYS N . 36600 1 185 . 1 . 1 41 41 TRP H H 1 7.917 0.020 . 1 . . . . A 41 TRP H . 36600 1 186 . 1 . 1 41 41 TRP C C 13 175.377 0.3 . 1 . . . . A 41 TRP C . 36600 1 187 . 1 . 1 41 41 TRP CA C 13 55.388 0.3 . 1 . . . . A 41 TRP CA . 36600 1 188 . 1 . 1 41 41 TRP CB C 13 31.652 0.3 . 1 . . . . A 41 TRP CB . 36600 1 189 . 1 . 1 41 41 TRP N N 15 117.284 0.3 . 1 . . . . A 41 TRP N . 36600 1 190 . 1 . 1 42 42 TYR H H 1 7.765 0.020 . 1 . . . . A 42 TYR H . 36600 1 191 . 1 . 1 42 42 TYR C C 13 173.602 0.3 . 1 . . . . A 42 TYR C . 36600 1 192 . 1 . 1 42 42 TYR CA C 13 58.496 0.3 . 1 . . . . A 42 TYR CA . 36600 1 193 . 1 . 1 42 42 TYR CB C 13 40.091 0.3 . 1 . . . . A 42 TYR CB . 36600 1 194 . 1 . 1 42 42 TYR N N 15 117.946 0.3 . 1 . . . . A 42 TYR N . 36600 1 195 . 1 . 1 43 43 GLU H H 1 8.223 0.020 . 1 . . . . A 43 GLU H . 36600 1 196 . 1 . 1 43 43 GLU C C 13 179.424 0.3 . 1 . . . . A 43 GLU C . 36600 1 197 . 1 . 1 43 43 GLU CA C 13 58.001 0.3 . 1 . . . . A 43 GLU CA . 36600 1 198 . 1 . 1 43 43 GLU CB C 13 30.704 0.3 . 1 . . . . A 43 GLU CB . 36600 1 199 . 1 . 1 43 43 GLU N N 15 127.485 0.3 . 1 . . . . A 43 GLU N . 36600 1 200 . 1 . 1 45 45 CYS H H 1 8.176 0.020 . 1 . . . . A 45 CYS H . 36600 1 201 . 1 . 1 45 45 CYS C C 13 173.470 0.3 . 1 . . . . A 45 CYS C . 36600 1 202 . 1 . 1 45 45 CYS CA C 13 58.428 0.3 . 1 . . . . A 45 CYS CA . 36600 1 203 . 1 . 1 45 45 CYS CB C 13 33.011 0.3 . 1 . . . . A 45 CYS CB . 36600 1 204 . 1 . 1 45 45 CYS N N 15 117.738 0.3 . 1 . . . . A 45 CYS N . 36600 1 205 . 1 . 1 46 46 LYS H H 1 7.035 0.020 . 1 . . . . A 46 LYS H . 36600 1 206 . 1 . 1 46 46 LYS C C 13 173.371 0.3 . 1 . . . . A 46 LYS C . 36600 1 207 . 1 . 1 46 46 LYS CA C 13 55.765 0.3 . 1 . . . . A 46 LYS CA . 36600 1 208 . 1 . 1 46 46 LYS CB C 13 31.580 0.3 . 1 . . . . A 46 LYS CB . 36600 1 209 . 1 . 1 46 46 LYS N N 15 115.038 0.3 . 1 . . . . A 46 LYS N . 36600 1 210 . 1 . 1 47 47 ARG H H 1 8.399 0.020 . 1 . . . . A 47 ARG H . 36600 1 211 . 1 . 1 47 47 ARG C C 13 175.091 0.3 . 1 . . . . A 47 ARG C . 36600 1 212 . 1 . 1 47 47 ARG CA C 13 52.660 0.3 . 1 . . . . A 47 ARG CA . 36600 1 213 . 1 . 1 47 47 ARG CB C 13 31.634 0.3 . 1 . . . . A 47 ARG CB . 36600 1 214 . 1 . 1 47 47 ARG N N 15 124.462 0.3 . 1 . . . . A 47 ARG N . 