################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16076 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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 'two times the digital resolution of HSQC15N for 1H and 15N, and HNCA for 13C.' _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' . . . 16076 1 3 '3D HNCO' . . . 16076 1 4 '3D HNCA' . . . 16076 1 5 '3D HN(CA)CO' . . . 16076 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 $CARA . . 16076 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 GLN C C 13 176.532 0.3 . 1 . . . . . 91 GLN C . 16076 1 2 . 1 1 1 1 GLN CA C 13 55.625 0.3 . 1 . . . . . 91 GLN CA . 16076 1 3 . 1 1 2 2 GLY H H 1 8.521 0.020 . 1 . . . . . 92 GLY H . 16076 1 4 . 1 1 2 2 GLY C C 13 174.743 0.3 . 1 . . . . . 92 GLY C . 16076 1 5 . 1 1 2 2 GLY CA C 13 44.901 0.3 . 1 . . . . . 92 GLY CA . 16076 1 6 . 1 1 2 2 GLY N N 15 110.584 0.3 . 1 . . . . . 92 GLY N . 16076 1 7 . 1 1 3 3 GLY H H 1 8.384 0.020 . 1 . . . . . 93 GLY H . 16076 1 8 . 1 1 3 3 GLY C C 13 174.756 0.3 . 1 . . . . . 93 GLY C . 16076 1 9 . 1 1 3 3 GLY CA C 13 44.946 0.3 . 1 . . . . . 93 GLY CA . 16076 1 10 . 1 1 3 3 GLY N N 15 109.222 0.3 . 1 . . . . . 93 GLY N . 16076 1 11 . 1 1 4 4 GLY H H 1 8.411 0.020 . 1 . . . . . 94 GLY H . 16076 1 12 . 1 1 4 4 GLY C C 13 174.527 0.3 . 1 . . . . . 94 GLY C . 16076 1 13 . 1 1 4 4 GLY CA C 13 44.801 0.3 . 1 . . . . . 94 GLY CA . 16076 1 14 . 1 1 4 4 GLY N N 15 109.137 0.3 . 1 . . . . . 94 GLY N . 16076 1 15 . 1 1 5 5 THR H H 1 8.178 0.020 . 1 . . . . . 95 THR H . 16076 1 16 . 1 1 5 5 THR CA C 13 61.617 0.3 . 1 . . . . . 95 THR CA . 16076 1 17 . 1 1 5 5 THR N N 15 113.664 0.3 . 1 . . . . . 95 THR N . 16076 1 18 . 1 1 7 7 ASN C C 13 175.273 0.3 . 1 . . . . . 97 ASN C . 16076 1 19 . 1 1 7 7 ASN CA C 13 52.849 0.3 . 1 . . . . . 97 ASN CA . 16076 1 20 . 1 1 8 8 GLN H H 1 8.384 0.020 . 1 . . . . . 98 GLN H . 16076 1 21 . 1 1 8 8 GLN C C 13 175.919 0.3 . 1 . . . . . 98 GLN C . 16076 1 22 . 1 1 8 8 GLN CA C 13 56.011 0.3 . 1 . . . . . 98 GLN CA . 16076 1 23 . 1 1 8 8 GLN N N 15 120.572 0.3 . 1 . . . . . 98 GLN N . 16076 1 24 . 1 1 9 9 TRP H H 1 8.098 0.020 . 1 . . . . . 99 TRP H . 16076 1 25 . 1 1 9 9 TRP C C 13 176.117 0.3 . 1 . . . . . 99 TRP C . 16076 1 26 . 1 1 9 9 TRP CA C 13 56.976 0.3 . 1 . . . . . 99 TRP CA . 16076 1 27 . 1 1 9 9 TRP N N 15 121.328 0.3 . 1 . . . . . 99 TRP N . 16076 1 28 . 1 1 10 10 ASN H H 1 8.119 0.020 . 1 . . . . . 100 ASN H . 16076 1 29 . 1 1 10 10 ASN C C 13 175.062 0.3 . 1 . . . . . 100 ASN C . 16076 1 30 . 1 1 10 10 ASN CA C 13 52.927 0.3 . 1 . . . . . 100 ASN CA . 16076 1 31 . 1 1 10 10 ASN N N 15 120.111 0.3 . 1 . . . . . 100 ASN N . 16076 1 32 . 1 1 11 11 LYS H H 1 8.069 0.020 . 1 . . . . . 101 LYS H . 16076 1 33 . 1 1 11 11 LYS C C 13 176.560 0.3 . 1 . . . . . 101 LYS C . 16076 1 34 . 1 1 11 11 LYS CA C 13 56.326 0.3 . 1 . . . . . 101 LYS CA . 16076 1 35 . 1 1 11 11 LYS N N 15 121.498 0.3 . 1 . . . . . 101 LYS N . 16076 1 36 . 1 1 12 12 LEU H H 1 8.156 0.020 . 1 . . . . . 102 LEU H . 16076 1 37 . 1 1 12 12 LEU C C 13 177.331 0.3 . 1 . . . . . 102 LEU C . 16076 1 38 . 1 1 12 12 LEU CA C 13 54.671 0.3 . 1 . . . . . 102 LEU CA . 16076 1 39 . 1 1 12 12 LEU N N 15 122.218 0.3 . 1 . . . . . 102 LEU N . 16076 1 40 . 1 1 13 13 SER H H 1 8.194 0.020 . 1 . . . . . 103 SER H . 16076 1 41 . 1 1 13 13 SER C C 13 173.944 0.3 . 1 . . . . . 103 SER C . 16076 1 42 . 1 1 13 13 SER CA C 13 57.825 0.3 . 1 . . . . . 103 SER CA . 16076 1 43 . 1 1 13 13 SER N N 15 117.169 0.3 . 1 . . . . . 103 SER N . 16076 1 44 . 1 1 14 14 LYS H H 1 8.307 0.020 . 1 . . . . . 104 LYS H . 16076 1 45 . 1 1 14 14 LYS C C 13 174.355 0.3 . 1 . . . . . 104 LYS C . 16076 1 46 . 1 1 14 14 LYS CA C 13 53.844 0.3 . 1 . . . . . 104 LYS CA . 16076 1 47 . 1 1 14 14 LYS N N 15 124.662 0.3 . 1 . . . . . 104 LYS N . 16076 1 48 . 1 1 15 15 PRO C C 13 176.869 0.3 . 1 . . . . . 105 PRO C . 16076 1 49 . 1 1 15 15 PRO CA C 13 62.643 0.3 . 1 . . . . . 105 PRO CA . 16076 1 50 . 1 1 16 16 LYS H H 1 8.568 0.020 . 1 . . . . . 106 LYS H . 16076 1 51 . 1 1 16 16 LYS C C 13 176.817 0.3 . 1 . . . . . 106 LYS C . 16076 1 52 . 1 1 16 16 LYS CA C 13 55.970 0.3 . 1 . . . . . 106 LYS CA . 16076 1 53 . 1 1 16 16 LYS N N 15 122.346 0.3 . 1 . . . . . 106 LYS N . 16076 1 54 . 1 1 17 17 THR H H 1 8.183 0.020 . 1 . . . . . 107 THR H . 16076 1 55 . 1 1 17 17 THR C C 13 173.961 0.3 . 1 . . . . . 107 THR C . 16076 1 56 . 1 1 17 17 THR CA C 13 61.222 0.3 . 1 . . . . . 107 THR CA . 16076 1 57 . 1 1 17 17 THR N N 15 115.569 0.3 . 1 . . . . . 107 THR N . 16076 1 58 . 1 1 18 18 ASN H H 1 8.572 0.020 . 1 . . . . . 108 ASN H . 16076 1 59 . 1 1 18 18 ASN C C 13 174.998 0.3 . 1 . . . . . 108 ASN C . 16076 1 60 . 1 1 18 18 ASN CA C 13 52.620 0.3 . 1 . . . . . 108 ASN CA . 16076 1 61 . 1 1 18 18 ASN N N 15 121.856 0.3 . 1 . . . . . 108 ASN N . 16076 1 62 . 