################################### # 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 52602 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone NMR assignments of BACH1 BTB domain' _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 2 '2D 1H-15N TROSY' . . . 52602 1 3 '3D HNCA' . . . 52602 1 4 '2D 1H-15N HSQC' . . . 52602 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 . . 52602 1 2 $software_2 . . 52602 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 SER H H 1 8.578382744 . . . . . . . . 7 SER H . 52602 1 2 . 1 . 1 3 3 SER CA C 13 59.44670007 . . . . . . . . 7 SER CA . 52602 1 3 . 1 . 1 3 3 SER CB C 13 63.32519394 . . . . . . . . 7 SER CB . 52602 1 4 . 1 . 1 3 3 SER N N 15 118.2511369 . . . . . . . . 7 SER N . 52602 1 5 . 1 . 1 4 4 VAL H H 1 7.773720847 . . . . . . . . 8 VAL H . 52602 1 6 . 1 . 1 4 4 VAL CA C 13 60.13222974 0.006610355258 . . . . . . . 8 VAL CA . 52602 1 7 . 1 . 1 4 4 VAL CB C 13 34.02686873 . . . . . . . . 8 VAL CB . 52602 1 8 . 1 . 1 4 4 VAL N N 15 118.6044898 . . . . . . . . 8 VAL N . 52602 1 9 . 1 . 1 5 5 PHE H H 1 9.013597033 . . . . . . . . 9 PHE H . 52602 1 10 . 1 . 1 5 5 PHE CA C 13 56.75569167 . . . . . . . . 9 PHE CA . 52602 1 11 . 1 . 1 5 5 PHE N N 15 125.1382203 . . . . . . . . 9 PHE N . 52602 1 12 . 1 . 1 6 6 ALA H H 1 7.936674892 . . . . . . . . 10 ALA H . 52602 1 13 . 1 . 1 6 6 ALA CA C 13 49.59568119 . . . . . . . . 10 ALA CA . 52602 1 14 . 1 . 1 6 6 ALA N N 15 128.2422495 . . . . . . . . 10 ALA N . 52602 1 15 . 1 . 1 7 7 TYR H H 1 8.698373684 . . . . . . . . 11 TYR H . 52602 1 16 . 1 . 1 7 7 TYR CA C 13 56.47812545 . . . . . . . . 11 TYR CA . 52602 1 17 . 1 . 1 7 7 TYR CB C 13 39.43026423 . . . . . . . . 11 TYR CB . 52602 1 18 . 1 . 1 7 7 TYR N N 15 125.2655535 . . . . . . . . 11 TYR N . 52602 1 19 . 1 . 1 8 8 GLU H H 1 7.764792487 . . . . . . . . 12 GLU H . 52602 1 20 . 1 . 1 8 8 GLU CA C 13 53.39508688 0.00355629903 . . . . . . . 12 GLU CA . 52602 1 21 . 1 . 1 8 8 GLU CB C 13 31.26541242 . . . . . . . . 12 GLU CB . 52602 1 22 . 1 . 1 8 8 GLU N N 15 127.3602781 . . . . . . . . 12 GLU N . 52602 1 23 . 1 . 1 9 9 SER H H 1 8.039399854 . . . . . . . . 13 SER H . 52602 1 24 . 1 . 1 9 9 SER CA C 13 55.34958661 . . . . . . . . 13 SER CA . 52602 1 25 . 1 . 1 9 9 SER CB C 13 63.34807411 0.000000674 . . . . . . . 13 SER CB . 52602 1 26 . 1 . 1 9 9 SER N N 15 115.6410321 . . . . . . . . 13 SER N . 52602 1 27 . 1 . 1 11 11 VAL H H 1 7.263612347 . . . . . . . . 15 VAL H . 52602 1 28 . 1 . 1 11 11 VAL CA C 13 60.93182206 . . . . . . . . 15 VAL CA . 52602 1 29 . 1 . 1 11 11 VAL CB C 13 31.37038051 . . . . . . . . 15 VAL CB . 52602 1 30 . 1 . 1 11 11 VAL N N 15 112.2909993 . . . . . . . . 15 VAL N . 52602 1 31 . 1 . 1 12 12 HIS H H 1 7.264495443 . . . . . . . . 16 HIS H . 52602 1 32 . 1 . 1 12 12 HIS CA C 13 60.82116937 0.0018454065 . . . . . . . 16 HIS CA . 52602 1 33 . 1 . 1 12 12 HIS N N 15 122.0157151 . . . . . . . . 16 HIS N . 52602 1 34 . 1 . 1 13 13 SER H H 1 9.314636247 . . . . . . . . 17 SER H . 52602 1 35 . 1 . 1 13 13 SER CA C 13 62.06221372 0.01093661413 . . . . . . . 17 SER CA . 52602 1 36 . 1 . 1 13 13 SER CB C 13 61.17881125 . . . . . . . . 17 SER CB . 52602 1 37 . 1 . 1 13 13 SER N N 15 113.5161377 . . . . . . . . 17 SER N . 52602 1 38 . 1 . 1 14 14 THR H H 1 7.679404891 . . . . . . . . 18 THR H . 52602 1 39 . 1 . 1 14 14 THR CA C 13 66.50413957 0.000005722 . . . . . . . 18 THR CA . 52602 1 40 . 1 . 1 14 14 THR CB C 13 68.28962193 0 . . . . . . . 18 THR CB . 52602 1 41 . 1 . 1 14 14 THR N N 15 120.5782866 . . . . . . . . 18 THR N . 52602 1 42 . 1 . 1 15 15 ASN H H 1 8.124822388 . . . . . . . . 19 ASN H . 52602 1 43 . 1 . 1 15 15 ASN CA C 13 55.36172549 0.02973975521 . . . . . . . 19 ASN CA . 52602 1 44 . 1 . 1 15 15 ASN CB C 13 36.15699667 . . . . . . . . 19 ASN CB . 52602 1 45 . 1 . 1 15 15 ASN N N 15 122.0157151 . . . . . . . . 19 ASN N . 52602 1 46 . 1 . 1 16 16 VAL H H 1 8.686170465 . . . . . . . . 20 VAL H . 52602 1 47 . 1 . 1 16 16 VAL CA C 13 67.09404861 0.0042293212 . . . . . . . 20 VAL CA . 52602 1 48 . 1 . 1 16 16 VAL N N 15 123.3281498 . . . . . . . . 20 VAL N . 52602 1 49 . 1 . 1 17 17 LEU H H 1 7.508559824 . . . . . . . . 21 LEU H . 52602 1 50 . 1 . 1 17 17 LEU CA C 13 58.34957771 0.0008189877739 . . . . . . . 21 LEU CA . 52602 1 51 . 1 . 1 17 17 LEU CB C 13 40.4713612 . . . . . . . . 21 LEU CB . 52602 1 52 . 1 . 