################################### # 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 16078 _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' . . . 16078 1 3 '3D HNCO' . . . 16078 1 4 '3D HNCA' . . . 16078 1 5 '3D HN(CA)CO' . . . 16078 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 . . 16078 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 GLY H H 1 8.317 0.020 . 1 . . . . . 90 GLY H . 16078 1 2 . 1 1 1 1 GLY C C 13 174.256 0.3 . 1 . . . . . 90 GLY C . 16078 1 3 . 1 1 1 1 GLY CA C 13 44.902 0.3 . 1 . . . . . 90 GLY CA . 16078 1 4 . 1 1 1 1 GLY N N 15 109.327 0.3 . 1 . . . . . 90 GLY N . 16078 1 5 . 1 1 2 2 GLN H H 1 8.363 0.020 . 1 . . . . . 91 GLN H . 16078 1 6 . 1 1 2 2 GLN C C 13 176.690 0.3 . 1 . . . . . 91 GLN C . 16078 1 7 . 1 1 2 2 GLN CA C 13 55.533 0.3 . 1 . . . . . 91 GLN CA . 16078 1 8 . 1 1 2 2 GLN N N 15 120.233 0.3 . 1 . . . . . 91 GLN N . 16078 1 9 . 1 1 3 3 GLY H H 1 8.595 0.020 . 1 . . . . . 92 GLY H . 16078 1 10 . 1 1 3 3 GLY C C 13 174.766 0.3 . 1 . . . . . 92 GLY C . 16078 1 11 . 1 1 3 3 GLY CA C 13 44.921 0.3 . 1 . . . . . 92 GLY CA . 16078 1 12 . 1 1 3 3 GLY N N 15 110.765 0.3 . 1 . . . . . 92 GLY N . 16078 1 13 . 1 1 4 4 GLY H H 1 8.373 0.020 . 1 . . . . . 93 GLY H . 16078 1 14 . 1 1 4 4 GLY C C 13 174.648 0.3 . 1 . . . . . 93 GLY C . 16078 1 15 . 1 1 4 4 GLY CA C 13 44.837 0.3 . 1 . . . . . 93 GLY CA . 16078 1 16 . 1 1 4 4 GLY N N 15 109.186 0.3 . 1 . . . . . 93 GLY N . 16078 1 17 . 1 1 5 5 GLY H H 1 8.387 0.020 . 1 . . . . . 94 GLY H . 16078 1 18 . 1 1 5 5 GLY C C 13 174.519 0.3 . 1 . . . . . 94 GLY C . 16078 1 19 . 1 1 5 5 GLY CA C 13 44.783 0.3 . 1 . . . . . 94 GLY CA . 16078 1 20 . 1 1 5 5 GLY N N 15 109.051 0.3 . 1 . . . . . 94 GLY N . 16078 1 21 . 1 1 6 6 THR H H 1 8.165 0.020 . 1 . . . . . 95 THR H . 16078 1 22 . 1 1 6 6 THR CA C 13 61.597 0.3 . 1 . . . . . 95 THR CA . 16078 1 23 . 1 1 6 6 THR N N 15 113.632 0.3 . 1 . . . . . 95 THR N . 16078 1 24 . 1 1 8 8 ASN C C 13 175.191 0.3 . 1 . . . . . 97 ASN C . 16078 1 25 . 1 1 8 8 ASN CA C 13 52.782 0.3 . 1 . . . . . 97 ASN CA . 16078 1 26 . 1 1 9 9 GLN H H 1 8.373 0.020 . 1 . . . . . 98 GLN H . 16078 1 27 . 1 1 9 9 GLN C C 13 175.748 0.3 . 1 . . . . . 98 GLN C . 16078 1 28 . 1 1 9 9 GLN CA C 13 55.795 0.3 . 1 . . . . . 98 GLN CA . 16078 1 29 . 1 1 9 9 GLN N N 15 120.492 0.3 . 1 . . . . . 98 GLN N . 16078 1 30 . 1 1 10 10 TRP H H 1 8.090 0.020 . 1 . . . . . 99 TRP H . 16078 1 31 . 1 1 10 10 TRP C C 13 175.852 0.3 . 1 . . . . . 99 TRP C . 16078 1 32 . 1 1 10 10 TRP CA C 13 56.761 0.3 . 1 . . . . . 99 TRP CA . 16078 1 33 . 1 1 10 10 TRP N N 15 121.268 0.3 . 1 . . . . . 99 TRP N . 16078 1 34 . 1 1 11 11 ASN H H 1 8.082 0.020 . 1 . . . . . 100 ASN H . 16078 1 35 . 1 1 11 11 ASN C C 13 174.334 0.3 . 1 . . . . . 100 ASN C . 16078 1 36 . 1 1 11 11 ASN CA C 13 52.396 0.3 . 1 . . . . . 100 ASN CA . 16078 1 37 . 1 1 11 11 ASN N N 15 120.247 0.3 . 1 . . . . . 100 ASN N . 16078 1 38 . 1 1 12 12 LYS H H 1 8.027 0.020 . 1 . . . . . 101 LYS H . 16078 1 39 . 1 1 12 12 LYS C C 13 178.660 0.3 . 1 . . . . . 101 LYS C . 16078 1 40 . 1 1 12 12 LYS CA C 13 53.739 0.3 . 1 . . . . . 101 LYS CA . 16078 1 41 . 1 1 12 12 LYS N N 15 122.790 0.3 . 1 . . . . . 101 LYS N . 16078 1 42 . 1 1 13 13 PRO C C 13 176.950 0.3 . 1 . . . . . 102 PRO C . 16078 1 43 . 1 1 13 13 PRO CA C 13 62.640 0.3 . 1 . . . . . 102 PRO CA . 16078 1 44 . 1 1 14 14 SER H H 1 8.480 0.020 . 1 . . . . . 103 SER H . 16078 1 45 . 1 1 14 14 SER C C 13 174.151 0.3 . 1 . . . . . 103 SER C . 16078 1 46 . 1 1 14 14 SER CA C 13 57.690 0.3 . 1 . . . . . 103 SER CA . 16078 1 47 . 1 1 14 14 SER N N 15 117.211 0.3 . 1 . . . . . 103 SER N . 16078 1 48 . 1 1 15 15 LYS H H 1 8.376 0.020 . 1 . . . . . 104 LYS H . 