36600 1 215 . 1 . 1 48 48 SER H H 1 8.488 0.020 . 1 . . . . A 48 SER H . 36600 1 216 . 1 . 1 48 48 SER C C 13 171.634 0.3 . 1 . . . . A 48 SER C . 36600 1 217 . 1 . 1 48 48 SER CA C 13 59.658 0.3 . 1 . . . . A 48 SER CA . 36600 1 218 . 1 . 1 48 48 SER CB C 13 62.956 0.3 . 1 . . . . A 48 SER CB . 36600 1 219 . 1 . 1 48 48 SER N N 15 113.862 0.3 . 1 . . . . A 48 SER N . 36600 1 220 . 1 . 1 49 49 ASP H H 1 7.941 0.020 . 1 . . . . A 49 ASP H . 36600 1 221 . 1 . 1 49 49 ASP C C 13 174.981 0.3 . 1 . . . . A 49 ASP C . 36600 1 222 . 1 . 1 49 49 ASP CA C 13 51.772 0.3 . 1 . . . . A 49 ASP CA . 36600 1 223 . 1 . 1 49 49 ASP CB C 13 39.783 0.3 . 1 . . . . A 49 ASP CB . 36600 1 224 . 1 . 1 49 49 ASP N N 15 118.083 0.3 . 1 . . . . A 49 ASP N . 36600 1 225 . 1 . 1 50 50 ALA H H 1 7.005 0.020 . 1 . . . . A 50 ALA H . 36600 1 226 . 1 . 1 50 50 ALA C C 13 175.703 0.3 . 1 . . . . A 50 ALA C . 36600 1 227 . 1 . 1 50 50 ALA CA C 13 53.359 0.3 . 1 . . . . A 50 ALA CA . 36600 1 228 . 1 . 1 50 50 ALA CB C 13 18.708 0.3 . 1 . . . . A 50 ALA CB . 36600 1 229 . 1 . 1 50 50 ALA N N 15 120.449 0.3 . 1 . . . . A 50 ALA N . 36600 1 230 . 1 . 1 51 51 LEU H H 1 8.820 0.020 . 1 . . . . A 51 LEU H . 36600 1 231 . 1 . 1 51 51 LEU C C 13 173.172 0.3 . 1 . . . . A 51 LEU C . 36600 1 232 . 1 . 1 51 51 LEU CA C 13 53.465 0.3 . 1 . . . . A 51 LEU CA . 36600 1 233 . 1 . 1 51 51 LEU CB C 13 40.995 0.3 . 1 . . . . A 51 LEU CB . 36600 1 234 . 1 . 1 51 51 LEU N N 15 125.057 0.3 . 1 . . . . A 51 LEU N . 36600 1 235 . 1 . 1 52 52 LEU H H 1 7.925 0.020 . 1 . . . . A 52 LEU H . 36600 1 236 . 1 . 1 52 52 LEU C C 13 177.555 0.3 . 1 . . . . A 52 LEU C . 36600 1 237 . 1 . 1 52 52 LEU CA C 13 49.731 0.3 . 1 . . . . A 52 LEU CA . 36600 1 238 . 1 . 1 52 52 LEU CB C 13 44.835 0.3 . 1 . . . . A 52 LEU CB . 36600 1 239 . 1 . 1 52 52 LEU N N 15 121.991 0.3 . 1 . . . . A 52 LEU N . 36600 1 240 . 1 . 1 54 54 ALA H H 1 9.919 0.020 . 1 . . . . A 54 ALA H . 36600 1 241 . 1 . 1 54 54 ALA C C 13 179.623 0.3 . 1 . . . . A 54 ALA C . 36600 1 242 . 1 . 1 54 54 ALA CA C 13 56.438 0.3 . 1 . . . . A 54 ALA CA . 36600 1 243 . 1 . 1 54 54 ALA CB C 13 18.221 0.3 . 1 . . . . A 54 ALA CB . 36600 1 244 . 1 . 1 54 54 ALA N N 15 126.781 0.3 . 1 . . . . A 54 ALA N . 