1 17 17 LEU N N 15 121.3282493 . . . . . . . . 21 LEU N . 52602 1 53 . 1 . 1 18 18 LEU H H 1 8.36278516 . . . . . . . . 22 LEU H . 52602 1 54 . 1 . 1 18 18 LEU CA C 13 57.31571406 0.01626721955 . . . . . . . 22 LEU CA . 52602 1 55 . 1 . 1 18 18 LEU CB C 13 40.15749839 . . . . . . . . 22 LEU CB . 52602 1 56 . 1 . 1 18 18 LEU N N 15 116.3909948 . . . . . . . . 22 LEU N . 52602 1 57 . 1 . 1 19 19 SER H H 1 7.935811806 . . . . . . . . 23 SER H . 52602 1 58 . 1 . 1 19 19 SER CA C 13 62.05286175 0.007487533651 . . . . . . . 23 SER CA . 52602 1 59 . 1 . 1 19 19 SER N N 15 118.6569762 . . . . . . . . 23 SER N . 52602 1 60 . 1 . 1 20 20 LEU H H 1 8.576341493 . . . . . . . . 24 LEU H . 52602 1 61 . 1 . 1 20 20 LEU CA C 13 58.14318332 0.02975761891 . . . . . . . 24 LEU CA . 52602 1 62 . 1 . 1 20 20 LEU CB C 13 39.32437219 . . . . . . . . 24 LEU CB . 52602 1 63 . 1 . 1 20 20 LEU N N 15 124.2031063 . . . . . . . . 24 LEU N . 52602 1 64 . 1 . 1 21 21 ASN H H 1 9.088876695 . . . . . . . . 25 ASN H . 52602 1 65 . 1 . 1 21 21 ASN CA C 13 56.06077706 0.02018531457 . . . . . . . 25 ASN CA . 52602 1 66 . 1 . 1 21 21 ASN CB C 13 37.78861933 . . . . . . . . 25 ASN CB . 52602 1 67 . 1 . 1 21 21 ASN N N 15 118.7033798 . . . . . . . . 25 ASN N . 52602 1 68 . 1 . 1 22 22 ASP H H 1 7.923469273 . . . . . . . . 26 ASP H . 52602 1 69 . 1 . 1 22 22 ASP CA C 13 57.74034671 0.004345106437 . . . . . . . 26 ASP CA . 52602 1 70 . 1 . 1 22 22 ASP CB C 13 40.64220932 . . . . . . . . 26 ASP CB . 52602 1 71 . 1 . 1 22 22 ASP N N 15 120.328299 . . . . . . . . 26 ASP N . 52602 1 72 . 1 . 1 23 23 GLN H H 1 7.884833226 . . . . . . . . 27 GLN H . 52602 1 73 . 1 . 1 23 23 GLN CA C 13 58.93268641 0.001545284965 . . . . . . . 27 GLN CA . 52602 1 74 . 1 . 1 23 23 GLN N N 15 118.6292489 . . . . . . . . 27 GLN N . 52602 1 75 . 1 . 1 24 24 ARG H H 1 7.984828612 . . . . . . . . 28 ARG H . 52602 1 76 . 1 . 1 24 24 ARG CA C 13 59.05379226 0.01126637494 . . . . . . . 28 ARG CA . 52602 1 77 . 1 . 1 24 24 ARG CB C 13 29.14943656 . . . . . . . . 28 ARG CB . 52602 1 78 . 1 . 1 24 24 ARG N N 15 118.8367086 . . . . . . . . 28 ARG N . 52602 1 79 . 1 . 1 25 25 LYS H H 1 8.358911104 . . . . . . . . 29 LYS H . 52602 1 80 . 1 . 1 25 25 LYS CA C 13 59.03356742 0.01077394227 . . . . . . . 29 LYS CA . 52602 1 81 . 1 . 1 25 25 LYS N N 15 118.3800513 . . . . . . . . 29 LYS N . 52602 1 82 . 1 . 1 26 26 LYS H H 1 7.612287186 . . . . . . . . 30 LYS H . 52602 1 83 . 1 . 1 26 26 LYS CA C 13 56.04019859 0.006906157853 . . . . . . . 30 LYS CA . 52602 1 84 . 1 . 1 26 26 LYS N N 15 117.1409575 . . . . . . . . 30 LYS N . 52602 1 85 . 1 . 1 27 27 ASP H H 1 7.919829792 . . . . . . . . 31 ASP H . 52602 1 86 . 1 . 1 27 27 ASP CA C 13 54.08011871 0.008152941707 . . . . . . . 31 ASP CA . 52602 1 87 . 1 . 1 27 27 ASP CB C 13 38.51777983 . . . . . . . . 31 ASP CB . 52602 1 88 . 1 . 1 27 27 ASP N N 15 121.4826947 . . . . . . . . 31 ASP N . 52602 1 89 . 1 . 1 28 28 VAL H H 1 8.301769064 . . . . . . . . 32 VAL H . 52602 1 90 . 1 . 1 28 28 VAL CA C 13 60.71853575 0.006358156001 . . . . . . . 32 VAL CA . 52602 1 91 . 1 . 1 28 28 VAL CB C 13 33.68662474 . . . . . . . . 32 VAL CB . 52602 1 92 . 1 . 1 28 28 VAL N N 15 118.9533674 . . . . . . . . 32 VAL N . 52602 1 93 . 1 . 1 29 29 LEU H H 1 8.35668355 . . . . . . . . 33 LEU H . 52602 1 94 . 1 . 1 29 29 LEU CA C 13 55.53062459 0.02310223411 . . . . . . . 33 LEU CA . 52602 1 95 . 1 . 1 29 29 LEU CB C 13 37.74396265 0.02703457114 . . . . . . . 33 LEU CB . 52602 1 96 . 1 . 1 29 29 LEU N N 15 113.8911191 . . . . . . . . 33 LEU N . 52602 1 97 . 1 . 1 30 30 CYS H H 1 7.777030644 . . . . . . . . 34 CYS H . 52602 1 98 . 1 . 1 30 30 CYS CA C 13 60.58923895 0.004985928215 . . . . . . . 34 CYS CA . 52602 1 99 . 1 . 1 30 30 CYS CB C 13 27.54322855 0.01151550557 . . . . . . . 34 CYS CB . 52602 1 100 . 1 . 1 30 30 CYS N N 15 115.4535414 . . . . . . . . 34 CYS N . 52602 1 101 . 1 . 1 31 31 ASP H H 1 8.063806292 . . . . . . . . 35 ASP H . 52602 1 102 . 1 . 1 31 31 ASP CA C 13 54.26010057 0.0001369859461 . . . . . . . 35 ASP CA . 52602 1 103 . 1 . 1 31 31 ASP CB C 13 41.64973597 . . . . . . . . 35 ASP CB . 52602 1 104 . 1 . 1 31 31 ASP N N 15 114.7660756 . . . . . . . . 35 ASP N . 52602 1 105 . 1 . 1 32 32 VAL H H 1 7.767067553 . . . . . . . . 36 VAL H . 52602 1 106 . 1 . 1 32 32 VAL CA C 13 59.40683273 0.003033138337 . . . . . . . 36 VAL CA . 52602 1 107 . 1 . 1 32 32 VAL N N 15 118.6118158 . . . . . . . . 