16078 1 49 . 1 1 15 15 LYS C C 13 174.434 0.3 . 1 . . . . . 104 LYS C . 16078 1 50 . 1 1 15 15 LYS CA C 13 53.769 0.3 . 1 . . . . . 104 LYS CA . 16078 1 51 . 1 1 15 15 LYS N N 15 124.501 0.3 . 1 . . . . . 104 LYS N . 16078 1 52 . 1 1 16 16 PRO C C 13 176.839 0.3 . 1 . . . . . 105 PRO C . 16078 1 53 . 1 1 16 16 PRO CA C 13 62.543 0.3 . 1 . . . . . 105 PRO CA . 16078 1 54 . 1 1 17 17 LYS H H 1 8.580 0.020 . 1 . . . . . 106 LYS H . 16078 1 55 . 1 1 17 17 LYS C C 13 176.797 0.3 . 1 . . . . . 106 LYS C . 16078 1 56 . 1 1 17 17 LYS CA C 13 55.962 0.3 . 1 . . . . . 106 LYS CA . 16078 1 57 . 1 1 17 17 LYS N N 15 122.443 0.3 . 1 . . . . . 106 LYS N . 16078 1 58 . 1 1 18 18 THR H H 1 8.195 0.020 . 1 . . . . . 107 THR H . 16078 1 59 . 1 1 18 18 THR C C 13 173.872 0.3 . 1 . . . . . 107 THR C . 16078 1 60 . 1 1 18 18 THR CA C 13 61.142 0.3 . 1 . . . . . 107 THR CA . 16078 1 61 . 1 1 18 18 THR N N 15 115.618 0.3 . 1 . . . . . 107 THR N . 16078 1 62 . 1 1 19 19 ASN C C 13 174.988 0.3 . 1 . . . . . 108 ASN C . 16078 1 63 . 1 1 19 19 ASN CA C 13 52.592 0.3 . 1 . . . . . 108 ASN CA . 16078 1 64 . 1 1 20 20 LEU H H 1 8.288 0.020 . 1 . . . . . 109 LEU H . 16078 1 65 . 1 1 20 20 LEU C C 13 177.195 0.3 . 1 . . . . . 109 LEU C . 16078 1 66 . 1 1 20 20 LEU CA C 13 54.787 0.3 . 1 . . . . . 109 LEU CA . 16078 1 67 . 1 1 20 20 LEU N N 15 123.344 0.3 . 1 . . . . . 109 LEU N . 16078 1 68 . 1 1 21 21 LYS H H 1 8.316 0.020 . 1 . . . . . 110 LYS H . 16078 1 69 . 1 1 21 21 LYS C C 13 176.168 0.3 . 1 . . . . . 110 LYS C . 16078 1 70 . 1 1 21 21 LYS CA C 13 55.909 0.3 . 1 . . . . . 110 LYS CA . 16078 1 71 . 1 1 21 21 LYS N N 15 122.041 0.3 . 1 . . . . . 110 LYS N . 16078 1 72 . 1 1 22 22 HIS H H 1 8.282 0.020 . 1 . . . . . 111 HIS H . 16078 1 73 . 1 1 22 22 HIS C C 13 175.224 0.3 . 1 . . . . . 111 HIS C . 16078 1 74 . 1 1 22 22 HIS CA C 13 55.839 0.3 . 1 . . . . . 111 HIS CA . 16078 1 75 . 1 1 22 22 HIS N N 15 121.520 0.3 . 1 . . . . . 111 HIS N . 16078 1 76 . 1 1 23 23 VAL H H 1 8.047 0.020 . 1 . . . . . 112 VAL H . 16078 1 77 . 1 1 23 23 VAL C C 13 175.508 0.3 . 1 . . . . . 112 VAL C . 16078 1 78 . 1 1 23 23 VAL CA C 13 61.509 0.3 . 1 . . . . . 112 VAL CA . 16078 1 79 . 1 1 23 23 VAL N N 15 123.141 0.3 . 1 . . . . . 112 VAL N . 16078 1 80 . 1 1 24 24 ALA H H 1 8.462 0.020 . 1 . . . . . 113 ALA H . 16078 1 81 . 1 1 24 24 ALA C C 13 178.096 0.3 . 1 . . . . . 113 ALA C . 16078 1 82 . 1 1 24 24 ALA CA C 13 52.258 0.3 . 1 . . . . . 113 ALA CA . 16078 1 83 . 1 1 24 24 ALA N N 15 128.548 0.3 . 1 . . . . . 113 ALA N . 16078 1 84 . 1 1 25 25 GLY H H 1 8.412 0.020 . 1 . . . . . 114 GLY H . 16078 1 85 . 1 1 25 25 GLY C C 13 173.682 0.3 . 1 . . . . . 114 GLY C . 16078 1 86 . 1 1 25 25 GLY CA C 13 44.770 0.3 . 1 . . . . . 114 GLY CA . 16078 1 87 . 1 1 25 25 GLY N N 15 108.933 0.3 . 1 . . . . . 114 GLY N . 16078 1 88 . 1 1 26 26 ALA H H 1 8.121 0.020 . 1 . . . . . 115 ALA H . 16078 1 89 . 1 1 26 26 ALA C C 13 177.432 0.3 . 1 . . . . . 115 ALA C . 16078 1 90 . 1 1 26 26 ALA CA C 13 51.847 0.3 . 1 . . . . . 115 ALA CA . 16078 1 91 . 1 1 26 26 ALA N N 15 123.883 0.3 . 1 . . . . . 115 ALA N . 16078 1 92 . 1 1 27 27 ALA H H 1 8.338 0.020 . 1 . . . . . 116 ALA H . 16078 1 93 . 1 1 27 27 ALA C C 13 177.714 0.3 . 1 . . . . . 116 ALA C . 16078 1 94 . 1 1 27 27 ALA CA C 13 51.930 0.3 . 1 . . . . . 116 ALA CA . 16078 1 95 . 1 1 27 27 ALA N N 15 123.787 0.3 . 1 . . . . . 116 ALA N . 16078 1 96 . 1 1 28 28 VAL H H 1 8.116 0.020 . 1 . . . . . 117 VAL H . 16078 1 97 . 1 1 28 28 VAL C C 13 175.932 0.3 . 1 . . . . . 117 VAL C . 16078 1 98 . 1 1 28 28 VAL CA C 13 61.593 0.3 . 1 . . . . . 117 VAL CA . 16078 1 99 . 1 1 28 28 VAL N N 15 119.942 0.3 . 1 . . . . . 117 VAL N . 16078 1 100 . 