1 1 19 19 LEU H H 1 8.284 0.020 . 1 . . . . . 109 LEU H . 16076 1 63 . 1 1 19 19 LEU C C 13 177.214 0.3 . 1 . . . . . 109 LEU C . 16076 1 64 . 1 1 19 19 LEU CA C 13 54.881 0.3 . 1 . . . . . 109 LEU CA . 16076 1 65 . 1 1 19 19 LEU N N 15 123.320 0.3 . 1 . . . . . 109 LEU N . 16076 1 66 . 1 1 20 20 LYS H H 1 8.307 0.020 . 1 . . . . . 110 LYS H . 16076 1 67 . 1 1 20 20 LYS C C 13 176.215 0.3 . 1 . . . . . 110 LYS C . 16076 1 68 . 1 1 20 20 LYS CA C 13 55.994 0.3 . 1 . . . . . 110 LYS CA . 16076 1 69 . 1 1 20 20 LYS N N 15 122.014 0.3 . 1 . . . . . 110 LYS N . 16076 1 70 . 1 1 21 21 HIS H H 1 8.287 0.020 . 1 . . . . . 111 HIS H . 16076 1 71 . 1 1 21 21 HIS C C 13 175.308 0.3 . 1 . . . . . 111 HIS C . 16076 1 72 . 1 1 21 21 HIS CA C 13 55.896 0.3 . 1 . . . . . 111 HIS CA . 16076 1 73 . 1 1 21 21 HIS N N 15 121.437 0.3 . 1 . . . . . 111 HIS N . 16076 1 74 . 1 1 22 22 VAL H H 1 8.040 0.020 . 1 . . . . . 112 VAL H . 16076 1 75 . 1 1 22 22 VAL C C 13 175.543 0.3 . 1 . . . . . 112 VAL C . 16076 1 76 . 1 1 22 22 VAL CA C 13 61.627 0.3 . 1 . . . . . 112 VAL CA . 16076 1 77 . 1 1 22 22 VAL N N 15 123.062 0.3 . 1 . . . . . 112 VAL N . 16076 1 78 . 1 1 23 23 ALA H H 1 8.463 0.020 . 1 . . . . . 113 ALA H . 16076 1 79 . 1 1 23 23 ALA C C 13 178.202 0.3 . 1 . . . . . 113 ALA C . 16076 1 80 . 1 1 23 23 ALA CA C 13 52.293 0.3 . 1 . . . . . 113 ALA CA . 16076 1 81 . 1 1 23 23 ALA N N 15 128.376 0.3 . 1 . . . . . 113 ALA N . 16076 1 82 . 1 1 24 24 GLY H H 1 8.425 0.020 . 1 . . . . . 114 GLY H . 16076 1 83 . 1 1 24 24 GLY C C 13 173.980 0.3 . 1 . . . . . 114 GLY C . 16076 1 84 . 1 1 24 24 GLY CA C 13 44.786 0.3 . 1 . . . . . 114 GLY CA . 16076 1 85 . 1 1 24 24 GLY N N 15 108.962 0.3 . 1 . . . . . 114 GLY N . 16076 1 86 . 1 1 25 25 ALA H H 1 8.167 0.020 . 1 . . . . . 115 ALA H . 16076 1 87 . 1 1 25 25 ALA C C 13 177.707 0.3 . 1 . . . . . 115 ALA C . 16076 1 88 . 1 1 25 25 ALA CA C 13 52.182 0.3 . 1 . . . . . 115 ALA CA . 16076 1 89 . 1 1 25 25 ALA N N 15 124.124 0.3 . 1 . . . . . 115 ALA N . 16076 1 90 . 1 1 26 26 ALA H H 1 8.327 0.020 . 1 . . . . . 116 ALA H . 16076 1 91 . 1 1 26 26 ALA C C 13 177.623 0.3 . 1 . . . . . 116 ALA C . 16076 1 92 . 1 1 26 26 ALA CA C 13 52.083 0.3 . 1 . . . . . 116 ALA CA . 16076 1 93 . 1 1 26 26 ALA N N 15 123.452 0.3 . 1 . . . . . 116 ALA N . 16076 1 94 . 1 1 27 27 ALA H H 1 8.237 0.020 . 1 . . . . . 117 ALA H . 16076 1 95 . 1 1 27 27 ALA C C 13 177.605 0.3 . 1 . . . . . 117 ALA C . 16076 1 96 . 1 1 27 27 ALA CA C 13 52.111 0.3 . 1 . . . . . 117 ALA CA . 16076 1 97 . 1 1 27 27 ALA N N 15 123.596 0.3 . 1 . . . . . 117 ALA N . 16076 1 98 . 1 1 28 28 ALA H H 1 8.268 0.020 . 1 . . . . . 118 ALA H . 16076 1 99 . 1 1 28 28 ALA C C 13 178.257 0.3 . 1 . . . . . 118 ALA C . 16076 1 100 . 1 1 28 28 ALA CA C 13 52.342 0.3 . 1 . . . . . 118 ALA CA . 16076 1 101 . 1 1 28 28 ALA N N 15 123.563 0.3 . 1 . . . . . 118 ALA N . 16076 1 102 . 1 1 29 29 GLY H H 1 8.321 0.020 . 1 . . . . . 119 GLY H . 16076 1 103 . 1 1 29 29 GLY C C 13 173.689 0.3 . 1 . . . . . 119 GLY C . 16076 1 104 . 1 1 29 29 GLY CA C 13 44.786 0.3 . 1 . . . . . 119 GLY CA . 16076 1 105 . 1 1 29 29 GLY N N 15 108.224 0.3 . 1 . . . . . 119 GLY N . 16076 1 106 . 1 1 30 30 ALA H H 1 8.101 0.020 . 1 . . . . . 120 ALA H . 16076 1 107 . 1 1 30 30 ALA C C 13 177.559 0.3 . 1 . . . . . 120 ALA C . 16076 1 108 . 1 1 30 30 ALA CA C 13 51.955 0.3 . 1 . . . . . 120 ALA CA . 16076 1 109 . 1 1 30 30 ALA N N 15 123.834 0.3 . 1 . . . . . 120 ALA N . 16076 1 110 . 1 1 31 31 VAL H H 1 8.167 0.020 . 1 . . . . . 121 VAL H . 16076 1 111 . 1 1 31 31 VAL C C 13 176.363 0.3 . 1 . . . . . 121 VAL C . 16076 1 112 . 1 1 31 31 VAL CA C 13 61.767 0.3 . 1 . . . . . 121 VAL CA . 16076 1 113 . 1 1 31 31 VAL N N 15 119.904 0.3 . 1 . . . . . 121 VAL N . 16076 1 114 . 1 1 32 32 VAL H H 1 8.321 0.020 . 1 . . . . . 122 VAL H . 16076 1 115 . 1 1 32 32 VAL C C 13 176.647 0.3 . 1 . . . . . 122 VAL C . 16076 1 116 . 1 1 32 32 VAL CA C 13 62.099 0.3 . 1 . . . . . 122 VAL CA . 16076 1 117 . 1 1 32 32 VAL N N 15 125.034 0.3 . 1 . . . . . 122 VAL N . 16076 1 118 . 1 1 33 33 GLY H H 1 8.612 0.020 . 1 . . . . . 123 GLY H . 16076 1 119 . 1 1 33 33 GLY C C 13 174.735 0.3 . 1 . . . . . 123 GLY C . 16076 1 120 . 1 1 33 33 GLY CA C 13 44.956 0.3 . 1 . . . . . 123 GLY CA . 16076 1 121 . 1 1 33 33 GLY N N 15 113.686 0.3 . 1 . . . . . 123 GLY N . 16076 1 122 . 1 1 34 34 GLY H H 1 8.308 0.020 . 1 . . . . . 124 GLY H . 16076 1 123 . 1 1 34 34 GLY C C 13 174.350 0.3 . 1 . . . . . 124 GLY C . 16076 1 124 . 1 1 34 34 GLY CA C 13 44.911 0.3 . 1 . . . . . 124 GLY CA . 16076 1 125 . 1 1 34 34 GLY N N 15 108.731 0.3 . 1 . . . . . 124 GLY N . 16076 1 126 . 1 1 35 35 LEU H H 1 8.242 0.020 . 1 . . . . . 125 LEU H . 16076 1 127 . 1 1 35 35 LEU C C 13 177.940 0.3 . 1 . . . . . 125 LEU C . 16076 1 128 . 1 1 35 35 LEU CA C 13 54.525 0.3 . 1 . . . . . 125 LEU CA . 16076 1 129 . 