36 VAL N . 52602 1 108 . 1 . 1 33 33 THR H H 1 8.130923997 . . . . . . . . 37 THR H . 52602 1 109 . 1 . 1 33 33 THR CA C 13 61.32410602 0.0008193869053 . . . . . . . 37 THR CA . 52602 1 110 . 1 . 1 33 33 THR CB C 13 68.50747622 0 . . . . . . . 37 THR CB . 52602 1 111 . 1 . 1 33 33 THR N N 15 123.203156 . . . . . . . . 37 THR N . 52602 1 112 . 1 . 1 34 34 ILE H H 1 9.265823371 . . . . . . . . 38 ILE H . 52602 1 113 . 1 . 1 34 34 ILE CA C 13 57.8622924 0.00606828217 . . . . . . . 38 ILE CA . 52602 1 114 . 1 . 1 34 34 ILE N N 15 127.3279509 . . . . . . . . 38 ILE N . 52602 1 115 . 1 . 1 35 35 PHE H H 1 9.14379118 . . . . . . . . 39 PHE H . 52602 1 116 . 1 . 1 35 35 PHE CA C 13 56.43390989 0.000338763186 . . . . . . . 39 PHE CA . 52602 1 117 . 1 . 1 35 35 PHE N N 15 125.6405348 . . . . . . . . 39 PHE N . 52602 1 118 . 1 . 1 36 36 VAL H H 1 8.741363214 . . . . . . . . 40 VAL H . 52602 1 119 . 1 . 1 36 36 VAL CA C 13 60.58429584 0.0004672420232 . . . . . . . 40 VAL CA . 52602 1 120 . 1 . 1 36 36 VAL N N 15 123.8008013 . . . . . . . . 40 VAL N . 52602 1 121 . 1 . 1 37 37 GLU H H 1 9.063811526 . . . . . . . . 41 GLU H . 52602 1 122 . 1 . 1 37 37 GLU CA C 13 57.31424251 0.006903771323 . . . . . . . 41 GLU CA . 52602 1 123 . 1 . 1 37 37 GLU CB C 13 28.4909444 . . . . . . . . 41 GLU CB . 52602 1 124 . 1 . 1 37 37 GLU N N 15 125.4667063 . . . . . . . . 41 GLU N . 52602 1 125 . 1 . 1 38 38 GLY H H 1 8.655662417 . . . . . . . . 42 GLY H . 52602 1 126 . 1 . 1 38 38 GLY CA C 13 45.02584955 0.02110407129 . . . . . . . 42 GLY CA . 52602 1 127 . 1 . 1 38 38 GLY N N 15 104.7040759 . . . . . . . . 42 GLY N . 52602 1 128 . 1 . 1 39 39 GLN H H 1 8.539731836 . . . . . . . . 43 GLN H . 52602 1 129 . 1 . 1 39 39 GLN CA C 13 54.48244651 0 . . . . . . . 43 GLN CA . 52602 1 130 . 1 . 1 39 39 GLN CB C 13 28.69476859 0.06290690601 . . . . . . . 43 GLN CB . 52602 1 131 . 1 . 1 39 39 GLN N N 15 122.5781871 . . . . . . . . 43 GLN N . 52602 1 132 . 1 . 1 40 40 ARG H H 1 8.048934247 . . . . . . . . 44 ARG H . 52602 1 133 . 1 . 1 40 40 ARG CA C 13 55.09289484 0.01744138076 . . . . . . . 44 ARG CA . 52602 1 134 . 1 . 1 40 40 ARG CB C 13 31.60159474 . . . . . . . . 44 ARG CB . 52602 1 135 . 1 . 1 40 40 ARG N N 15 121.3823159 . . . . . . . . 44 ARG N . 52602 1 136 . 1 . 1 41 41 PHE H H 1 9.192604057 . . . . . . . . 45 PHE H . 52602 1 137 . 1 . 1 41 41 PHE CA C 13 56.87191687 0.01744257287 . . . . . . . 45 PHE CA . 52602 1 138 . 1 . 1 41 41 PHE CB C 13 40.65737624 . . . . . . . . 45 PHE CB . 52602 1 139 . 1 . 1 41 41 PHE N N 15 122.9531685 . . . . . . . . 45 PHE N . 52602 1 140 . 1 . 1 42 42 ARG H H 1 8.35058194 . . . . . . . . 46 ARG H . 52602 1 141 . 1 . 1 42 42 ARG CA C 13 52.7791311 0.005937512994 . . . . . . . 46 ARG CA . 52602 1 142 . 1 . 1 42 42 ARG CB C 13 29.59044709 . . . . . . . . 46 ARG CB . 52602 1 143 . 1 . 1 42 42 ARG N N 15 122.5781871 . . . . . . . . 46 ARG N . 52602 1 144 . 1 . 1 43 43 ALA H H 1 8.013098693 . . . . . . . . 47 ALA H . 52602 1 145 . 1 . 1 43 43 ALA CA C 13 51.24576773 0.008166054256 . . . . . . . 47 ALA CA . 52602 1 146 . 1 . 1 43 43 ALA CB C 13 20.58659481 . . . . . . . . 47 ALA CB . 52602 1 147 . 1 . 1 43 43 ALA N N 15 117.1482322 . . . . . . . . 47 ALA N . 52602 1 148 . 1 . 1 44 44 HIS H H 1 7.674803972 . . . . . . . . 48 HIS H . 52602 1 149 . 1 . 1 44 44 HIS CA C 13 54.92412974 . . . . . . . . 48 HIS CA . 52602 1 150 . 1 . 1 44 44 HIS CB C 13 31.03674442 . . . . . . . . 48 HIS CB . 52602 1 151 . 1 . 1 44 44 HIS N N 15 118.1528956 . . . . . . . . 48 HIS N . 52602 1 152 . 1 . 1 46 46 SER H H 1 9.186502447 . . . . . . . . 50 SER H . 52602 1 153 . 1 . 1 46 46 SER CA C 13 60.42283022 0.02428158 . . . . . . . 50 SER CA . 52602 1 154 . 1 . 1 46 46 SER CB C 13 61.72564371 0.03246546373 . . . . . . . 50 SER CB . 52602 1 155 . 1 . 1 46 46 SER N N 15 116.1410072 . . . . . . . . 50 SER N . 52602 1 156 . 1 . 1 47 47 VAL H H 1 6.520099079 . . . . . . . . 51 VAL H . 52602 1 157 . 1 . 1 47 47 VAL CA C 13 66.01419119 0.009746639089 . . . . . . . 51 VAL CA . 52602 1 158 . 1 . 1 47 47 VAL CB C 13 31.08316624 . . . . . . . . 51 VAL CB . 52602 1 159 . 1 . 1 47 47 VAL N N 15 122.640684 . . . . . . . . 51 VAL N . 52602 1 160 . 1 . 1 48 48 LEU H H 1 8.015645021 . . . . . . . . 52 LEU H . 52602 1 161 . 1 . 1 48 48 LEU CA C 13 58.03669839 0.009507142932 . . . . . . . 52 LEU CA . 52602 1 162 . 1 . 1 48 48 LEU N N 15 117.5022507 . . . . . . . . 