1 1 29 29 ALA H H 1 8.456 0.020 . 1 . . . . . 118 ALA H . 16078 1 101 . 1 1 29 29 ALA C C 13 178.083 0.3 . 1 . . . . . 118 ALA C . 16078 1 102 . 1 1 29 29 ALA CA C 13 52.240 0.3 . 1 . . . . . 118 ALA CA . 16078 1 103 . 1 1 29 29 ALA N N 15 128.393 0.3 . 1 . . . . . 118 ALA N . 16078 1 104 . 1 1 30 30 GLY H H 1 8.390 0.020 . 1 . . . . . 119 GLY H . 16078 1 105 . 1 1 30 30 GLY C C 13 173.680 0.3 . 1 . . . . . 119 GLY C . 16078 1 106 . 1 1 30 30 GLY CA C 13 44.715 0.3 . 1 . . . . . 119 GLY CA . 16078 1 107 . 1 1 30 30 GLY N N 15 108.834 0.3 . 1 . . . . . 119 GLY N . 16078 1 108 . 1 1 31 31 ALA H H 1 8.120 0.020 . 1 . . . . . 120 ALA H . 16078 1 109 . 1 1 31 31 ALA C C 13 177.555 0.3 . 1 . . . . . 120 ALA C . 16078 1 110 . 1 1 31 31 ALA CA C 13 51.853 0.3 . 1 . . . . . 120 ALA CA . 16078 1 111 . 1 1 31 31 ALA N N 15 123.838 0.3 . 1 . . . . . 120 ALA N . 16078 1 112 . 1 1 32 32 VAL H H 1 8.188 0.020 . 1 . . . . . 121 VAL H . 16078 1 113 . 1 1 32 32 VAL C C 13 176.337 0.3 . 1 . . . . . 121 VAL C . 16078 1 114 . 1 1 32 32 VAL CA C 13 61.670 0.3 . 1 . . . . . 121 VAL CA . 16078 1 115 . 1 1 32 32 VAL N N 15 119.899 0.3 . 1 . . . . . 121 VAL N . 16078 1 116 . 1 1 33 33 VAL H H 1 8.321 0.020 . 1 . . . . . 122 VAL H . 16078 1 117 . 1 1 33 33 VAL C C 13 176.599 0.3 . 1 . . . . . 122 VAL C . 16078 1 118 . 1 1 33 33 VAL CA C 13 62.001 0.3 . 1 . . . . . 122 VAL CA . 16078 1 119 . 1 1 33 33 VAL N N 15 124.978 0.3 . 1 . . . . . 122 VAL N . 16078 1 120 . 1 1 34 34 GLY H H 1 8.613 0.020 . 1 . . . . . 123 GLY H . 16078 1 121 . 1 1 34 34 GLY C C 13 174.705 0.3 . 1 . . . . . 123 GLY C . 16078 1 122 . 1 1 34 34 GLY CA C 13 44.911 0.3 . 1 . . . . . 123 GLY CA . 16078 1 123 . 1 1 34 34 GLY N N 15 113.691 0.3 . 1 . . . . . 123 GLY N . 16078 1 124 . 1 1 35 35 GLY H H 1 8.307 0.020 . 1 . . . . . 124 GLY H . 16078 1 125 . 1 1 35 35 GLY C C 13 174.334 0.3 . 1 . . . . . 124 GLY C . 16078 1 126 . 1 1 35 35 GLY CA C 13 44.906 0.3 . 1 . . . . . 124 GLY CA . 16078 1 127 . 1 1 35 35 GLY N N 15 108.736 0.3 . 1 . . . . . 124 GLY N . 16078 1 128 . 1 1 36 36 LEU H H 1 8.221 0.020 . 1 . . . . . 125 LEU H . 16078 1 129 . 1 1 36 36 LEU C C 13 177.894 0.3 . 1 . . . . . 125 LEU C . 16078 1 130 . 1 1 36 36 LEU CA C 13 54.456 0.3 . 1 . . . . . 125 LEU CA . 16078 1 131 . 1 1 36 36 LEU N N 15 122.027 0.3 . 1 . . . . . 125 LEU N . 16078 1 132 . 1 1 37 37 GLY H H 1 8.585 0.020 . 1 . . . . . 126 GLY H . 16078 1 133 . 1 1 37 37 GLY C C 13 174.805 0.3 . 1 . . . . . 126 GLY C . 16078 1 134 . 1 1 37 37 GLY CA C 13 45.840 0.3 . 1 . . . . . 126 GLY CA . 16078 1 135 . 1 1 37 37 GLY N N 15 110.217 0.3 . 1 . . . . . 126 GLY N . 16078 1 136 . 1 1 38 38 GLY H H 1 8.416 0.020 . 1 . . . . . 127 GLY H . 16078 1 137 . 1 1 38 38 GLY C C 13 173.930 0.3 . 1 . . . . . 127 GLY C . 16078 1 138 . 1 1 38 38 GLY CA C 13 44.667 0.3 . 1 . . . . . 127 GLY CA . 16078 1 139 . 1 1 38 38 GLY N N 15 109.464 0.3 . 1 . . . . . 127 GLY N . 16078 1 140 . 1 1 39 39 TYR H H 1 7.890 0.020 . 1 . . . . . 128 TYR H . 16078 1 141 . 1 1 39 39 TYR C C 13 175.695 0.3 . 1 . . . . . 128 TYR C . 16078 1 142 . 1 1 39 39 TYR CA C 13 57.965 0.3 . 1 . . . . . 128 TYR CA . 16078 1 143 . 1 1 39 39 TYR N N 15 118.243 0.3 . 1 . . . . . 128 TYR N . 16078 1 144 . 1 1 40 40 MET H H 1 9.136 0.020 . 1 . . . . . 129 MET H . 16078 1 145 . 1 1 40 40 MET C C 13 172.934 0.3 . 1 . . . . . 129 MET C . 16078 1 146 . 1 1 40 40 MET CA C 13 53.235 0.3 . 1 . . . . . 129 MET CA . 16078 1 147 . 1 1 40 40 MET N N 15 121.696 0.3 . 1 . . . . . 129 MET N . 16078 1 148 . 1 1 41 41 LEU H H 1 8.075 0.020 . 1 . . . . . 130 LEU H . 16078 1 149 . 1 1 41 41 LEU C C 13 178.143 0.3 . 1 . . . . . 130 LEU C . 16078 1 150 . 1 1 41 41 LEU CA C 13 52.944 0.3 . 1 . . . . . 130 LEU CA . 