1 1 35 35 LEU N N 15 122.020 0.3 . 1 . . . . . 125 LEU N . 16076 1 130 . 1 1 36 36 GLY H H 1 8.583 0.020 . 1 . . . . . 126 GLY H . 16076 1 131 . 1 1 36 36 GLY C C 13 174.807 0.3 . 1 . . . . . 126 GLY C . 16076 1 132 . 1 1 36 36 GLY CA C 13 45.873 0.3 . 1 . . . . . 126 GLY CA . 16076 1 133 . 1 1 36 36 GLY N N 15 110.217 0.3 . 1 . . . . . 126 GLY N . 16076 1 134 . 1 1 37 37 GLY H H 1 8.417 0.020 . 1 . . . . . 127 GLY H . 16076 1 135 . 1 1 37 37 GLY C C 13 173.944 0.3 . 1 . . . . . 127 GLY C . 16076 1 136 . 1 1 37 37 GLY CA C 13 44.792 0.3 . 1 . . . . . 127 GLY CA . 16076 1 137 . 1 1 37 37 GLY N N 15 109.543 0.3 . 1 . . . . . 127 GLY N . 16076 1 138 . 1 1 38 38 TYR H H 1 7.870 0.020 . 1 . . . . . 128 TYR H . 16076 1 139 . 1 1 38 38 TYR C C 13 175.720 0.3 . 1 . . . . . 128 TYR C . 16076 1 140 . 1 1 38 38 TYR CA C 13 57.968 0.3 . 1 . . . . . 128 TYR CA . 16076 1 141 . 1 1 38 38 TYR N N 15 118.246 0.3 . 1 . . . . . 128 TYR N . 16076 1 142 . 1 1 39 39 MET H H 1 9.139 0.020 . 1 . . . . . 129 MET H . 16076 1 143 . 1 1 39 39 MET C C 13 172.942 0.3 . 1 . . . . . 129 MET C . 16076 1 144 . 1 1 39 39 MET CA C 13 53.242 0.3 . 1 . . . . . 129 MET CA . 16076 1 145 . 1 1 39 39 MET N N 15 121.729 0.3 . 1 . . . . . 129 MET N . 16076 1 146 . 1 1 40 40 LEU H H 1 8.068 0.020 . 1 . . . . . 130 LEU H . 16076 1 147 . 1 1 40 40 LEU C C 13 178.143 0.3 . 1 . . . . . 130 LEU C . 16076 1 148 . 1 1 40 40 LEU CA C 13 52.784 0.3 . 1 . . . . . 130 LEU CA . 16076 1 149 . 1 1 40 40 LEU N N 15 121.435 0.3 . 1 . . . . . 130 LEU N . 16076 1 150 . 1 1 41 41 GLY H H 1 9.435 0.020 . 1 . . . . . 131 GLY H . 16076 1 151 . 1 1 41 41 GLY C C 13 172.788 0.3 . 1 . . . . . 131 GLY C . 16076 1 152 . 1 1 41 41 GLY CA C 13 44.558 0.3 . 1 . . . . . 131 GLY CA . 16076 1 153 . 1 1 41 41 GLY N N 15 115.480 0.3 . 1 . . . . . 131 GLY N . 16076 1 154 . 1 1 42 42 SER H H 1 8.347 0.020 . 1 . . . . . 132 SER H . 16076 1 155 . 1 1 42 42 SER C C 13 174.946 0.3 . 1 . . . . . 132 SER C . 16076 1 156 . 1 1 42 42 SER CA C 13 58.170 0.3 . 1 . . . . . 132 SER CA . 16076 1 157 . 1 1 42 42 SER N N 15 113.999 0.3 . 1 . . . . . 132 SER N . 16076 1 158 . 1 1 43 43 ALA H H 1 8.753 0.020 . 1 . . . . . 133 ALA H . 16076 1 159 . 1 1 43 43 ALA C C 13 177.508 0.3 . 1 . . . . . 133 ALA C . 16076 1 160 . 1 1 43 43 ALA CA C 13 52.539 0.3 . 1 . . . . . 133 ALA CA . 16076 1 161 . 1 1 43 43 ALA N N 15 125.799 0.3 . 1 . . . . . 133 ALA N . 16076 1 162 . 1 1 44 44 MET H H 1 8.805 0.020 . 1 . . . . . 134 MET H . 16076 1 163 . 1 1 44 44 MET C C 13 175.593 0.3 . 1 . . . . . 134 MET C . 16076 1 164 . 1 1 44 44 MET CA C 13 53.523 0.3 . 1 . . . . . 134 MET CA . 16076 1 165 . 1 1 44 44 MET N N 15 121.603 0.3 . 1 . . . . . 134 MET N . 16076 1 166 . 1 1 45 45 SER H H 1 8.469 0.020 . 1 . . . . . 135 SER H . 16076 1 167 . 1 1 45 45 SER C C 13 174.426 0.3 . 1 . . . . . 135 SER C . 16076 1 168 . 1 1 45 45 SER CA C 13 58.208 0.3 . 1 . . . . . 135 SER CA . 16076 1 169 . 1 1 45 45 SER N N 15 116.482 0.3 . 1 . . . . . 135 SER N . 16076 1 170 . 1 1 46 46 ARG H H 1 8.706 0.020 . 1 . . . . . 136 ARG H . 16076 1 171 . 1 1 46 46 ARG C C 13 174.643 0.3 . 1 . . . . . 136 ARG C . 16076 1 172 . 1 1 46 46 ARG CA C 13 54.412 0.3 . 1 . . . . . 136 ARG CA . 16076 1 173 . 1 1 46 46 ARG N N 15 127.086 0.3 . 1 . . . . . 136 ARG N . 16076 1 174 . 1 1 47 47 PRO C C 13 175.656 0.3 . 1 . . . . . 137 PRO C . 16076 1 175 . 1 1 47 47 PRO CA C 13 61.990 0.3 . 1 . . . . . 137 PRO CA . 16076 1 176 . 1 1 48 48 MET H H 1 8.725 0.020 . 1 . . . . . 138 MET H . 16076 1 177 . 1 1 48 48 MET C C 13 174.997 0.3 . 1 . . . . . 138 MET C . 16076 1 178 . 1 1 48 48 MET CA C 13 53.709 0.3 . 1 . . . . . 138 MET CA . 16076 1 179 . 1 1 48 48 MET N N 15 122.177 0.3 . 1 . . . . . 138 MET N . 16076 1 180 . 1 1 49 49 ILE H H 1 6.583 0.020 . 1 . . . . . 139 ILE H . 16076 1 181 . 1 1 49 49 ILE C C 13 173.107 0.3 . 1 . . . . . 139 ILE C . 16076 1 182 . 1 1 49 49 ILE CA C 13 58.811 0.3 . 1 . . . . . 139 ILE CA . 16076 1 183 . 1 1 49 49 ILE N N 15 124.646 0.3 . 1 . . . . . 139 ILE N . 16076 1 184 . 1 1 50 50 HIS H H 1 8.123 0.020 . 1 . . . . . 140 HIS H . 16076 1 185 . 1 1 50 50 HIS C C 13 175.289 0.3 . 1 . . . . . 140 HIS C . 16076 1 186 . 1 1 50 50 HIS CA C 13 54.386 0.3 . 1 . . . . . 140 HIS CA . 16076 1 187 . 1 1 50 50 HIS N N 15 123.257 0.3 . 1 . . . . . 140 HIS N . 16076 1 188 . 1 1 51 51 PHE H H 1 10.377 0.020 . 1 . . . . . 141 PHE H . 16076 1 189 . 1 1 51 51 PHE C C 13 177.085 0.3 . 1 . . . . . 141 PHE C . 16076 1 190 . 1 1 51 51 PHE CA C 13 59.232 0.3 . 1 . . . . . 141 PHE CA . 16076 1 191 . 1 1 51 51 PHE N N 15 125.395 0.3 . 1 . . . . . 141 PHE N . 16076 1 192 . 1 1 52 52 GLY H H 1 8.948 0.020 . 1 . . . . . 142 GLY H . 16076 1 193 . 1 1 52 52 GLY C C 13 173.221 0.3 . 1 . . . . . 142 GLY C . 16076 1 194 . 1 1 52 52 GLY CA C 13 45.354 0.3 . 1 . . . . . 142 GLY CA . 16076 1 195 . 1 1 52 52 GLY N N 15 109.359 0.3 . 