52 LEU N . 52602 1 163 . 1 . 1 49 49 ALA H H 1 8.295364119 . . . . . . . . 53 ALA H . 52602 1 164 . 1 . 1 49 49 ALA CA C 13 54.46508427 0.004500013343 . . . . . . . 53 ALA CA . 52602 1 165 . 1 . 1 49 49 ALA CB C 13 17.5436116 . . . . . . . . 53 ALA CB . 52602 1 166 . 1 . 1 49 49 ALA N N 15 118.0266568 . . . . . . . . 53 ALA N . 52602 1 167 . 1 . 1 50 50 ALA H H 1 7.4292389 . . . . . . . . 54 ALA H . 52602 1 168 . 1 . 1 50 50 ALA CA C 13 53.47356497 0.003980683149 . . . . . . . 54 ALA CA . 52602 1 169 . 1 . 1 50 50 ALA CB C 13 19.04191558 . . . . . . . . 54 ALA CB . 52602 1 170 . 1 . 1 50 50 ALA N N 15 116.828473 . . . . . . . . 54 ALA N . 52602 1 171 . 1 . 1 51 51 CYS H H 1 7.654998453 . . . . . . . . 55 CYS H . 52602 1 172 . 1 . 1 51 51 CYS CA C 13 60.54564924 0.00140836565 . . . . . . . 55 CYS CA . 52602 1 173 . 1 . 1 51 51 CYS CB C 13 28.32113875 . . . . . . . . 55 CYS CB . 52602 1 174 . 1 . 1 51 51 CYS N N 15 111.2037527 . . . . . . . . 55 CYS N . 52602 1 175 . 1 . 1 52 52 SER H H 1 7.703118129 . . . . . . . . 56 SER H . 52602 1 176 . 1 . 1 52 52 SER CA C 13 55.30075311 0 . . . . . . . 56 SER CA . 52602 1 177 . 1 . 1 52 52 SER CB C 13 64.11770206 . . . . . . . . 56 SER CB . 52602 1 178 . 1 . 1 52 52 SER N N 15 116.8096409 . . . . . . . . 56 SER N . 52602 1 179 . 1 . 1 53 53 SER H H 1 8.216346531 . . . . . . . . 57 SER H . 52602 1 180 . 1 . 1 53 53 SER CA C 13 61.6620205 0.006493506513 . . . . . . . 57 SER CA . 52602 1 181 . 1 . 1 53 53 SER N N 15 126.2030069 . . . . . . . . 57 SER N . 52602 1 182 . 1 . 1 54 54 TYR H H 1 7.325511538 . . . . . . . . 58 TYR H . 52602 1 183 . 1 . 1 54 54 TYR CA C 13 61.13172593 0.01790037379 . . . . . . . 58 TYR CA . 52602 1 184 . 1 . 1 54 54 TYR CB C 13 38.67750071 0.02675831136 . . . . . . . 58 TYR CB . 52602 1 185 . 1 . 1 54 54 TYR N N 15 122.2032058 . . . . . . . . 58 TYR N . 52602 1 186 . 1 . 1 55 55 PHE H H 1 8.173635264 . . . . . . . . 59 PHE H . 52602 1 187 . 1 . 1 55 55 PHE CA C 13 61.95299234 0.00388907176 . . . . . . . 59 PHE CA . 52602 1 188 . 1 . 1 55 55 PHE N N 15 116.5784855 . . . . . . . . 59 PHE N . 52602 1 189 . 1 . 1 56 56 HIS H H 1 8.741084951 . . . . . . . . 60 HIS H . 52602 1 190 . 1 . 1 56 56 HIS CA C 13 62.0617215 0.01728571393 . . . . . . . 60 HIS CA . 52602 1 191 . 1 . 1 56 56 HIS CB C 13 29.55547736 . . . . . . . . 60 HIS CB . 52602 1 192 . 1 . 1 56 56 HIS N N 15 120.0783114 . . . . . . . . 60 HIS N . 52602 1 193 . 1 . 1 57 57 SER H H 1 7.911266054 . . . . . . . . 61 SER H . 52602 1 194 . 1 . 1 57 57 SER CA C 13 61.02443707 0.0001415973541 . . . . . . . 61 SER CA . 52602 1 195 . 1 . 1 57 57 SER CB C 13 62.58031279 0.0844908159 . . . . . . . 61 SER CB . 52602 1 196 . 1 . 1 57 57 SER N N 15 111.0162621 . . . . . . . . 61 SER N . 52602 1 197 . 1 . 1 58 58 ARG H H 1 7.29500349 . . . . . . . . 62 ARG H . 52602 1 198 . 1 . 1 58 58 ARG CA C 13 56.02352945 0.01274941441 . . . . . . . 62 ARG CA . 52602 1 199 . 1 . 1 58 58 ARG CB C 13 29.53655339 . . . . . . . . 62 ARG CB . 52602 1 200 . 1 . 1 58 58 ARG N N 15 118.6408829 . . . . . . . . 62 ARG N . 52602 1 201 . 1 . 1 59 59 ILE H H 1 7.767933739 . . . . . . . . 63 ILE H . 52602 1 202 . 1 . 1 59 59 ILE CA C 13 63.25574138 0.01150114461 . . . . . . . 63 ILE CA . 52602 1 203 . 1 . 1 59 59 ILE CB C 13 39.17210155 . . . . . . . . 63 ILE CB . 52602 1 204 . 1 . 1 59 59 ILE N N 15 117.5337696 . . . . . . . . 63 ILE N . 52602 1 205 . 1 . 1 60 60 VAL H H 1 7.956118769 . . . . . . . . 64 VAL H . 52602 1 206 . 1 . 1 60 60 VAL CA C 13 65.16591696 0.0168424826 . . . . . . . 64 VAL CA . 52602 1 207 . 1 . 1 60 60 VAL CB C 13 29.88193084 0.08055304392 . . . . . . . 64 VAL CB . 52602 1 208 . 1 . 1 60 60 VAL N N 15 119.4358168 . . . . . . . . 64 VAL N . 52602 1 209 . 1 . 1 61 61 GLY H H 1 8.673967246 . . . . . . . . 65 GLY H . 52602 1 210 . 1 . 1 61 61 GLY CA C 13 44.5189813 0.01489041373 . . . . . . . 65 GLY CA . 52602 1 211 . 1 . 1 61 61 GLY N N 15 113.8911191 . . . . . . . . 65 GLY N . 52602 1 212 . 1 . 1 62 62 GLN H H 1 7.496356605 . . . . . . . . 66 GLN H . 52602 1 213 . 1 . 1 62 62 GLN CA C 13 54.36444979 0.0001496904171 . . . . . . . 66 GLN CA . 52602 1 214 . 1 . 1 62 62 GLN CB C 13 27.98578947 0.004221457984 . . . . . . . 66 GLN CB . 52602 1 215 . 1 . 1 62 62 GLN N N 15 118.3908953 . . . . . . . . 66 GLN N . 52602 1 216 . 1 . 1 63 63 ALA H H 1 8.399394817 . . . . . . . . 67 ALA H . 52602 1 217 . 1 . 