16078 1 151 . 1 1 41 41 LEU N N 15 121.383 0.3 . 1 . . . . . 130 LEU N . 16078 1 152 . 1 1 42 42 GLY H H 1 9.433 0.020 . 1 . . . . . 131 GLY H . 16078 1 153 . 1 1 42 42 GLY C C 13 172.809 0.3 . 1 . . . . . 131 GLY C . 16078 1 154 . 1 1 42 42 GLY CA C 13 44.526 0.3 . 1 . . . . . 131 GLY CA . 16078 1 155 . 1 1 42 42 GLY N N 15 115.453 0.3 . 1 . . . . . 131 GLY N . 16078 1 156 . 1 1 43 43 SER H H 1 8.343 0.020 . 1 . . . . . 132 SER H . 16078 1 157 . 1 1 43 43 SER C C 13 174.937 0.3 . 1 . . . . . 132 SER C . 16078 1 158 . 1 1 43 43 SER CA C 13 58.079 0.3 . 1 . . . . . 132 SER CA . 16078 1 159 . 1 1 43 43 SER N N 15 114.014 0.3 . 1 . . . . . 132 SER N . 16078 1 160 . 1 1 44 44 ALA H H 1 8.754 0.020 . 1 . . . . . 133 ALA H . 16078 1 161 . 1 1 44 44 ALA C C 13 177.510 0.3 . 1 . . . . . 133 ALA C . 16078 1 162 . 1 1 44 44 ALA CA C 13 52.527 0.3 . 1 . . . . . 133 ALA CA . 16078 1 163 . 1 1 44 44 ALA N N 15 125.817 0.3 . 1 . . . . . 133 ALA N . 16078 1 164 . 1 1 45 45 MET H H 1 8.801 0.020 . 1 . . . . . 134 MET H . 16078 1 165 . 1 1 45 45 MET C C 13 175.589 0.3 . 1 . . . . . 134 MET C . 16078 1 166 . 1 1 45 45 MET CA C 13 53.476 0.3 . 1 . . . . . 134 MET CA . 16078 1 167 . 1 1 45 45 MET N N 15 121.585 0.3 . 1 . . . . . 134 MET N . 16078 1 168 . 1 1 46 46 SER H H 1 8.468 0.020 . 1 . . . . . 135 SER H . 16078 1 169 . 1 1 46 46 SER C C 13 174.413 0.3 . 1 . . . . . 135 SER C . 16078 1 170 . 1 1 46 46 SER CA C 13 58.194 0.3 . 1 . . . . . 135 SER CA . 16078 1 171 . 1 1 46 46 SER N N 15 116.455 0.3 . 1 . . . . . 135 SER N . 16078 1 172 . 1 1 47 47 ARG H H 1 8.703 0.020 . 1 . . . . . 136 ARG H . 16078 1 173 . 1 1 47 47 ARG C C 13 174.613 0.3 . 1 . . . . . 136 ARG C . 16078 1 174 . 1 1 47 47 ARG CA C 13 54.397 0.3 . 1 . . . . . 136 ARG CA . 16078 1 175 . 1 1 47 47 ARG N N 15 127.094 0.3 . 1 . . . . . 136 ARG N . 16078 1 176 . 1 1 48 48 PRO C C 13 175.656 0.3 . 1 . . . . . 137 PRO C . 16078 1 177 . 1 1 48 48 PRO CA C 13 61.908 0.3 . 1 . . . . . 137 PRO CA . 16078 1 178 . 1 1 49 49 MET H H 1 8.725 0.020 . 1 . . . . . 138 MET H . 16078 1 179 . 1 1 49 49 MET C C 13 175.002 0.3 . 1 . . . . . 138 MET C . 16078 1 180 . 1 1 49 49 MET CA C 13 53.616 0.3 . 1 . . . . . 138 MET CA . 16078 1 181 . 1 1 49 49 MET N N 15 122.192 0.3 . 1 . . . . . 138 MET N . 16078 1 182 . 1 1 50 50 ILE H H 1 6.584 0.020 . 1 . . . . . 139 ILE H . 16078 1 183 . 1 1 50 50 ILE C C 13 173.130 0.3 . 1 . . . . . 139 ILE C . 16078 1 184 . 1 1 50 50 ILE CA C 13 58.766 0.3 . 1 . . . . . 139 ILE CA . 16078 1 185 . 1 1 50 50 ILE N N 15 124.628 0.3 . 1 . . . . . 139 ILE N . 16078 1 186 . 1 1 51 51 HIS H H 1 8.129 0.020 . 1 . . . . . 140 HIS H . 16078 1 187 . 1 1 51 51 HIS C C 13 175.277 0.3 . 1 . . . . . 140 HIS C . 16078 1 188 . 1 1 51 51 HIS CA C 13 54.332 0.3 . 1 . . . . . 140 HIS CA . 16078 1 189 . 1 1 51 51 HIS N N 15 123.217 0.3 . 1 . . . . . 140 HIS N . 16078 1 190 . 1 1 52 52 PHE H H 1 10.372 0.020 . 1 . . . . . 141 PHE H . 16078 1 191 . 1 1 52 52 PHE C C 13 177.070 0.3 . 1 . . . . . 141 PHE C . 16078 1 192 . 1 1 52 52 PHE CA C 13 59.191 0.3 . 1 . . . . . 141 PHE CA . 16078 1 193 . 1 1 52 52 PHE N N 15 125.391 0.3 . 1 . . . . . 141 PHE N . 16078 1 194 . 1 1 53 53 GLY H H 1 8.941 0.020 . 1 . . . . . 142 GLY H . 16078 1 195 . 1 1 53 53 GLY C C 13 173.235 0.3 . 1 . . . . . 142 GLY C . 16078 1 196 . 1 1 53 53 GLY CA C 13 45.264 0.3 . 1 . . . . . 142 GLY CA . 16078 1 197 . 1 1 53 53 GLY N N 15 109.357 0.3 . 1 . . . . . 142 GLY N . 16078 1 198 . 1 1 54 54 ASN H H 1 7.260 0.020 . 1 . . . . . 143 ASN H . 16078 1 199 . 1 1 54 54 ASN C C 13 174.333 0.3 . 1 . . . . . 143 ASN C . 16078 1 200 . 1 1 54 54 ASN CA C 13 52.100 0.3 . 1 . . . . . 143 ASN CA . 16078 1 201 . 1 1 54 54 ASN N N 15 114.498 0.3 . 1 . . . . . 