1 . . . . . 142 GLY N . 16076 1 196 . 1 1 53 53 ASN H H 1 7.256 0.020 . 1 . . . . . 143 ASN H . 16076 1 197 . 1 1 53 53 ASN C C 13 174.325 0.3 . 1 . . . . . 143 ASN C . 16076 1 198 . 1 1 53 53 ASN CA C 13 52.137 0.3 . 1 . . . . . 143 ASN CA . 16076 1 199 . 1 1 53 53 ASN N N 15 114.522 0.3 . 1 . . . . . 143 ASN N . 16076 1 200 . 1 1 54 54 ASP H H 1 9.029 0.020 . 1 . . . . . 144 ASP H . 16076 1 201 . 1 1 54 54 ASP C C 13 177.902 0.3 . 1 . . . . . 144 ASP C . 16076 1 202 . 1 1 54 54 ASP CA C 13 57.541 0.3 . 1 . . . . . 144 ASP CA . 16076 1 203 . 1 1 54 54 ASP N N 15 123.490 0.3 . 1 . . . . . 144 ASP N . 16076 1 204 . 1 1 55 55 TRP H H 1 8.563 0.020 . 1 . . . . . 145 TRP H . 16076 1 205 . 1 1 55 55 TRP C C 13 179.122 0.3 . 1 . . . . . 145 TRP C . 16076 1 206 . 1 1 55 55 TRP CA C 13 61.496 0.3 . 1 . . . . . 145 TRP CA . 16076 1 207 . 1 1 55 55 TRP N N 15 120.558 0.3 . 1 . . . . . 145 TRP N . 16076 1 208 . 1 1 56 56 GLU H H 1 8.137 0.020 . 1 . . . . . 146 GLU H . 16076 1 209 . 1 1 56 56 GLU C C 13 177.699 0.3 . 1 . . . . . 146 GLU C . 16076 1 210 . 1 1 56 56 GLU CA C 13 59.605 0.3 . 1 . . . . . 146 GLU CA . 16076 1 211 . 1 1 56 56 GLU N N 15 120.796 0.3 . 1 . . . . . 146 GLU N . 16076 1 212 . 1 1 57 57 ASP H H 1 7.917 0.020 . 1 . . . . . 147 ASP H . 16076 1 213 . 1 1 57 57 ASP C C 13 179.038 0.3 . 1 . . . . . 147 ASP C . 16076 1 214 . 1 1 57 57 ASP CA C 13 58.219 0.3 . 1 . . . . . 147 ASP CA . 16076 1 215 . 1 1 57 57 ASP N N 15 119.066 0.3 . 1 . . . . . 147 ASP N . 16076 1 216 . 1 1 58 58 ARG H H 1 8.037 0.020 . 1 . . . . . 148 ARG H . 16076 1 217 . 1 1 58 58 ARG C C 13 177.597 0.3 . 1 . . . . . 148 ARG C . 16076 1 218 . 1 1 58 58 ARG CA C 13 59.369 0.3 . 1 . . . . . 148 ARG CA . 16076 1 219 . 1 1 58 58 ARG N N 15 119.975 0.3 . 1 . . . . . 148 ARG N . 16076 1 220 . 1 1 59 59 TYR H H 1 8.263 0.020 . 1 . . . . . 149 TYR H . 16076 1 221 . 1 1 59 59 TYR C C 13 179.569 0.3 . 1 . . . . . 149 TYR C . 16076 1 222 . 1 1 59 59 TYR CA C 13 61.792 0.3 . 1 . . . . . 149 TYR CA . 16076 1 223 . 1 1 59 59 TYR N N 15 121.098 0.3 . 1 . . . . . 149 TYR N . 16076 1 224 . 1 1 60 60 TYR H H 1 9.032 0.020 . 1 . . . . . 150 TYR H . 16076 1 225 . 1 1 60 60 TYR C C 13 176.976 0.3 . 1 . . . . . 150 TYR C . 16076 1 226 . 1 1 60 60 TYR CA C 13 62.740 0.3 . 1 . . . . . 150 TYR CA . 16076 1 227 . 1 1 60 60 TYR N N 15 120.754 0.3 . 1 . . . . . 150 TYR N . 16076 1 228 . 1 1 61 61 ARG H H 1 7.889 0.020 . 1 . . . . . 151 ARG H . 16076 1 229 . 1 1 61 61 ARG C C 13 179.119 0.3 . 1 . . . . . 151 ARG C . 16076 1 230 . 1 1 61 61 ARG CA C 13 59.623 0.3 . 1 . . . . . 151 ARG CA . 16076 1 231 . 1 1 61 61 ARG N N 15 117.536 0.3 . 1 . . . . . 151 ARG N . 16076 1 232 . 1 1 62 62 GLU H H 1 7.924 0.020 . 1 . . . . . 152 GLU H . 16076 1 233 . 1 1 62 62 GLU C C 13 177.572 0.3 . 1 . . . . . 152 GLU C . 16076 1 234 . 1 1 62 62 GLU CA C 13 57.497 0.3 . 1 . . . . . 152 GLU CA . 16076 1 235 . 1 1 62 62 GLU N N 15 116.096 0.3 . 1 . . . . . 152 GLU N . 16076 1 236 . 1 1 63 63 ASN H H 1 7.563 0.020 . 1 . . . . . 153 ASN H . 16076 1 237 . 1 1 63 63 ASN C C 13 175.469 0.3 . 1 . . . . . 153 ASN C . 16076 1 238 . 1 1 63 63 ASN CA C 13 54.554 0.3 . 1 . . . . . 153 ASN CA . 16076 1 239 . 1 1 63 63 ASN N N 15 115.424 0.3 . 1 . . . . . 153 ASN N . 16076 1 240 . 1 1 64 64 MET H H 1 7.892 0.020 . 1 . . . . . 154 MET H . 16076 1 241 . 1 1 64 64 MET C C 13 176.316 0.3 . 1 . . . . . 154 MET C . 16076 1 242 . 1 1 64 64 MET CA C 13 58.687 0.3 . 1 . . . . . 154 MET CA . 16076 1 243 . 1 1 64 64 MET N N 15 118.620 0.3 . 1 . . . . . 154 MET N . 16076 1 244 . 1 1 65 65 TYR H H 1 7.597 0.020 . 1 . . . . . 155 TYR H . 16076 1 245 . 1 1 65 65 TYR C C 13 175.889 0.3 . 1 . . . . . 155 TYR C . 16076 1 246 . 1 1 65 65 TYR CA C 13 58.900 0.3 . 1 . . . . . 155 TYR CA . 16076 1 247 . 1 1 65 65 TYR N N 15 116.821 0.3 . 1 . . . . . 155 TYR N . 16076 1 248 . 1 1 66 66 ARG H H 1 7.522 0.020 . 1 . . . . . 156 ARG H . 16076 1 249 . 1 1 66 66 ARG C C 13 176.785 0.3 . 1 . . . . . 156 ARG C . 16076 1 250 . 1 1 66 66 ARG CA C 13 55.869 0.3 . 1 . . . . . 156 ARG CA . 16076 1 251 . 1 1 66 66 ARG N N 15 119.167 0.3 . 1 . . . . . 156 ARG N . 16076 1 252 . 1 1 67 67 TYR H H 1 7.460 0.020 . 1 . . . . . 157 TYR H . 16076 1 253 . 1 1 67 67 TYR C C 13 172.791 0.3 . 1 . . . . . 157 TYR C . 16076 1 254 . 1 1 67 67 TYR CA C 13 52.322 0.3 . 1 . . . . . 157 TYR CA . 16076 1 255 . 1 1 67 67 TYR N N 15 121.714 0.3 . 1 . . . . . 157 TYR N . 16076 1 256 . 1 1 68 68 PRO C C 13 175.025 0.3 . 1 . . . . . 158 PRO C . 16076 1 257 . 1 1 68 68 PRO CA C 13 63.154 0.3 . 1 . . . . . 158 PRO CA . 16076 1 258 . 1 1 69 69 ASN H H 1 8.648 0.020 . 1 . . . . . 159 ASN H . 16076 1 259 . 1 1 69 69 ASN C C 13 172.853 0.3 . 1 . . . . . 159 ASN C . 16076 1 260 . 1 1 69 69 ASN CA C 13 51.612 0.3 . 1 . . . . . 159 ASN CA . 16076 1 261 . 1 1 69 69 ASN N N 15 116.480 0.3 . 1 . . . . . 159 ASN N . 16076 1 262 . 