1 63 63 ALA CA C 13 52.06504355 0 . . . . . . . 67 ALA CA . 52602 1 218 . 1 . 1 63 63 ALA CB C 13 18.54038986 0.01463722251 . . . . . . . 67 ALA CB . 52602 1 219 . 1 . 1 63 63 ALA N N 15 124.6405846 . . . . . . . . 67 ALA N . 52602 1 220 . 1 . 1 64 64 ASP H H 1 8.210635069 . . . . . . . . 68 ASP H . 52602 1 221 . 1 . 1 64 64 ASP CA C 13 54.52829332 0.01693568378 . . . . . . . 68 ASP CA . 52602 1 222 . 1 . 1 64 64 ASP CB C 13 40.75067997 0.009883413084 . . . . . . . 68 ASP CB . 52602 1 223 . 1 . 1 64 64 ASP N N 15 119.1593457 . . . . . . . . 68 ASP N . 52602 1 224 . 1 . 1 65 65 GLY H H 1 8.167533654 . . . . . . . . 69 GLY H . 52602 1 225 . 1 . 1 65 65 GLY CA C 13 44.1114151 0.000648463122 . . . . . . . 69 GLY CA . 52602 1 226 . 1 . 1 65 65 GLY N N 15 109.0788584 . . . . . . . . 69 GLY N . 52602 1 227 . 1 . 1 66 66 GLU H H 1 8.240752969 . . . . . . . . 70 GLU H . 52602 1 228 . 1 . 1 66 66 GLU CA C 13 56.89342276 0 . . . . . . . 70 GLU CA . 52602 1 229 . 1 . 1 66 66 GLU CB C 13 29.39309273 0.01879927144 . . . . . . . 70 GLU CB . 52602 1 230 . 1 . 1 66 66 GLU N N 15 121.0782617 . . . . . . . . 70 GLU N . 52602 1 231 . 1 . 1 67 67 LEU H H 1 8.09431434 . . . . . . . . 71 LEU H . 52602 1 232 . 1 . 1 67 67 LEU CA C 13 53.93687022 0.001681900441 . . . . . . . 71 LEU CA . 52602 1 233 . 1 . 1 67 67 LEU CB C 13 43.53552191 0.02354170382 . . . . . . . 71 LEU CB . 52602 1 234 . 1 . 1 67 67 LEU N N 15 125.4530442 . . . . . . . . 71 LEU N . 52602 1 235 . 1 . 1 68 68 ASN H H 1 8.637357589 . . . . . . . . 72 ASN H . 52602 1 236 . 1 . 1 68 68 ASN CA C 13 51.48009088 0.008645525218 . . . . . . . 72 ASN CA . 52602 1 237 . 1 . 1 68 68 ASN CB C 13 40.60416484 0.01620315945 . . . . . . . 72 ASN CB . 52602 1 238 . 1 . 1 68 68 ASN N N 15 124.5780877 . . . . . . . . 72 ASN N . 52602 1 239 . 1 . 1 69 69 ILE H H 1 9.125486352 . . . . . . . . 73 ILE H . 52602 1 240 . 1 . 1 69 69 ILE CA C 13 60.12112723 0.001060949711 . . . . . . . 73 ILE CA . 52602 1 241 . 1 . 1 69 69 ILE CB C 13 40.24290789 . . . . . . . . 73 ILE CB . 52602 1 242 . 1 . 1 69 69 ILE N N 15 123.2656529 . . . . . . . . 73 ILE N . 52602 1 243 . 1 . 1 70 70 THR H H 1 9.007098312 . . . . . . . . 74 THR H . 52602 1 244 . 1 . 1 70 70 THR CA C 13 61.93562946 0.02314153314 . . . . . . . 74 THR CA . 52602 1 245 . 1 . 1 70 70 THR CB C 13 68.84877959 . . . . . . . . 74 THR CB . 52602 1 246 . 1 . 1 70 70 THR N N 15 125.3986258 . . . . . . . . 74 THR N . 52602 1 247 . 1 . 1 71 71 LEU H H 1 8.655662417 . . . . . . . . 75 LEU H . 52602 1 248 . 1 . 1 71 71 LEU CA C 13 51.58380055 . . . . . . . . 75 LEU CA . 52602 1 249 . 1 . 1 71 71 LEU CB C 13 38.43232186 . . . . . . . . 75 LEU CB . 52602 1 250 . 1 . 1 71 71 LEU N N 15 128.7653795 . . . . . . . . 75 LEU N . 52602 1 251 . 1 . 1 72 72 PRO CA C 13 62.29081798 . . . . . . . . 76 PRO CA . 52602 1 252 . 1 . 1 72 72 PRO CB C 13 28.40851453 . . . . . . . . 76 PRO CB . 52602 1 253 . 1 . 1 73 73 GLU H H 1 8.570239884 . . . . . . . . 77 GLU H . 52602 1 254 . 1 . 1 73 73 GLU CA C 13 58.45014648 0.02909599617 . . . . . . . 77 GLU CA . 52602 1 255 . 1 . 1 73 73 GLU CB C 13 28.32106759 0.05121226981 . . . . . . . 77 GLU CB . 52602 1 256 . 1 . 1 73 73 GLU N N 15 117.0159637 . . . . . . . . 77 GLU N . 52602 1 257 . 1 . 1 74 74 GLU H H 1 8.621670323 . . . . . . . . 78 GLU H . 52602 1 258 . 1 . 1 74 74 GLU CA C 13 59.02499622 0.007070182394 . . . . . . . 78 GLU CA . 52602 1 259 . 1 . 1 74 74 GLU CB C 13 28.52461537 . . . . . . . . 78 GLU CB . 52602 1 260 . 1 . 1 74 74 GLU N N 15 118.3260204 . . . . . . . . 78 GLU N . 52602 1 261 . 1 . 1 75 75 VAL H H 1 7.90342535 . . . . . . . . 79 VAL H . 52602 1 262 . 1 . 1 75 75 VAL CA C 13 61.6312981 0.0002059715754 . . . . . . . 79 VAL CA . 52602 1 263 . 1 . 1 75 75 VAL CB C 13 29.80208171 . . . . . . . . 79 VAL CB . 52602 1 264 . 1 . 1 75 75 VAL N N 15 118.812053 . . . . . . . . 79 VAL N . 52602 1 265 . 1 . 1 76 76 THR H H 1 7.154666471 . . . . . . . . 80 THR H . 52602 1 266 . 1 . 1 76 76 THR CA C 13 57.84234657 0.006678000095 . . . . . . . 80 THR CA . 52602 1 267 . 1 . 1 76 76 THR CB C 13 70.80941086 0.003121814382 . . . . . . . 80 THR CB . 52602 1 268 . 1 . 1 76 76 THR N N 15 115.2035538 . . . . . . . . 80 THR N . 52602 1 269 . 1 . 1 77 77 VAL H H 1 9.741748915 . . . . . . . . 81 VAL H . 52602 1 270 . 1 . 1 77 77 VAL CA C 13 67.83600534 0.005402289331 . . . . . . . 81 VAL CA . 52602 1 271 . 1 . 