143 ASN N . 16078 1 202 . 1 1 55 55 ASP H H 1 9.034 0.020 . 1 . . . . . 144 ASP H . 16078 1 203 . 1 1 55 55 ASP C C 13 177.894 0.3 . 1 . . . . . 144 ASP C . 16078 1 204 . 1 1 55 55 ASP CA C 13 57.399 0.3 . 1 . . . . . 144 ASP CA . 16078 1 205 . 1 1 55 55 ASP N N 15 123.502 0.3 . 1 . . . . . 144 ASP N . 16078 1 206 . 1 1 56 56 TRP H H 1 8.561 0.020 . 1 . . . . . 145 TRP H . 16078 1 207 . 1 1 56 56 TRP C C 13 179.125 0.3 . 1 . . . . . 145 TRP C . 16078 1 208 . 1 1 56 56 TRP CA C 13 61.375 0.3 . 1 . . . . . 145 TRP CA . 16078 1 209 . 1 1 56 56 TRP N N 15 120.600 0.3 . 1 . . . . . 145 TRP N . 16078 1 210 . 1 1 57 57 GLU H H 1 8.136 0.020 . 1 . . . . . 146 GLU H . 16078 1 211 . 1 1 57 57 GLU C C 13 177.711 0.3 . 1 . . . . . 146 GLU C . 16078 1 212 . 1 1 57 57 GLU CA C 13 59.595 0.3 . 1 . . . . . 146 GLU CA . 16078 1 213 . 1 1 57 57 GLU N N 15 120.714 0.3 . 1 . . . . . 146 GLU N . 16078 1 214 . 1 1 58 58 ASP H H 1 7.914 0.020 . 1 . . . . . 147 ASP H . 16078 1 215 . 1 1 58 58 ASP C C 13 179.046 0.3 . 1 . . . . . 147 ASP C . 16078 1 216 . 1 1 58 58 ASP CA C 13 58.193 0.3 . 1 . . . . . 147 ASP CA . 16078 1 217 . 1 1 58 58 ASP N N 15 119.043 0.3 . 1 . . . . . 147 ASP N . 16078 1 218 . 1 1 59 59 ARG H H 1 8.028 0.020 . 1 . . . . . 148 ARG H . 16078 1 219 . 1 1 59 59 ARG C C 13 177.541 0.3 . 1 . . . . . 148 ARG C . 16078 1 220 . 1 1 59 59 ARG CA C 13 59.262 0.3 . 1 . . . . . 148 ARG CA . 16078 1 221 . 1 1 59 59 ARG N N 15 119.940 0.3 . 1 . . . . . 148 ARG N . 16078 1 222 . 1 1 60 60 TYR H H 1 8.267 0.020 . 1 . . . . . 149 TYR H . 16078 1 223 . 1 1 60 60 TYR C C 13 179.570 0.3 . 1 . . . . . 149 TYR C . 16078 1 224 . 1 1 60 60 TYR CA C 13 61.730 0.3 . 1 . . . . . 149 TYR CA . 16078 1 225 . 1 1 60 60 TYR N N 15 121.063 0.3 . 1 . . . . . 149 TYR N . 16078 1 226 . 1 1 61 61 TYR H H 1 9.031 0.020 . 1 . . . . . 150 TYR H . 16078 1 227 . 1 1 61 61 TYR C C 13 176.991 0.3 . 1 . . . . . 150 TYR C . 16078 1 228 . 1 1 61 61 TYR CA C 13 62.665 0.3 . 1 . . . . . 150 TYR CA . 16078 1 229 . 1 1 61 61 TYR N N 15 120.752 0.3 . 1 . . . . . 150 TYR N . 16078 1 230 . 1 1 62 62 ARG H H 1 7.890 0.020 . 1 . . . . . 151 ARG H . 16078 1 231 . 1 1 62 62 ARG C C 13 179.112 0.3 . 1 . . . . . 151 ARG C . 16078 1 232 . 1 1 62 62 ARG CA C 13 59.532 0.3 . 1 . . . . . 151 ARG CA . 16078 1 233 . 1 1 62 62 ARG N N 15 117.570 0.3 . 1 . . . . . 151 ARG N . 16078 1 234 . 1 1 63 63 GLU H H 1 7.925 0.020 . 1 . . . . . 152 GLU H . 16078 1 235 . 1 1 63 63 GLU C C 13 177.593 0.3 . 1 . . . . . 152 GLU C . 16078 1 236 . 1 1 63 63 GLU CA C 13 57.439 0.3 . 1 . . . . . 152 GLU CA . 16078 1 237 . 1 1 63 63 GLU N N 15 116.085 0.3 . 1 . . . . . 152 GLU N . 16078 1 238 . 1 1 64 64 ASN H H 1 7.562 0.020 . 1 . . . . . 153 ASN H . 16078 1 239 . 1 1 64 64 ASN C C 13 175.460 0.3 . 1 . . . . . 153 ASN C . 16078 1 240 . 1 1 64 64 ASN CA C 13 54.540 0.3 . 1 . . . . . 153 ASN CA . 16078 1 241 . 1 1 64 64 ASN N N 15 115.422 0.3 . 1 . . . . . 153 ASN N . 16078 1 242 . 1 1 65 65 MET H H 1 7.889 0.020 . 1 . . . . . 154 MET H . 16078 1 243 . 1 1 65 65 MET C C 13 176.324 0.3 . 1 . . . . . 154 MET C . 16078 1 244 . 1 1 65 65 MET CA C 13 58.671 0.3 . 1 . . . . . 154 MET CA . 16078 1 245 . 1 1 65 65 MET N N 15 118.623 0.3 . 1 . . . . . 154 MET N . 16078 1 246 . 1 1 66 66 TYR H H 1 7.597 0.020 . 1 . . . . . 155 TYR H . 16078 1 247 . 1 1 66 66 TYR C C 13 175.852 0.3 . 1 . . . . . 155 TYR C . 16078 1 248 . 1 1 66 66 TYR CA C 13 58.800 0.3 . 1 . . . . . 155 TYR CA . 16078 1 249 . 1 1 66 66 TYR N N 15 116.808 0.3 . 1 . . . . . 155 TYR N . 16078 1 250 . 1 1 67 67 ARG H H 1 7.522 0.020 . 1 . . . . . 156 ARG H . 16078 1 251 . 1 1 67 67 ARG C C 13 176.775 0.3 . 1 . . . . . 156 ARG C . 16078 1 252 . 1 1 67 67 ARG CA C 13 55.903 0.3 . 