1 1 70 70 GLN H H 1 7.299 0.020 . 1 . . . . . 160 GLN H . 16076 1 263 . 1 1 70 70 GLN C C 13 174.996 0.3 . 1 . . . . . 160 GLN C . 16076 1 264 . 1 1 70 70 GLN CA C 13 53.789 0.3 . 1 . . . . . 160 GLN CA . 16076 1 265 . 1 1 70 70 GLN N N 15 114.502 0.3 . 1 . . . . . 160 GLN N . 16076 1 266 . 1 1 71 71 VAL H H 1 8.480 0.020 . 1 . . . . . 161 VAL H . 16076 1 267 . 1 1 71 71 VAL C C 13 174.122 0.3 . 1 . . . . . 161 VAL C . 16076 1 268 . 1 1 71 71 VAL CA C 13 58.266 0.3 . 1 . . . . . 161 VAL CA . 16076 1 269 . 1 1 71 71 VAL N N 15 113.008 0.3 . 1 . . . . . 161 VAL N . 16076 1 270 . 1 1 72 72 TYR H H 1 8.484 0.020 . 1 . . . . . 162 TYR H . 16076 1 271 . 1 1 72 72 TYR C C 13 174.707 0.3 . 1 . . . . . 162 TYR C . 16076 1 272 . 1 1 72 72 TYR CA C 13 56.717 0.3 . 1 . . . . . 162 TYR CA . 16076 1 273 . 1 1 72 72 TYR N N 15 121.827 0.3 . 1 . . . . . 162 TYR N . 16076 1 274 . 1 1 73 73 TYR H H 1 8.520 0.020 . 1 . . . . . 163 TYR H . 16076 1 275 . 1 1 73 73 TYR C C 13 173.576 0.3 . 1 . . . . . 163 TYR C . 16076 1 276 . 1 1 73 73 TYR CA C 13 55.556 0.3 . 1 . . . . . 163 TYR CA . 16076 1 277 . 1 1 73 73 TYR N N 15 111.235 0.3 . 1 . . . . . 163 TYR N . 16076 1 278 . 1 1 74 74 ARG H H 1 7.951 0.020 . 1 . . . . . 164 ARG H . 16076 1 279 . 1 1 74 74 ARG C C 13 178.149 0.3 . 1 . . . . . 164 ARG C . 16076 1 280 . 1 1 74 74 ARG CA C 13 53.112 0.3 . 1 . . . . . 164 ARG CA . 16076 1 281 . 1 1 74 74 ARG N N 15 120.885 0.3 . 1 . . . . . 164 ARG N . 16076 1 282 . 1 1 80 80 SER CA C 13 58.497 0.3 . 1 . . . . . 170 SER CA . 16076 1 283 . 1 1 81 81 ASN C C 13 174.000 0.3 . 1 . . . . . 171 ASN C . 16076 1 284 . 1 1 81 81 ASN CA C 13 51.957 0.3 . 1 . . . . . 171 ASN CA . 16076 1 285 . 1 1 82 82 GLN H H 1 8.672 0.020 . 1 . . . . . 172 GLN H . 16076 1 286 . 1 1 82 82 GLN C C 13 176.862 0.3 . 1 . . . . . 172 GLN C . 16076 1 287 . 1 1 82 82 GLN CA C 13 58.796 0.3 . 1 . . . . . 172 GLN CA . 16076 1 288 . 1 1 82 82 GLN N N 15 120.198 0.3 . 1 . . . . . 172 GLN N . 16076 1 289 . 1 1 83 83 ASN H H 1 8.425 0.020 . 1 . . . . . 173 ASN H . 16076 1 290 . 1 1 83 83 ASN C C 13 177.703 0.3 . 1 . . . . . 173 ASN C . 16076 1 291 . 1 1 83 83 ASN CA C 13 56.131 0.3 . 1 . . . . . 173 ASN CA . 16076 1 292 . 1 1 83 83 ASN N N 15 117.395 0.3 . 1 . . . . . 173 ASN N . 16076 1 293 . 1 1 84 84 ASN H H 1 8.593 0.020 . 1 . . . . . 174 ASN H . 16076 1 294 . 1 1 84 84 ASN C C 13 177.348 0.3 . 1 . . . . . 174 ASN C . 16076 1 295 . 1 1 84 84 ASN CA C 13 55.716 0.3 . 1 . . . . . 174 ASN CA . 16076 1 296 . 1 1 84 84 ASN N N 15 118.482 0.3 . 1 . . . . . 174 ASN N . 16076 1 297 . 1 1 85 85 PHE C C 13 177.506 0.3 . 1 . . . . . 175 PHE C . 16076 1 298 . 1 1 85 85 PHE CA C 13 60.445 0.3 . 1 . . . . . 175 PHE CA . 16076 1 299 . 1 1 86 86 VAL H H 1 8.903 0.020 . 1 . . . . . 176 VAL H . 16076 1 300 . 1 1 86 86 VAL C C 13 176.678 0.3 . 1 . . . . . 176 VAL C . 16076 1 301 . 1 1 86 86 VAL CA C 13 67.350 0.3 . 1 . . . . . 176 VAL CA . 16076 1 302 . 1 1 86 86 VAL N N 15 120.611 0.3 . 1 . . . . . 176 VAL N . 16076 1 303 . 1 1 87 87 HIS H H 1 8.381 0.020 . 1 . . . . . 177 HIS H . 16076 1 304 . 1 1 87 87 HIS C C 13 177.598 0.3 . 1 . . . . . 177 HIS C . 16076 1 305 . 1 1 87 87 HIS CA C 13 59.522 0.3 . 1 . . . . . 177 HIS CA . 16076 1 306 . 1 1 87 87 HIS N N 15 117.907 0.3 . 1 . . . . . 177 HIS N . 16076 1 307 . 1 1 88 88 ASP H H 1 7.431 0.020 . 1 . . . . . 178 ASP H . 16076 1 308 . 1 1 88 88 ASP C C 13 175.850 0.3 . 1 . . . . . 178 ASP C . 16076 1 309 . 1 1 88 88 ASP CA C 13 56.783 0.3 . 1 . . . . . 178 ASP CA . 16076 1 310 . 1 1 88 88 ASP N N 15 118.318 0.3 . 1 . . . . . 178 ASP N . 16076 1 311 . 1 1 89 89 CYS H H 1 8.164 0.020 . 1 . . . . . 179 CYS H . 16076 1 312 . 1 1 89 89 CYS C C 13 177.519 0.3 . 1 . . . . . 179 CYS C . 16076 1 313 . 1 1 89 89 CYS CA C 13 58.334 0.3 . 1 . . . . . 179 CYS CA . 16076 1 314 . 1 1 89 89 CYS N N 15 119.164 0.3 . 1 . . . . . 179 CYS N . 16076 1 315 . 1 1 90 90 VAL H H 1 9.303 0.020 . 1 . . . . . 180 VAL H . 16076 1 316 . 1 1 90 90 VAL C C 13 177.243 0.3 . 1 . . . . . 180 VAL C . 16076 1 317 . 1 1 90 90 VAL CA C 13 65.743 0.3 . 1 . . . . . 180 VAL CA . 16076 1 318 . 1 1 90 90 VAL N N 15 125.178 0.3 . 1 . . . . . 180 VAL N . 16076 1 319 . 1 1 91 91 ASN H H 1 7.602 0.020 . 1 . . . . . 181 ASN H . 16076 1 320 . 1 1 91 91 ASN C C 13 178.478 0.3 . 1 . . . . . 181 ASN C . 16076 1 321 . 1 1 91 91 ASN CA C 13 56.380 0.3 . 1 . . . . . 181 ASN CA . 16076 1 322 . 1 1 91 91 ASN N N 15 116.544 0.3 . 1 . . . . . 181 ASN N . 16076 1 323 . 1 1 92 92 ILE H H 1 8.805 0.020 . 1 . . . . . 182 ILE H . 16076 1 324 . 1 1 92 92 ILE C C 13 177.965 0.3 . 1 . . . . . 182 ILE C . 16076 1 325 . 1 1 92 92 ILE CA C 13 61.736 0.3 . 1 . . . . . 182 ILE CA . 16076 1 326 . 1 1 92 92 ILE N N 15 119.190 0.3 . 1 . . . . . 182 ILE N . 16076 1 327 . 1 1 93 93 THR H H 1 8.169 0.020 . 1 . . . . . 183 THR H . 16076 1 328 . 1 1 93 93 THR C C 13 177.676 0.3 . 