36600 1 245 . 1 . 1 55 55 SER H H 1 9.352 0.020 . 1 . . . . A 55 SER H . 36600 1 246 . 1 . 1 55 55 SER C C 13 174.049 0.3 . 1 . . . . A 55 SER C . 36600 1 247 . 1 . 1 55 55 SER CA C 13 60.227 0.3 . 1 . . . . A 55 SER CA . 36600 1 248 . 1 . 1 55 55 SER CB C 13 61.653 0.3 . 1 . . . . A 55 SER CB . 36600 1 249 . 1 . 1 55 55 SER N N 15 112.938 0.3 . 1 . . . . A 55 SER N . 36600 1 250 . 1 . 1 56 56 LEU H H 1 6.810 0.020 . 1 . . . . A 56 LEU H . 36600 1 251 . 1 . 1 56 56 LEU C C 13 175.967 0.3 . 1 . . . . A 56 LEU C . 36600 1 252 . 1 . 1 56 56 LEU CA C 13 56.810 0.3 . 1 . . . . A 56 LEU CA . 36600 1 253 . 1 . 1 56 56 LEU CB C 13 42.118 0.3 . 1 . . . . A 56 LEU CB . 36600 1 254 . 1 . 1 56 56 LEU N N 15 124.830 0.3 . 1 . . . . A 56 LEU N . 36600 1 255 . 1 . 1 57 57 LYS H H 1 8.133 0.020 . 1 . . . . A 57 LYS H . 36600 1 256 . 1 . 1 57 57 LYS C C 13 177.919 0.3 . 1 . . . . A 57 LYS C . 36600 1 257 . 1 . 1 57 57 LYS CA C 13 60.085 0.3 . 1 . . . . A 57 LYS CA . 36600 1 258 . 1 . 1 57 57 LYS CB C 13 32.084 0.3 . 1 . . . . A 57 LYS CB . 36600 1 259 . 1 . 1 57 57 LYS N N 15 118.313 0.3 . 1 . . . . A 57 LYS N . 36600 1 260 . 1 . 1 58 58 LYS H H 1 7.875 0.020 . 1 . . . . A 58 LYS H . 36600 1 261 . 1 . 1 58 58 LYS C C 13 177.473 0.3 . 1 . . . . A 58 LYS C . 36600 1 262 . 1 . 1 58 58 LYS CA C 13 59.296 0.3 . 1 . . . . A 58 LYS CA . 36600 1 263 . 1 . 1 58 58 LYS CB C 13 31.847 0.3 . 1 . . . . A 58 LYS CB . 36600 1 264 . 1 . 1 58 58 LYS N N 15 117.619 0.3 . 1 . . . . A 58 LYS N . 36600 1 265 . 1 . 1 59 59 ASN H H 1 7.707 0.020 . 1 . . . . A 59 ASN H . 36600 1 266 . 1 . 1 59 59 ASN C C 13 176.274 0.3 . 1 . . . . A 59 ASN C . 36600 1 267 . 1 . 1 59 59 ASN CA C 13 55.521 0.3 . 1 . . . . A 59 ASN CA . 36600 1 268 . 1 . 1 59 59 ASN CB C 13 35.874 0.3 . 1 . . . . A 59 ASN CB . 36600 1 269 . 1 . 1 59 59 ASN N N 15 120.022 0.3 . 1 . . . . A 59 ASN N . 36600 1 270 . 1 . 1 60 60 ILE H H 1 8.182 0.020 . 1 . . . . A 60 ILE H . 36600 1 271 . 1 . 1 60 60 ILE C C 13 178.256 0.3 . 1 . . . . A 60 ILE C . 36600 1 272 . 1 . 1 60 60 ILE CA C 13 64.890 0.3 . 1 . . . . A 60 ILE CA . 36600 1 273 . 1 . 1 60 60 ILE CB C 13 38.356 0.3 . 1 . . . . A 60 ILE CB . 36600 1 274 . 1 . 1 60 60 ILE N N 15 122.287 0.3 . 1 . . . . A 60 ILE N . 36600 1 275 . 