1 77 77 VAL CB C 13 30.62387373 . . . . . . . . 81 VAL CB . 52602 1 272 . 1 . 1 77 77 VAL N N 15 124.1406094 . . . . . . . . 81 VAL N . 52602 1 273 . 1 . 1 78 78 LYS H H 1 8.232664622 . . . . . . . . 82 LYS H . 52602 1 274 . 1 . 1 78 78 LYS CA C 13 58.78098552 0.104712626 . . . . . . . 82 LYS CA . 52602 1 275 . 1 . 1 78 78 LYS CB C 13 31.37604798 . . . . . . . . 82 LYS CB . 52602 1 276 . 1 . 1 78 78 LYS N N 15 118.3709942 . . . . . . . . 82 LYS N . 52602 1 277 . 1 . 1 79 79 GLY H H 1 7.459746948 . . . . . . . . 83 GLY H . 52602 1 278 . 1 . 1 79 79 GLY CA C 13 45.13883883 0.003607014189 . . . . . . . 83 GLY CA . 52602 1 279 . 1 . 1 79 79 GLY N N 15 101.6417282 . . . . . . . . 83 GLY N . 52602 1 280 . 1 . 1 80 80 PHE H H 1 8.661764027 . . . . . . . . 84 PHE H . 52602 1 281 . 1 . 1 80 80 PHE CA C 13 60.73049764 0.002288871407 . . . . . . . 84 PHE CA . 52602 1 282 . 1 . 1 80 80 PHE N N 15 118.4533922 . . . . . . . . 84 PHE N . 52602 1 283 . 1 . 1 81 81 GLU H H 1 9.107181523 . . . . . . . . 85 GLU H . 52602 1 284 . 1 . 1 81 81 GLU CA C 13 61.24309096 . . . . . . . . 85 GLU CA . 52602 1 285 . 1 . 1 81 81 GLU N N 15 121.0782617 . . . . . . . . 85 GLU N . 52602 1 286 . 1 . 1 83 83 LEU H H 1 7.191276128 . . . . . . . . 87 LEU H . 52602 1 287 . 1 . 1 83 83 LEU CA C 13 59.04232428 0.006842558259 . . . . . . . 87 LEU CA . 52602 1 288 . 1 . 1 83 83 LEU N N 15 119.5158394 . . . . . . . . 87 LEU N . 52602 1 289 . 1 . 1 84 84 ILE H H 1 8.155330435 . . . . . . . . 88 ILE H . 52602 1 290 . 1 . 1 84 84 ILE CA C 13 60.95366654 0.006060964444 . . . . . . . 88 ILE CA . 52602 1 291 . 1 . 1 84 84 ILE N N 15 123.9531188 . . . . . . . . 88 ILE N . 52602 1 292 . 1 . 1 85 85 GLN H H 1 8.59653138 . . . . . . . . 89 GLN H . 52602 1 293 . 1 . 1 85 85 GLN CA C 13 54.51491639 0.004453415068 . . . . . . . 89 GLN CA . 52602 1 294 . 1 . 1 85 85 GLN N N 15 122.2085691 . . . . . . . . 89 GLN N . 52602 1 295 . 1 . 1 86 86 PHE H H 1 6.90450048 . . . . . . . . 90 PHE H . 52602 1 296 . 1 . 1 86 86 PHE CA C 13 60.0219393 . . . . . . . . 90 PHE CA . 52602 1 297 . 1 . 1 86 86 PHE N N 15 109.5163366 . . . . . . . . 90 PHE N . 52602 1 298 . 1 . 1 87 87 ALA H H 1 8.966844504 . . . . . . . . 91 ALA H . 52602 1 299 . 1 . 1 87 87 ALA CA C 13 53.8216938 0.01588948071 . . . . . . . 91 ALA CA . 52602 1 300 . 1 . 1 87 87 ALA CB C 13 18.69466081 . . . . . . . . 91 ALA CB . 52602 1 301 . 1 . 1 87 87 ALA N N 15 121.2032555 . . . . . . . . 91 ALA N . 52602 1 302 . 1 . 1 88 88 TYR H H 1 7.636693625 . . . . . . . . 92 TYR H . 52602 1 303 . 1 . 1 88 88 TYR CA C 13 54.77941784 . . . . . . . . 92 TYR CA . 52602 1 304 . 1 . 1 88 88 TYR N N 15 118.3283985 . . . . . . . . 92 TYR N . 52602 1 305 . 1 . 1 89 89 THR H H 1 7.30232188 . . . . . . . . 93 THR H . 52602 1 306 . 1 . 1 89 89 THR CA C 13 62.30440743 . . . . . . . . 93 THR CA . 52602 1 307 . 1 . 1 89 89 THR N N 15 104.1112075 . . . . . . . . 93 THR N . 52602 1 308 . 1 . 1 92 92 LEU H H 1 9.589208677 . . . . . . . . 96 LEU H . 52602 1 309 . 1 . 1 92 92 LEU CA C 13 52.46271991 0.02901494689 . . . . . . . 96 LEU CA . 52602 1 310 . 1 . 1 92 92 LEU N N 15 129.1403608 . . . . . . . . 96 LEU N . 52602 1 311 . 1 . 1 93 93 ILE H H 1 8.374132834 . . . . . . . . 97 ILE H . 52602 1 312 . 1 . 1 93 93 ILE CA C 13 60.18673356 0.03537007048 . . . . . . . 97 ILE CA . 52602 1 313 . 1 . 1 93 93 ILE CB C 13 41.30141175 . . . . . . . . 97 ILE CB . 52602 1 314 . 1 . 1 93 93 ILE N N 15 127.4694316 . . . . . . . . 97 ILE N . 52602 1 315 . 1 . 1 94 94 LEU H H 1 8.728881732 . . . . . . . . 98 LEU H . 52602 1 316 . 1 . 1 94 94 LEU CA C 13 52.52508676 0.02183434739 . . . . . . . 98 LEU CA . 52602 1 317 . 1 . 1 94 94 LEU N N 15 127.5779385 . . . . . . . . 98 LEU N . 52602 1 318 . 1 . 1 95 95 SER H H 1 8.997352551 . . . . . . . . 99 SER H . 52602 1 319 . 1 . 1 95 95 SER CA C 13 55.34386356 0.003222880939 . . . . . . . 99 SER CA . 52602 1 320 . 1 . 1 95 95 SER CB C 13 67.61198762 0 . . . . . . . 99 SER CB . 52602 1 321 . 1 . 1 95 95 SER N N 15 115.4535414 . . . . . . . . 99 SER N . 52602 1 322 . 1 . 1 96 96 LYS H H 1 8.692272075 . . . . . . . . 100 LYS H . 52602 1 323 . 1 . 1 96 96 LYS CA C 13 58.92297778 0.01703403145 . . . . . . . 100 LYS CA . 52602 1 324 . 1 . 1 96 96 LYS CB C 13 31.04644378 0.04589092481 . . . . . . . 100 LYS CB . 52602 1 325 . 1 . 1 96 96 LYS N N 15 120.4532928 . . . . . . . . 100 LYS N . 52602 1 326 . 1 . 1 97 97 GLU H H 1 8.002790197 . . . . . . . . 