1 . . . . . 183 THR C . 16076 1 329 . 1 1 93 93 THR CA C 13 68.146 0.3 . 1 . . . . . 183 THR CA . 16076 1 330 . 1 1 93 93 THR N N 15 118.249 0.3 . 1 . . . . . 183 THR N . 16076 1 331 . 1 1 94 94 ILE H H 1 8.481 0.020 . 1 . . . . . 184 ILE H . 16076 1 332 . 1 1 94 94 ILE C C 13 178.820 0.3 . 1 . . . . . 184 ILE C . 16076 1 333 . 1 1 94 94 ILE CA C 13 66.201 0.3 . 1 . . . . . 184 ILE CA . 16076 1 334 . 1 1 94 94 ILE N N 15 121.317 0.3 . 1 . . . . . 184 ILE N . 16076 1 335 . 1 1 95 95 LYS H H 1 8.150 0.020 . 1 . . . . . 185 LYS H . 16076 1 336 . 1 1 95 95 LYS C C 13 179.030 0.3 . 1 . . . . . 185 LYS C . 16076 1 337 . 1 1 95 95 LYS CA C 13 59.835 0.3 . 1 . . . . . 185 LYS CA . 16076 1 338 . 1 1 95 95 LYS N N 15 123.761 0.3 . 1 . . . . . 185 LYS N . 16076 1 339 . 1 1 96 96 GLN H H 1 8.556 0.020 . 1 . . . . . 186 GLN H . 16076 1 340 . 1 1 96 96 GLN C C 13 178.649 0.3 . 1 . . . . . 186 GLN C . 16076 1 341 . 1 1 96 96 GLN CA C 13 57.734 0.3 . 1 . . . . . 186 GLN CA . 16076 1 342 . 1 1 96 96 GLN N N 15 117.396 0.3 . 1 . . . . . 186 GLN N . 16076 1 343 . 1 1 97 97 HIS H H 1 8.520 0.020 . 1 . . . . . 187 HIS H . 16076 1 344 . 1 1 97 97 HIS C C 13 178.754 0.3 . 1 . . . . . 187 HIS C . 16076 1 345 . 1 1 97 97 HIS CA C 13 59.502 0.3 . 1 . . . . . 187 HIS CA . 16076 1 346 . 1 1 97 97 HIS N N 15 120.416 0.3 . 1 . . . . . 187 HIS N . 16076 1 347 . 1 1 98 98 THR H H 1 8.533 0.020 . 1 . . . . . 188 THR H . 16076 1 348 . 1 1 98 98 THR C C 13 176.494 0.3 . 1 . . . . . 188 THR C . 16076 1 349 . 1 1 98 98 THR CA C 13 66.445 0.3 . 1 . . . . . 188 THR CA . 16076 1 350 . 1 1 98 98 THR N N 15 115.461 0.3 . 1 . . . . . 188 THR N . 16076 1 351 . 1 1 99 99 VAL H H 1 8.105 0.020 . 1 . . . . . 189 VAL H . 16076 1 352 . 1 1 99 99 VAL C C 13 178.557 0.3 . 1 . . . . . 189 VAL C . 16076 1 353 . 1 1 99 99 VAL CA C 13 65.964 0.3 . 1 . . . . . 189 VAL CA . 16076 1 354 . 1 1 99 99 VAL N N 15 123.510 0.3 . 1 . . . . . 189 VAL N . 16076 1 355 . 1 1 100 100 THR H H 1 8.220 0.020 . 1 . . . . . 190 THR H . 16076 1 356 . 1 1 100 100 THR C C 13 176.757 0.3 . 1 . . . . . 190 THR C . 16076 1 357 . 1 1 100 100 THR CA C 13 65.138 0.3 . 1 . . . . . 190 THR CA . 16076 1 358 . 1 1 100 100 THR N N 15 115.553 0.3 . 1 . . . . . 190 THR N . 16076 1 359 . 1 1 101 101 THR H H 1 8.055 0.020 . 1 . . . . . 191 THR H . 16076 1 360 . 1 1 101 101 THR C C 13 177.138 0.3 . 1 . . . . . 191 THR C . 16076 1 361 . 1 1 101 101 THR CA C 13 65.015 0.3 . 1 . . . . . 191 THR CA . 16076 1 362 . 1 1 101 101 THR N N 15 114.882 0.3 . 1 . . . . . 191 THR N . 16076 1 363 . 1 1 102 102 THR H H 1 8.288 0.020 . 1 . . . . . 192 THR H . 16076 1 364 . 1 1 102 102 THR C C 13 178.005 0.3 . 1 . . . . . 192 THR C . 16076 1 365 . 1 1 102 102 THR CA C 13 65.144 0.3 . 1 . . . . . 192 THR CA . 16076 1 366 . 1 1 102 102 THR N N 15 118.607 0.3 . 1 . . . . . 192 THR N . 16076 1 367 . 1 1 103 103 THR H H 1 7.833 0.020 . 1 . . . . . 193 THR H . 16076 1 368 . 1 1 103 103 THR C C 13 175.140 0.3 . 1 . . . . . 193 THR C . 16076 1 369 . 1 1 103 103 THR CA C 13 64.448 0.3 . 1 . . . . . 193 THR CA . 16076 1 370 . 1 1 103 103 THR N N 15 116.677 0.3 . 1 . . . . . 193 THR N . 16076 1 371 . 1 1 104 104 LYS H H 1 7.468 0.020 . 1 . . . . . 194 LYS H . 16076 1 372 . 1 1 104 104 LYS C C 13 176.704 0.3 . 1 . . . . . 194 LYS C . 16076 1 373 . 1 1 104 104 LYS CA C 13 55.792 0.3 . 1 . . . . . 194 LYS CA . 16076 1 374 . 1 1 104 104 LYS N N 15 119.843 0.3 . 1 . . . . . 194 LYS N . 16076 1 375 . 1 1 105 105 GLY H H 1 7.925 0.020 . 1 . . . . . 195 GLY H . 16076 1 376 . 1 1 105 105 GLY C C 13 174.234 0.3 . 1 . . . . . 195 GLY C . 16076 1 377 . 1 1 105 105 GLY CA C 13 45.135 0.3 . 1 . . . . . 195 GLY CA . 16076 1 378 . 1 1 105 105 GLY N N 15 108.097 0.3 . 1 . . . . . 195 GLY N . 16076 1 379 . 1 1 106 106 GLU H H 1 7.457 0.020 . 1 . . . . . 196 GLU H . 16076 1 380 . 1 1 106 106 GLU C C 13 174.891 0.3 . 1 . . . . . 196 GLU C . 16076 1 381 . 1 1 106 106 GLU CA C 13 55.244 0.3 . 1 . . . . . 196 GLU CA . 16076 1 382 . 1 1 106 106 GLU N N 15 120.439 0.3 . 1 . . . . . 196 GLU N . 16076 1 383 . 1 1 107 107 ASN H H 1 8.563 0.020 . 1 . . . . . 197 ASN H . 16076 1 384 . 1 1 107 107 ASN C C 13 173.577 0.3 . 1 . . . . . 197 ASN C . 16076 1 385 . 1 1 107 107 ASN CA C 13 52.420 0.3 . 1 . . . . . 197 ASN CA . 16076 1 386 . 1 1 107 107 ASN N N 15 119.665 0.3 . 1 . . . . . 197 ASN N . 16076 1 387 . 1 1 108 108 PHE H H 1 8.789 0.020 . 1 . . . . . 198 PHE H . 16076 1 388 . 1 1 108 108 PHE C C 13 176.678 0.3 . 1 . . . . . 198 PHE C . 16076 1 389 . 1 1 108 108 PHE CA C 13 56.084 0.3 . 1 . . . . . 198 PHE CA . 16076 1 390 . 1 1 108 108 PHE N N 15 121.994 0.3 . 1 . . . . . 198 PHE N . 16076 1 391 . 1 1 109 109 THR H H 1 9.613 0.020 . 1 . . . . . 199 THR H . 16076 1 392 . 1 1 109 109 THR C C 13 175.456 0.3 . 1 . . . . . 199 THR C . 16076 1 393 . 1 1 109 109 THR CA C 13 60.020 0.3 . 1 . . . . . 199 THR CA . 