1 . 1 61 61 THR H H 1 7.723 0.020 . 1 . . . . A 61 THR H . 36600 1 276 . 1 . 1 61 61 THR C C 13 173.751 0.3 . 1 . . . . A 61 THR C . 36600 1 277 . 1 . 1 61 61 THR CA C 13 65.116 0.3 . 1 . . . . A 61 THR CA . 36600 1 278 . 1 . 1 61 61 THR CB C 13 69.105 0.3 . 1 . . . . A 61 THR CB . 36600 1 279 . 1 . 1 61 61 THR N N 15 113.693 0.3 . 1 . . . . A 61 THR N . 36600 1 280 . 1 . 1 62 62 LYS H H 1 7.367 0.020 . 1 . . . . A 62 LYS H . 36600 1 281 . 1 . 1 62 62 LYS C C 13 176.133 0.3 . 1 . . . . A 62 LYS C . 36600 1 282 . 1 . 1 62 62 LYS CA C 13 56.183 0.3 . 1 . . . . A 62 LYS CA . 36600 1 283 . 1 . 1 62 62 LYS CB C 13 31.619 0.3 . 1 . . . . A 62 LYS CB . 36600 1 284 . 1 . 1 62 62 LYS N N 15 119.134 0.3 . 1 . . . . A 62 LYS N . 36600 1 285 . 1 . 1 63 63 CYS H H 1 6.671 0.020 . 1 . . . . A 63 CYS H . 36600 1 286 . 1 . 1 63 63 CYS C C 13 174.810 0.3 . 1 . . . . A 63 CYS C . 36600 1 287 . 1 . 1 63 63 CYS CA C 13 58.686 0.3 . 1 . . . . A 63 CYS CA . 36600 1 288 . 1 . 1 63 63 CYS CB C 13 32.653 0.3 . 1 . . . . A 63 CYS CB . 36600 1 289 . 1 . 1 63 63 CYS N N 15 118.188 0.3 . 1 . . . . A 63 CYS N . 36600 1 290 . 1 . 1 64 64 ASN H H 1 8.124 0.020 . 1 . . . . A 64 ASN H . 36600 1 291 . 1 . 1 64 64 ASN C C 13 172.688 0.3 . 1 . . . . A 64 ASN C . 36600 1 292 . 1 . 1 64 64 ASN CA C 13 53.218 0.3 . 1 . . . . A 64 ASN CA . 36600 1 293 . 1 . 1 64 64 ASN CB C 13 38.589 0.3 . 1 . . . . A 64 ASN CB . 36600 1 294 . 1 . 1 64 64 ASN N N 15 123.113 0.3 . 1 . . . . A 64 ASN N . 36600 1 295 . 1 . 1 65 65 VAL H H 1 7.984 0.020 . 1 . . . . A 65 VAL H . 36600 1 296 . 1 . 1 65 65 VAL C C 13 174.271 0.3 . 1 . . . . A 65 VAL C . 36600 1 297 . 1 . 1 65 65 VAL CA C 13 62.056 0.3 . 1 . . . . A 65 VAL CA . 36600 1 298 . 1 . 1 65 65 VAL CB C 13 32.499 0.3 . 1 . . . . A 65 VAL CB . 36600 1 299 . 1 . 1 65 65 VAL N N 15 119.479 0.3 . 1 . . . . A 65 VAL N . 36600 1 300 . 1 . 1 66 66 SER H H 1 7.978 0.020 . 1 . . . . A 66 SER H . 36600 1 301 . 1 . 1 66 66 SER C C 13 174.280 0.3 . 1 . . . . A 66 SER C . 36600 1 302 . 1 . 1 66 66 SER CA C 13 59.756 0.3 . 1 . . . . A 66 SER CA . 36600 1 303 . 1 . 1 66 66 SER CB C 13 64.752 0.3 . 1 . . . . A 66 SER CB . 36600 1 304 . 1 . 1 66 66 SER N N 15 124.780 0.3 . 1 . . . . A 66 SER N . 36600 1 stop_ save_