101 GLU H . 52602 1 327 . 1 . 1 97 97 GLU CA C 13 58.0481075 0.008541837337 . . . . . . . 101 GLU CA . 52602 1 328 . 1 . 1 97 97 GLU CB C 13 28.75790468 . . . . . . . . 101 GLU CB . 52602 1 329 . 1 . 1 97 97 GLU N N 15 114.7660756 . . . . . . . . 101 GLU N . 52602 1 330 . 1 . 1 98 98 ASN H H 1 7.709912939 . . . . . . . . 102 ASN H . 52602 1 331 . 1 . 1 98 98 ASN CA C 13 51.75493164 0.02533175238 . . . . . . . 102 ASN CA . 52602 1 332 . 1 . 1 98 98 ASN CB C 13 39.29757079 . . . . . . . . 102 ASN CB . 52602 1 333 . 1 . 1 98 98 ASN N N 15 115.3285476 . . . . . . . . 102 ASN N . 52602 1 334 . 1 . 1 99 99 VAL H H 1 7.939032855 . . . . . . . . 103 VAL H . 52602 1 335 . 1 . 1 99 99 VAL CA C 13 66.71323166 0.008853921701 . . . . . . . 103 VAL CA . 52602 1 336 . 1 . 1 99 99 VAL N N 15 121.4001666 . . . . . . . . 103 VAL N . 52602 1 337 . 1 . 1 100 100 ASP H H 1 8.046056321 . . . . . . . . 104 ASP H . 52602 1 338 . 1 . 1 100 100 ASP CA C 13 57.40221698 0 . . . . . . . 104 ASP CA . 52602 1 339 . 1 . 1 100 100 ASP CB C 13 39.4791911 . . . . . . . . 104 ASP CB . 52602 1 340 . 1 . 1 100 100 ASP N N 15 121.2973118 . . . . . . . . 104 ASP N . 52602 1 341 . 1 . 1 101 101 GLU H H 1 8.072527509 . . . . . . . . 105 GLU H . 52602 1 342 . 1 . 1 101 101 GLU CA C 13 58.94767152 0 . . . . . . . 105 GLU CA . 52602 1 343 . 1 . 1 101 101 GLU CB C 13 28.02008133 . . . . . . . . 105 GLU CB . 52602 1 344 . 1 . 1 101 101 GLU N N 15 120.2648471 . . . . . . . . 105 GLU N . 52602 1 345 . 1 . 1 102 102 VAL H H 1 8.716678513 . . . . . . . . 106 VAL H . 52602 1 346 . 1 . 1 102 102 VAL CA C 13 66.32224706 0.00125765057 . . . . . . . 106 VAL CA . 52602 1 347 . 1 . 1 102 102 VAL CB C 13 30.59164582 . . . . . . . . 106 VAL CB . 52602 1 348 . 1 . 1 102 102 VAL N N 15 120.9532679 . . . . . . . . 106 VAL N . 52602 1 349 . 1 . 1 103 103 CYS H H 1 8.380093366 . . . . . . . . 107 CYS H . 52602 1 350 . 1 . 1 103 103 CYS CA C 13 63.61571139 0.005252981539 . . . . . . . 107 CYS CA . 52602 1 351 . 1 . 1 103 103 CYS CB C 13 25.46775951 . . . . . . . . 107 CYS CB . 52602 1 352 . 1 . 1 103 103 CYS N N 15 118.7334502 . . . . . . . . 107 CYS N . 52602 1 353 . 1 . 1 104 104 LYS H H 1 7.654998453 . . . . . . . . 108 LYS H . 52602 1 354 . 1 . 1 104 104 LYS CA C 13 58.99030517 0.00367261236 . . . . . . . 108 LYS CA . 52602 1 355 . 1 . 1 104 104 LYS N N 15 118.7033798 . . . . . . . . 108 LYS N . 52602 1 356 . 1 . 1 105 105 CYS H H 1 8.024042057 . . . . . . . . 109 CYS H . 52602 1 357 . 1 . 1 105 105 CYS CA C 13 64.49273941 0.007734113378 . . . . . . . 109 CYS CA . 52602 1 358 . 1 . 1 105 105 CYS N N 15 119.3908837 . . . . . . . . 109 CYS N . 52602 1 359 . 1 . 1 106 106 VAL H H 1 8.795999437 . . . . . . . . 110 VAL H . 52602 1 360 . 1 . 1 106 106 VAL CA C 13 67.45799185 0.01265400742 . . . . . . . 110 VAL CA . 52602 1 361 . 1 . 1 106 106 VAL N N 15 122.5156902 . . . . . . . . 110 VAL N . 52602 1 362 . 1 . 1 107 107 GLU H H 1 7.228209359 . . . . . . . . 111 GLU H . 52602 1 363 . 1 . 1 107 107 GLU CA C 13 58.31375877 0.002450885197 . . . . . . . 111 GLU CA . 52602 1 364 . 1 . 1 107 107 GLU CB C 13 28.46813751 . . . . . . . . 111 GLU CB . 52602 1 365 . 1 . 1 107 107 GLU N N 15 117.5324124 . . . . . . . . 111 GLU N . 52602 1 366 . 1 . 1 108 108 PHE H H 1 8.436004474 . . . . . . . . 112 PHE H . 52602 1 367 . 1 . 1 108 108 PHE CA C 13 61.60452824 0.0017233453 . . . . . . . 112 PHE CA . 52602 1 368 . 1 . 1 108 108 PHE N N 15 120.2033052 . . . . . . . . 112 PHE N . 52602 1 369 . 1 . 1 109 109 LEU H H 1 8.252956188 . . . . . . . . 113 LEU H . 52602 1 370 . 1 . 1 109 109 LEU CA C 13 53.41042662 0.002564214153 . . . . . . . 113 LEU CA . 52602 1 371 . 1 . 1 109 109 LEU N N 15 112.0162123 . . . . . . . . 113 LEU N . 52602 1 372 . 1 . 1 110 110 SER H H 1 7.992882202 . . . . . . . . 114 SER H . 52602 1 373 . 1 . 1 110 110 SER CA C 13 58.28650738 0.01181349021 . . . . . . . 114 SER CA . 52602 1 374 . 1 . 1 110 110 SER CB C 13 61.03358843 . . . . . . . . 114 SER CB . 52602 1 375 . 1 . 1 110 110 SER N N 15 120.4370158 . . . . . . . . 114 SER N . 52602 1 376 . 1 . 1 111 111 VAL H H 1 7.026532671 . . . . . . . . 115 VAL H . 52602 1 377 . 1 . 1 111 111 VAL CA C 13 62.04643523 0.01433862933 . . . . . . . 115 VAL CA . 52602 1 378 . 1 . 1 111 111 VAL CB C 13 31.05771231 0.03944010786 . . . . . . . 115 VAL CB . 52602 1 379 . 1 . 1 111 111 VAL N N 15 118.3908953 . . . . . . . . 115 VAL N . 