1 . . . . . 156 ARG CA . 16078 1 253 . 1 1 67 67 ARG N N 15 119.168 0.3 . 1 . . . . . 156 ARG N . 16078 1 254 . 1 1 68 68 TYR H H 1 7.454 0.020 . 1 . . . . . 157 TYR H . 16078 1 255 . 1 1 68 68 TYR C C 13 172.761 0.3 . 1 . . . . . 157 TYR C . 16078 1 256 . 1 1 68 68 TYR CA C 13 52.223 0.3 . 1 . . . . . 157 TYR CA . 16078 1 257 . 1 1 68 68 TYR N N 15 121.709 0.3 . 1 . . . . . 157 TYR N . 16078 1 258 . 1 1 69 69 PRO C C 13 175.028 0.3 . 1 . . . . . 158 PRO C . 16078 1 259 . 1 1 69 69 PRO CA C 13 63.130 0.3 . 1 . . . . . 158 PRO CA . 16078 1 260 . 1 1 70 70 ASN H H 1 8.646 0.020 . 1 . . . . . 159 ASN H . 16078 1 261 . 1 1 70 70 ASN C C 13 172.808 0.3 . 1 . . . . . 159 ASN C . 16078 1 262 . 1 1 70 70 ASN CA C 13 51.578 0.3 . 1 . . . . . 159 ASN CA . 16078 1 263 . 1 1 70 70 ASN N N 15 116.465 0.3 . 1 . . . . . 159 ASN N . 16078 1 264 . 1 1 71 71 GLN H H 1 7.295 0.020 . 1 . . . . . 160 GLN H . 16078 1 265 . 1 1 71 71 GLN C C 13 174.968 0.3 . 1 . . . . . 160 GLN C . 16078 1 266 . 1 1 71 71 GLN CA C 13 53.732 0.3 . 1 . . . . . 160 GLN CA . 16078 1 267 . 1 1 71 71 GLN N N 15 114.497 0.3 . 1 . . . . . 160 GLN N . 16078 1 268 . 1 1 72 72 VAL H H 1 8.475 0.020 . 1 . . . . . 161 VAL H . 16078 1 269 . 1 1 72 72 VAL C C 13 174.114 0.3 . 1 . . . . . 161 VAL C . 16078 1 270 . 1 1 72 72 VAL CA C 13 58.222 0.3 . 1 . . . . . 161 VAL CA . 16078 1 271 . 1 1 72 72 VAL N N 15 112.983 0.3 . 1 . . . . . 161 VAL N . 16078 1 272 . 1 1 73 73 TYR H H 1 8.484 0.020 . 1 . . . . . 162 TYR H . 16078 1 273 . 1 1 73 73 TYR C C 13 174.705 0.3 . 1 . . . . . 162 TYR C . 16078 1 274 . 1 1 73 73 TYR CA C 13 56.575 0.3 . 1 . . . . . 162 TYR CA . 16078 1 275 . 1 1 73 73 TYR N N 15 121.825 0.3 . 1 . . . . . 162 TYR N . 16078 1 276 . 1 1 74 74 TYR H H 1 8.515 0.020 . 1 . . . . . 163 TYR H . 16078 1 277 . 1 1 74 74 TYR C C 13 173.575 0.3 . 1 . . . . . 163 TYR C . 16078 1 278 . 1 1 74 74 TYR CA C 13 55.501 0.3 . 1 . . . . . 163 TYR CA . 16078 1 279 . 1 1 74 74 TYR N N 15 111.242 0.3 . 1 . . . . . 163 TYR N . 16078 1 280 . 1 1 75 75 ARG H H 1 7.944 0.020 . 1 . . . . . 164 ARG H . 16078 1 281 . 1 1 75 75 ARG C C 13 178.119 0.3 . 1 . . . . . 164 ARG C . 16078 1 282 . 1 1 75 75 ARG CA C 13 53.044 0.3 . 1 . . . . . 164 ARG CA . 16078 1 283 . 1 1 75 75 ARG N N 15 120.895 0.3 . 1 . . . . . 164 ARG N . 16078 1 284 . 1 1 81 81 SER CA C 13 58.355 0.3 . 1 . . . . . 170 SER CA . 16078 1 285 . 1 1 82 82 ASN C C 13 173.970 0.3 . 1 . . . . . 171 ASN C . 16078 1 286 . 1 1 82 82 ASN CA C 13 51.824 0.3 . 1 . . . . . 171 ASN CA . 16078 1 287 . 1 1 83 83 GLN H H 1 8.658 0.020 . 1 . . . . . 172 GLN H . 16078 1 288 . 1 1 83 83 GLN C C 13 176.880 0.3 . 1 . . . . . 172 GLN C . 16078 1 289 . 1 1 83 83 GLN CA C 13 58.734 0.3 . 1 . . . . . 172 GLN CA . 16078 1 290 . 1 1 83 83 GLN N N 15 120.174 0.3 . 1 . . . . . 172 GLN N . 16078 1 291 . 1 1 84 84 ASN H H 1 8.428 0.020 . 1 . . . . . 173 ASN H . 16078 1 292 . 1 1 84 84 ASN C C 13 177.711 0.3 . 1 . . . . . 173 ASN C . 16078 1 293 . 1 1 84 84 ASN CA C 13 56.095 0.3 . 1 . . . . . 173 ASN CA . 16078 1 294 . 1 1 84 84 ASN N N 15 117.395 0.3 . 1 . . . . . 173 ASN N . 16078 1 295 . 1 1 85 85 ASN H H 1 8.592 0.020 . 1 . . . . . 174 ASN H . 16078 1 296 . 1 1 85 85 ASN C C 13 177.318 0.3 . 1 . . . . . 174 ASN C . 16078 1 297 . 1 1 85 85 ASN CA C 13 55.618 0.3 . 1 . . . . . 174 ASN CA . 16078 1 298 . 1 1 85 85 ASN N N 15 118.486 0.3 . 1 . . . . . 174 ASN N . 16078 1 299 . 1 1 86 86 PHE C C 13 177.476 0.3 . 1 . . . . . 175 PHE C . 16078 1 300 . 1 1 86 86 PHE CA C 13 60.398 0.3 . 1 . . . . . 175 PHE CA . 16078 1 301 . 1 1 87 87 VAL H H 1 8.904 0.020 . 1 . . . . . 176 VAL H . 16078 1 302 . 1 1 87 87 VAL C C 13 176.677 0.3 . 1 . . . . . 176 VAL C . 16078 1 303 . 