16076 1 394 . 1 1 109 109 THR N N 15 116.218 0.3 . 1 . . . . . 199 THR N . 16076 1 395 . 1 1 110 110 GLU H H 1 9.212 0.020 . 1 . . . . . 200 GLU H . 16076 1 396 . 1 1 110 110 GLU C C 13 179.240 0.3 . 1 . . . . . 200 GLU C . 16076 1 397 . 1 1 110 110 GLU CA C 13 59.724 0.3 . 1 . . . . . 200 GLU CA . 16076 1 398 . 1 1 110 110 GLU N N 15 120.174 0.3 . 1 . . . . . 200 GLU N . 16076 1 399 . 1 1 111 111 THR H H 1 7.970 0.020 . 1 . . . . . 201 THR H . 16076 1 400 . 1 1 111 111 THR C C 13 175.640 0.3 . 1 . . . . . 201 THR C . 16076 1 401 . 1 1 111 111 THR CA C 13 66.527 0.3 . 1 . . . . . 201 THR CA . 16076 1 402 . 1 1 111 111 THR N N 15 116.886 0.3 . 1 . . . . . 201 THR N . 16076 1 403 . 1 1 112 112 ASP H H 1 7.537 0.020 . 1 . . . . . 202 ASP H . 16076 1 404 . 1 1 112 112 ASP C C 13 177.624 0.3 . 1 . . . . . 202 ASP C . 16076 1 405 . 1 1 112 112 ASP CA C 13 57.645 0.3 . 1 . . . . . 202 ASP CA . 16076 1 406 . 1 1 112 112 ASP N N 15 120.137 0.3 . 1 . . . . . 202 ASP N . 16076 1 407 . 1 1 113 113 VAL H H 1 8.268 0.020 . 1 . . . . . 203 VAL H . 16076 1 408 . 1 1 113 113 VAL C C 13 177.387 0.3 . 1 . . . . . 203 VAL C . 16076 1 409 . 1 1 113 113 VAL CA C 13 67.484 0.3 . 1 . . . . . 203 VAL CA . 16076 1 410 . 1 1 113 113 VAL N N 15 119.923 0.3 . 1 . . . . . 203 VAL N . 16076 1 411 . 1 1 114 114 LYS H H 1 7.699 0.020 . 1 . . . . . 204 LYS H . 16076 1 412 . 1 1 114 114 LYS C C 13 180.042 0.3 . 1 . . . . . 204 LYS C . 16076 1 413 . 1 1 114 114 LYS CA C 13 58.796 0.3 . 1 . . . . . 204 LYS CA . 16076 1 414 . 1 1 114 114 LYS N N 15 119.301 0.3 . 1 . . . . . 204 LYS N . 16076 1 415 . 1 1 115 115 MET H H 1 8.181 0.020 . 1 . . . . . 205 MET H . 16076 1 416 . 1 1 115 115 MET C C 13 178.189 0.3 . 1 . . . . . 205 MET C . 16076 1 417 . 1 1 115 115 MET CA C 13 59.397 0.3 . 1 . . . . . 205 MET CA . 16076 1 418 . 1 1 115 115 MET N N 15 118.651 0.3 . 1 . . . . . 205 MET N . 16076 1 419 . 1 1 116 116 MET H H 1 8.709 0.020 . 1 . . . . . 206 MET H . 16076 1 420 . 1 1 116 116 MET C C 13 177.813 0.3 . 1 . . . . . 206 MET C . 16076 1 421 . 1 1 116 116 MET CA C 13 59.682 0.3 . 1 . . . . . 206 MET CA . 16076 1 422 . 1 1 116 116 MET N N 15 118.450 0.3 . 1 . . . . . 206 MET N . 16076 1 423 . 1 1 117 117 GLU H H 1 8.587 0.020 . 1 . . . . . 207 GLU H . 16076 1 424 . 1 1 117 117 GLU C C 13 178.728 0.3 . 1 . . . . . 207 GLU C . 16076 1 425 . 1 1 117 117 GLU CA C 13 60.334 0.3 . 1 . . . . . 207 GLU CA . 16076 1 426 . 1 1 117 117 GLU N N 15 119.118 0.3 . 1 . . . . . 207 GLU N . 16076 1 427 . 1 1 118 118 ARG H H 1 7.287 0.020 . 1 . . . . . 208 ARG H . 16076 1 428 . 1 1 118 118 ARG C C 13 179.319 0.3 . 1 . . . . . 208 ARG C . 16076 1 429 . 1 1 118 118 ARG CA C 13 58.076 0.3 . 1 . . . . . 208 ARG CA . 16076 1 430 . 1 1 118 118 ARG N N 15 117.007 0.3 . 1 . . . . . 208 ARG N . 16076 1 431 . 1 1 119 119 VAL H H 1 8.273 0.020 . 1 . . . . . 209 VAL H . 16076 1 432 . 1 1 119 119 VAL C C 13 177.006 0.3 . 1 . . . . . 209 VAL C . 16076 1 433 . 1 1 119 119 VAL CA C 13 65.361 0.3 . 1 . . . . . 209 VAL CA . 16076 1 434 . 1 1 119 119 VAL N N 15 119.326 0.3 . 1 . . . . . 209 VAL N . 16076 1 435 . 1 1 120 120 VAL H H 1 9.172 0.020 . 1 . . . . . 210 VAL H . 16076 1 436 . 1 1 120 120 VAL C C 13 177.571 0.3 . 1 . . . . . 210 VAL C . 16076 1 437 . 1 1 120 120 VAL CA C 13 66.015 0.3 . 1 . . . . . 210 VAL CA . 16076 1 438 . 1 1 120 120 VAL N N 15 121.593 0.3 . 1 . . . . . 210 VAL N . 16076 1 439 . 1 1 121 121 GLU H H 1 8.011 0.020 . 1 . . . . . 211 GLU H . 16076 1 440 . 1 1 121 121 GLU C C 13 177.519 0.3 . 1 . . . . . 211 GLU C . 16076 1 441 . 1 1 121 121 GLU CA C 13 60.857 0.3 . 1 . . . . . 211 GLU CA . 16076 1 442 . 1 1 121 121 GLU N N 15 120.957 0.3 . 1 . . . . . 211 GLU N . 16076 1 443 . 1 1 122 122 GLN H H 1 7.085 0.020 . 1 . . . . . 212 GLN H . 16076 1 444 . 1 1 122 122 GLN C C 13 179.174 0.3 . 1 . . . . . 212 GLN C . 16076 1 445 . 1 1 122 122 GLN CA C 13 58.793 0.3 . 1 . . . . . 212 GLN CA . 16076 1 446 . 1 1 122 122 GLN N N 15 115.478 0.3 . 1 . . . . . 212 GLN N . 16076 1 447 . 1 1 123 123 MET H H 1 8.129 0.020 . 1 . . . . . 213 MET H . 16076 1 448 . 1 1 123 123 MET C C 13 178.544 0.3 . 1 . . . . . 213 MET C . 16076 1 449 . 1 1 123 123 MET CA C 13 59.592 0.3 . 1 . . . . . 213 MET CA . 16076 1 450 . 1 1 123 123 MET N N 15 119.602 0.3 . 1 . . . . . 213 MET N . 16076 1 451 . 1 1 124 124 CYS H H 1 9.236 0.020 . 1 . . . . . 214 CYS H . 16076 1 452 . 1 1 124 124 CYS C C 13 176.901 0.3 . 1 . . . . . 214 CYS C . 16076 1 453 . 1 1 124 124 CYS CA C 13 59.733 0.3 . 1 . . . . . 214 CYS CA . 16076 1 454 . 1 1 124 124 CYS N N 15 119.706 0.3 . 1 . . . . . 214 CYS N . 16076 1 455 . 1 1 125 125 VAL H H 1 8.510 0.020 . 1 . . . . . 215 VAL H . 16076 1 456 . 1 1 125 125 VAL C C 13 178.044 0.3 . 1 . . . . . 215 VAL C . 16076 1 457 . 1 1 125 125 VAL CA C 13 67.388 0.3 . 1 . . . . . 215 VAL CA . 16076 1 458 . 1 1 125 125 VAL N N 15 123.899 0.3 . 