52602 1 380 . 1 . 1 112 112 HIS H H 1 7.575677529 . . . . . . . . 116 HIS H . 52602 1 381 . 1 . 1 112 112 HIS CA C 13 54.79202459 0.001979546605 . . . . . . . 116 HIS CA . 52602 1 382 . 1 . 1 112 112 HIS CB C 13 29.55643152 0.001310404731 . . . . . . . 116 HIS CB . 52602 1 383 . 1 . 1 112 112 HIS N N 15 126.2030069 . . . . . . . . 116 HIS N . 52602 1 384 . 1 . 1 113 113 ASN H H 1 8.576341493 . . . . . . . . 117 ASN H . 52602 1 385 . 1 . 1 113 113 ASN CA C 13 54.453787 0.001606600326 . . . . . . . 117 ASN CA . 52602 1 386 . 1 . 1 113 113 ASN CB C 13 36.32005829 0.08455426393 . . . . . . . 117 ASN CB . 52602 1 387 . 1 . 1 113 113 ASN N N 15 108.2039019 . . . . . . . . 117 ASN N . 52602 1 388 . 1 . 1 114 114 ILE H H 1 8.313972283 . . . . . . . . 118 ILE H . 52602 1 389 . 1 . 1 114 114 ILE CA C 13 60.5767197 . . . . . . . . 118 ILE CA . 52602 1 390 . 1 . 1 114 114 ILE CB C 13 38.08462125 . . . . . . . . 118 ILE CB . 52602 1 391 . 1 . 1 114 114 ILE N N 15 120.0158145 . . . . . . . . 118 ILE N . 52602 1 392 . 1 . 1 115 115 GLU H H 1 7.215682566 . . . . . . . . 119 GLU H . 52602 1 393 . 1 . 1 115 115 GLU CA C 13 55.78840363 0.01103597694 . . . . . . . 119 GLU CA . 52602 1 394 . 1 . 1 115 115 GLU CB C 13 29.34661229 0.03036540652 . . . . . . . 119 GLU CB . 52602 1 395 . 1 . 1 115 115 GLU N N 15 126.8279758 . . . . . . . . 119 GLU N . 52602 1 396 . 1 . 1 116 116 GLU H H 1 8.758491031 . . . . . . . . 120 GLU H . 52602 1 397 . 1 . 1 116 116 GLU CA C 13 58.59608639 0.004901271301 . . . . . . . 120 GLU CA . 52602 1 398 . 1 . 1 116 116 GLU CB C 13 28.23141486 0.04918299746 . . . . . . . 120 GLU CB . 52602 1 399 . 1 . 1 116 116 GLU N N 15 123.7902174 . . . . . . . . 120 GLU N . 52602 1 400 . 1 . 1 117 117 SER H H 1 8.09431434 . . . . . . . . 121 SER H . 52602 1 401 . 1 . 1 117 117 SER CA C 13 59.90288492 0.01384514569 . . . . . . . 121 SER CA . 52602 1 402 . 1 . 1 117 117 SER CB C 13 61.84384503 . . . . . . . . 121 SER CB . 52602 1 403 . 1 . 1 117 117 SER N N 15 114.0786098 . . . . . . . . 121 SER N . 52602 1 404 . 1 . 1 118 118 CYS H H 1 7.459746948 . . . . . . . . 122 CYS H . 52602 1 405 . 1 . 1 118 118 CYS CA C 13 60.87600582 0.01744236797 . . . . . . . 122 CYS CA . 52602 1 406 . 1 . 1 118 118 CYS CB C 13 26.03452402 0.008937082851 . . . . . . . 122 CYS CB . 52602 1 407 . 1 . 1 118 118 CYS N N 15 120.328299 . . . . . . . . 122 CYS N . 52602 1 408 . 1 . 1 119 119 PHE H H 1 6.837382775 . . . . . . . . 123 PHE H . 52602 1 409 . 1 . 1 119 119 PHE CA C 13 57.70117537 0.01694124006 . . . . . . . 123 PHE CA . 52602 1 410 . 1 . 1 119 119 PHE CB C 13 37.39244257 . . . . . . . . 123 PHE CB . 52602 1 411 . 1 . 1 119 119 PHE N N 15 114.1411067 . . . . . . . . 123 PHE N . 52602 1 412 . 1 . 1 120 120 GLN H H 1 7.319409929 . . . . . . . . 124 GLN H . 52602 1 413 . 1 . 1 120 120 GLN CA C 13 56.59250182 0.001326415618 . . . . . . . 124 GLN CA . 52602 1 414 . 1 . 1 120 120 GLN CB C 13 27.52764072 0.04305767203 . . . . . . . 124 GLN CB . 52602 1 415 . 1 . 1 120 120 GLN N N 15 117.5159389 . . . . . . . . 124 GLN N . 52602 1 416 . 1 . 1 121 121 PHE H H 1 7.417035681 . . . . . . . . 125 PHE H . 52602 1 417 . 1 . 1 121 121 PHE CA C 13 58.02146155 0 . . . . . . . 125 PHE CA . 52602 1 418 . 1 . 1 121 121 PHE CB C 13 37.2074817 0.02318378733 . . . . . . . 125 PHE CB . 52602 1 419 . 1 . 1 121 121 PHE N N 15 116.5159886 . . . . . . . . 125 PHE N . 52602 1 420 . 1 . 1 122 122 LEU H H 1 7.148564861 . . . . . . . . 126 LEU H . 52602 1 421 . 1 . 1 122 122 LEU CA C 13 54.58446997 0.00984520557 . . . . . . . 126 LEU CA . 52602 1 422 . 1 . 1 122 122 LEU CB C 13 41.00200416 0.03762040937 . . . . . . . 126 LEU CB . 52602 1 423 . 1 . 1 122 122 LEU N N 15 119.5158394 . . . . . . . . 126 LEU N . 52602 1 424 . 1 . 1 123 123 LYS H H 1 7.523393126 . . . . . . . . 127 LYS H . 52602 1 425 . 1 . 1 123 123 LYS CA C 13 55.409237 0.007614969266 . . . . . . . 127 LYS CA . 52602 1 426 . 1 . 1 123 123 LYS CB C 13 31.97786292 0.04214984924 . . . . . . . 127 LYS CB . 52602 1 427 . 1 . 1 123 123 LYS N N 15 120.4336058 . . . . . . . . 127 LYS N . 52602 1 428 . 1 . 1 124 124 PHE H H 1 7.496356605 . . . . . . . . 128 PHE H . 52602 1 429 . 1 . 1 124 124 PHE CA C 13 58.66095161 . . . . . . . . 128 PHE CA . 52602 1 430 . 1 . 1 124 124 PHE CB C 13 39.38965383 0 . . . . . . . 128 PHE CB . 52602 1 431 . 1 . 1 124 124 PHE N N 15 125.3905473 . . . . . . . . 128 PHE N . 52602 1 stop_ save_