1 1 87 87 VAL CA C 13 67.337 0.3 . 1 . . . . . 176 VAL CA . 16078 1 304 . 1 1 87 87 VAL N N 15 120.628 0.3 . 1 . . . . . 176 VAL N . 16078 1 305 . 1 1 88 88 HIS H H 1 8.382 0.020 . 1 . . . . . 177 HIS H . 16078 1 306 . 1 1 88 88 HIS C C 13 177.573 0.3 . 1 . . . . . 177 HIS C . 16078 1 307 . 1 1 88 88 HIS CA C 13 59.490 0.3 . 1 . . . . . 177 HIS CA . 16078 1 308 . 1 1 88 88 HIS N N 15 117.889 0.3 . 1 . . . . . 177 HIS N . 16078 1 309 . 1 1 89 89 ASP H H 1 7.436 0.020 . 1 . . . . . 178 ASP H . 16078 1 310 . 1 1 89 89 ASP C C 13 175.842 0.3 . 1 . . . . . 178 ASP C . 16078 1 311 . 1 1 89 89 ASP CA C 13 56.696 0.3 . 1 . . . . . 178 ASP CA . 16078 1 312 . 1 1 89 89 ASP N N 15 118.315 0.3 . 1 . . . . . 178 ASP N . 16078 1 313 . 1 1 90 90 CYS H H 1 8.164 0.020 . 1 . . . . . 179 CYS H . 16078 1 314 . 1 1 90 90 CYS C C 13 177.528 0.3 . 1 . . . . . 179 CYS C . 16078 1 315 . 1 1 90 90 CYS CA C 13 58.250 0.3 . 1 . . . . . 179 CYS CA . 16078 1 316 . 1 1 90 90 CYS N N 15 119.182 0.3 . 1 . . . . . 179 CYS N . 16078 1 317 . 1 1 91 91 VAL H H 1 9.301 0.020 . 1 . . . . . 180 VAL H . 16078 1 318 . 1 1 91 91 VAL C C 13 177.224 0.3 . 1 . . . . . 180 VAL C . 16078 1 319 . 1 1 91 91 VAL CA C 13 65.771 0.3 . 1 . . . . . 180 VAL CA . 16078 1 320 . 1 1 91 91 VAL N N 15 125.174 0.3 . 1 . . . . . 180 VAL N . 16078 1 321 . 1 1 92 92 ASN H H 1 7.601 0.020 . 1 . . . . . 181 ASN H . 16078 1 322 . 1 1 92 92 ASN C C 13 178.466 0.3 . 1 . . . . . 181 ASN C . 16078 1 323 . 1 1 92 92 ASN CA C 13 56.317 0.3 . 1 . . . . . 181 ASN CA . 16078 1 324 . 1 1 92 92 ASN N N 15 116.517 0.3 . 1 . . . . . 181 ASN N . 16078 1 325 . 1 1 93 93 ILE H H 1 8.804 0.020 . 1 . . . . . 182 ILE H . 16078 1 326 . 1 1 93 93 ILE C C 13 177.907 0.3 . 1 . . . . . 182 ILE C . 16078 1 327 . 1 1 93 93 ILE CA C 13 61.669 0.3 . 1 . . . . . 182 ILE CA . 16078 1 328 . 1 1 93 93 ILE N N 15 119.173 0.3 . 1 . . . . . 182 ILE N . 16078 1 329 . 1 1 94 94 THR H H 1 8.166 0.020 . 1 . . . . . 183 THR H . 16078 1 330 . 1 1 94 94 THR C C 13 177.659 0.3 . 1 . . . . . 183 THR C . 16078 1 331 . 1 1 94 94 THR CA C 13 68.055 0.3 . 1 . . . . . 183 THR CA . 16078 1 332 . 1 1 94 94 THR N N 15 118.262 0.3 . 1 . . . . . 183 THR N . 16078 1 333 . 1 1 95 95 ILE H H 1 8.479 0.020 . 1 . . . . . 184 ILE H . 16078 1 334 . 1 1 95 95 ILE C C 13 178.833 0.3 . 1 . . . . . 184 ILE C . 16078 1 335 . 1 1 95 95 ILE CA C 13 66.146 0.3 . 1 . . . . . 184 ILE CA . 16078 1 336 . 1 1 95 95 ILE N N 15 121.315 0.3 . 1 . . . . . 184 ILE N . 16078 1 337 . 1 1 96 96 LYS H H 1 8.152 0.020 . 1 . . . . . 185 LYS H . 16078 1 338 . 1 1 96 96 LYS C C 13 179.025 0.3 . 1 . . . . . 185 LYS C . 16078 1 339 . 1 1 96 96 LYS CA C 13 59.861 0.3 . 1 . . . . . 185 LYS CA . 16078 1 340 . 1 1 96 96 LYS N N 15 123.653 0.3 . 1 . . . . . 185 LYS N . 16078 1 341 . 1 1 97 97 GLN H H 1 8.560 0.020 . 1 . . . . . 186 GLN H . 16078 1 342 . 1 1 97 97 GLN C C 13 178.650 0.3 . 1 . . . . . 186 GLN C . 16078 1 343 . 1 1 97 97 GLN CA C 13 57.678 0.3 . 1 . . . . . 186 GLN CA . 16078 1 344 . 1 1 97 97 GLN N N 15 117.392 0.3 . 1 . . . . . 186 GLN N . 16078 1 345 . 1 1 98 98 HIS H H 1 8.521 0.020 . 1 . . . . . 187 HIS H . 16078 1 346 . 1 1 98 98 HIS C C 13 178.750 0.3 . 1 . . . . . 187 HIS C . 16078 1 347 . 1 1 98 98 HIS CA C 13 59.490 0.3 . 1 . . . . . 187 HIS CA . 16078 1 348 . 1 1 98 98 HIS N N 15 120.410 0.3 . 1 . . . . . 187 HIS N . 16078 1 349 . 1 1 99 99 THR H H 1 8.535 0.020 . 1 . . . . . 188 THR H . 16078 1 350 . 1 1 99 99 THR C C 13 176.488 0.3 . 1 . . . . . 188 THR C . 16078 1 351 . 1 1 99 99 THR CA C 13 66.378 0.3 . 1 . . . . . 188 THR CA . 16078 1 352 . 1 1 99 99 THR N N 15 115.451 0.3 . 1 . . . . . 188 THR N . 16078 1 353 . 1 1 100 100 VAL H H 1 8.104 0.020 . 1 . . . . . 