1 . . . . . 215 VAL N . 16076 1 459 . 1 1 126 126 THR H H 1 8.128 0.020 . 1 . . . . . 216 THR H . 16076 1 460 . 1 1 126 126 THR C C 13 176.692 0.3 . 1 . . . . . 216 THR C . 16076 1 461 . 1 1 126 126 THR CA C 13 66.668 0.3 . 1 . . . . . 216 THR CA . 16076 1 462 . 1 1 126 126 THR N N 15 118.374 0.3 . 1 . . . . . 216 THR N . 16076 1 463 . 1 1 127 127 GLN H H 1 8.732 0.020 . 1 . . . . . 217 GLN H . 16076 1 464 . 1 1 127 127 GLN C C 13 177.421 0.3 . 1 . . . . . 217 GLN C . 16076 1 465 . 1 1 127 127 GLN CA C 13 58.308 0.3 . 1 . . . . . 217 GLN CA . 16076 1 466 . 1 1 127 127 GLN N N 15 122.857 0.3 . 1 . . . . . 217 GLN N . 16076 1 467 . 1 1 128 128 TYR H H 1 8.625 0.020 . 1 . . . . . 218 TYR H . 16076 1 468 . 1 1 128 128 TYR C C 13 178.018 0.3 . 1 . . . . . 218 TYR C . 16076 1 469 . 1 1 128 128 TYR CA C 13 61.627 0.3 . 1 . . . . . 218 TYR CA . 16076 1 470 . 1 1 128 128 TYR N N 15 120.470 0.3 . 1 . . . . . 218 TYR N . 16076 1 471 . 1 1 129 129 GLN H H 1 8.253 0.020 . 1 . . . . . 219 GLN H . 16076 1 472 . 1 1 129 129 GLN C C 13 178.556 0.3 . 1 . . . . . 219 GLN C . 16076 1 473 . 1 1 129 129 GLN CA C 13 58.690 0.3 . 1 . . . . . 219 GLN CA . 16076 1 474 . 1 1 129 129 GLN N N 15 119.889 0.3 . 1 . . . . . 219 GLN N . 16076 1 475 . 1 1 130 130 LYS H H 1 7.873 0.020 . 1 . . . . . 220 LYS H . 16076 1 476 . 1 1 130 130 LYS C C 13 179.778 0.3 . 1 . . . . . 220 LYS C . 16076 1 477 . 1 1 130 130 LYS CA C 13 59.000 0.3 . 1 . . . . . 220 LYS CA . 16076 1 478 . 1 1 130 130 LYS N N 15 119.649 0.3 . 1 . . . . . 220 LYS N . 16076 1 479 . 1 1 131 131 GLU H H 1 8.440 0.020 . 1 . . . . . 221 GLU H . 16076 1 480 . 1 1 131 131 GLU C C 13 179.214 0.3 . 1 . . . . . 221 GLU C . 16076 1 481 . 1 1 131 131 GLU CA C 13 57.489 0.3 . 1 . . . . . 221 GLU CA . 16076 1 482 . 1 1 131 131 GLU N N 15 118.562 0.3 . 1 . . . . . 221 GLU N . 16076 1 483 . 1 1 132 132 SER H H 1 8.425 0.020 . 1 . . . . . 222 SER H . 16076 1 484 . 1 1 132 132 SER C C 13 175.640 0.3 . 1 . . . . . 222 SER C . 16076 1 485 . 1 1 132 132 SER CA C 13 60.796 0.3 . 1 . . . . . 222 SER CA . 16076 1 486 . 1 1 132 132 SER N N 15 115.426 0.3 . 1 . . . . . 222 SER N . 16076 1 487 . 1 1 133 133 GLN H H 1 7.606 0.020 . 1 . . . . . 223 GLN H . 16076 1 488 . 1 1 133 133 GLN C C 13 177.164 0.3 . 1 . . . . . 223 GLN C . 16076 1 489 . 1 1 133 133 GLN CA C 13 57.737 0.3 . 1 . . . . . 223 GLN CA . 16076 1 490 . 1 1 133 133 GLN N N 15 120.976 0.3 . 1 . . . . . 223 GLN N . 16076 1 491 . 1 1 134 134 ALA H H 1 7.607 0.020 . 1 . . . . . 224 ALA H . 16076 1 492 . 1 1 134 134 ALA C C 13 178.964 0.3 . 1 . . . . . 224 ALA C . 16076 1 493 . 1 1 134 134 ALA CA C 13 53.711 0.3 . 1 . . . . . 224 ALA CA . 16076 1 494 . 1 1 134 134 ALA N N 15 120.917 0.3 . 1 . . . . . 224 ALA N . 16076 1 495 . 1 1 135 135 TYR H H 1 7.945 0.020 . 1 . . . . . 225 TYR H . 16076 1 496 . 1 1 135 135 TYR C C 13 177.164 0.3 . 1 . . . . . 225 TYR C . 16076 1 497 . 1 1 135 135 TYR CA C 13 59.579 0.3 . 1 . . . . . 225 TYR CA . 16076 1 498 . 1 1 135 135 TYR N N 15 119.382 0.3 . 1 . . . . . 225 TYR N . 16076 1 499 . 1 1 136 136 TYR H H 1 8.058 0.020 . 1 . . . . . 226 TYR H . 16076 1 500 . 1 1 136 136 TYR C C 13 176.887 0.3 . 1 . . . . . 226 TYR C . 16076 1 501 . 1 1 136 136 TYR CA C 13 59.377 0.3 . 1 . . . . . 226 TYR CA . 16076 1 502 . 1 1 136 136 TYR N N 15 119.886 0.3 . 1 . . . . . 226 TYR N . 16076 1 503 . 1 1 137 137 ASP H H 1 8.250 0.020 . 1 . . . . . 227 ASP H . 16076 1 504 . 1 1 137 137 ASP C C 13 177.243 0.3 . 1 . . . . . 227 ASP C . 16076 1 505 . 1 1 137 137 ASP CA C 13 54.903 0.3 . 1 . . . . . 227 ASP CA . 16076 1 506 . 1 1 137 137 ASP N N 15 121.202 0.3 . 1 . . . . . 227 ASP N . 16076 1 507 . 1 1 138 138 GLY H H 1 7.862 0.020 . 1 . . . . . 228 GLY H . 16076 1 508 . 1 1 138 138 GLY C C 13 174.431 0.3 . 1 . . . . . 228 GLY C . 16076 1 509 . 1 1 138 138 GLY CA C 13 45.250 0.3 . 1 . . . . . 228 GLY CA . 16076 1 510 . 1 1 138 138 GLY N N 15 108.176 0.3 . 1 . . . . . 228 GLY N . 16076 1 511 . 1 1 139 139 ARG H H 1 7.844 0.020 . 1 . . . . . 229 ARG H . 16076 1 512 . 1 1 139 139 ARG C C 13 176.205 0.3 . 1 . . . . . 229 ARG C . 16076 1 513 . 1 1 139 139 ARG CA C 13 55.787 0.3 . 1 . . . . . 229 ARG CA . 16076 1 514 . 1 1 139 139 ARG N N 15 120.252 0.3 . 1 . . . . . 229 ARG N . 16076 1 515 . 1 1 140 140 ARG H H 1 8.253 0.020 . 1 . . . . . 230 ARG H . 16076 1 516 . 1 1 140 140 ARG C C 13 175.471 0.3 . 1 . . . . . 230 ARG C . 16076 1 517 . 1 1 140 140 ARG CA C 13 55.559 0.3 . 1 . . . . . 230 ARG CA . 16076 1 518 . 1 1 140 140 ARG N N 15 122.740 0.3 . 1 . . . . . 230 ARG N . 16076 1 519 . 1 1 141 141 SER H H 1 8.010 0.020 . 1 . . . . . 231 SER H . 16076 1 520 . 1 1 141 141 SER C C 13 178.635 0.3 . 1 . . . . . 231 SER C . 16076 1 521 . 1 1 141 141 SER CA C 13 59.611 0.3 . 1 . . . . . 231 SER CA . 16076 1 522 . 1 1 141 141 SER N N 15 123.000 0.3 . 1 . . . . . 231 SER N . 16076 1 stop_ save_