189 VAL H . 16078 1 354 . 1 1 100 100 VAL C C 13 178.552 0.3 . 1 . . . . . 189 VAL C . 16078 1 355 . 1 1 100 100 VAL CA C 13 65.959 0.3 . 1 . . . . . 189 VAL CA . 16078 1 356 . 1 1 100 100 VAL N N 15 123.465 0.3 . 1 . . . . . 189 VAL N . 16078 1 357 . 1 1 101 101 THR H H 1 8.216 0.020 . 1 . . . . . 190 THR H . 16078 1 358 . 1 1 101 101 THR C C 13 176.727 0.3 . 1 . . . . . 190 THR C . 16078 1 359 . 1 1 101 101 THR CA C 13 65.132 0.3 . 1 . . . . . 190 THR CA . 16078 1 360 . 1 1 101 101 THR N N 15 115.515 0.3 . 1 . . . . . 190 THR N . 16078 1 361 . 1 1 102 102 THR H H 1 8.055 0.020 . 1 . . . . . 191 THR H . 16078 1 362 . 1 1 102 102 THR C C 13 177.134 0.3 . 1 . . . . . 191 THR C . 16078 1 363 . 1 1 102 102 THR CA C 13 64.913 0.3 . 1 . . . . . 191 THR CA . 16078 1 364 . 1 1 102 102 THR N N 15 114.875 0.3 . 1 . . . . . 191 THR N . 16078 1 365 . 1 1 103 103 THR H H 1 8.287 0.020 . 1 . . . . . 192 THR H . 16078 1 366 . 1 1 103 103 THR C C 13 178.012 0.3 . 1 . . . . . 192 THR C . 16078 1 367 . 1 1 103 103 THR CA C 13 65.100 0.3 . 1 . . . . . 192 THR CA . 16078 1 368 . 1 1 103 103 THR N N 15 118.577 0.3 . 1 . . . . . 192 THR N . 16078 1 369 . 1 1 104 104 THR H H 1 7.830 0.020 . 1 . . . . . 193 THR H . 16078 1 370 . 1 1 104 104 THR C C 13 175.133 0.3 . 1 . . . . . 193 THR C . 16078 1 371 . 1 1 104 104 THR CA C 13 64.432 0.3 . 1 . . . . . 193 THR CA . 16078 1 372 . 1 1 104 104 THR N N 15 116.681 0.3 . 1 . . . . . 193 THR N . 16078 1 373 . 1 1 105 105 LYS H H 1 7.465 0.020 . 1 . . . . . 194 LYS H . 16078 1 374 . 1 1 105 105 LYS C C 13 176.683 0.3 . 1 . . . . . 194 LYS C . 16078 1 375 . 1 1 105 105 LYS CA C 13 55.770 0.3 . 1 . . . . . 194 LYS CA . 16078 1 376 . 1 1 105 105 LYS N N 15 119.832 0.3 . 1 . . . . . 194 LYS N . 16078 1 377 . 1 1 106 106 GLY H H 1 7.923 0.020 . 1 . . . . . 195 GLY H . 16078 1 378 . 1 1 106 106 GLY C C 13 174.237 0.3 . 1 . . . . . 195 GLY C . 16078 1 379 . 1 1 106 106 GLY CA C 13 45.078 0.3 . 1 . . . . . 195 GLY CA . 16078 1 380 . 1 1 106 106 GLY N N 15 108.071 0.3 . 1 . . . . . 195 GLY N . 16078 1 381 . 1 1 107 107 GLU H H 1 7.454 0.020 . 1 . . . . . 196 GLU H . 16078 1 382 . 1 1 107 107 GLU C C 13 174.897 0.3 . 1 . . . . . 196 GLU C . 16078 1 383 . 1 1 107 107 GLU CA C 13 55.141 0.3 . 1 . . . . . 196 GLU CA . 16078 1 384 . 1 1 107 107 GLU N N 15 120.437 0.3 . 1 . . . . . 196 GLU N . 16078 1 385 . 1 1 108 108 ASN H H 1 8.562 0.020 . 1 . . . . . 197 ASN H . 16078 1 386 . 1 1 108 108 ASN C C 13 173.575 0.3 . 1 . . . . . 197 ASN C . 16078 1 387 . 1 1 108 108 ASN CA C 13 52.362 0.3 . 1 . . . . . 197 ASN CA . 16078 1 388 . 1 1 108 108 ASN N N 15 119.652 0.3 . 1 . . . . . 197 ASN N . 16078 1 389 . 1 1 109 109 PHE H H 1 8.787 0.020 . 1 . . . . . 198 PHE H . 16078 1 390 . 1 1 109 109 PHE C C 13 176.676 0.3 . 1 . . . . . 198 PHE C . 16078 1 391 . 1 1 109 109 PHE CA C 13 56.058 0.3 . 1 . . . . . 198 PHE CA . 16078 1 392 . 1 1 109 109 PHE N N 15 121.993 0.3 . 1 . . . . . 198 PHE N . 16078 1 393 . 1 1 110 110 THR H H 1 9.608 0.020 . 1 . . . . . 199 THR H . 16078 1 394 . 1 1 110 110 THR C C 13 175.457 0.3 . 1 . . . . . 199 THR C . 16078 1 395 . 1 1 110 110 THR CA C 13 59.992 0.3 . 1 . . . . . 199 THR CA . 16078 1 396 . 1 1 110 110 THR N N 15 116.210 0.3 . 1 . . . . . 199 THR N . 16078 1 397 . 1 1 111 111 GLU H H 1 9.208 0.020 . 1 . . . . . 200 GLU H . 16078 1 398 . 1 1 111 111 GLU C C 13 179.239 0.3 . 1 . . . . . 200 GLU C . 16078 1 399 . 1 1 111 111 GLU CA C 13 59.726 0.3 . 1 . . . . . 200 GLU CA . 16078 1 400 . 1 1 111 111 GLU N N 15 120.184 0.3 . 1 . . . . . 200 GLU N . 16078 1 401 . 1 1 112 112 THR H H 1 7.971 0.020 . 1 . . . . . 201 THR H . 16078 1 402 . 1 1 112 112 THR C C 13 175.651 0.3 . 1 . . . . . 201 THR C . 16078 1 403 . 1 1 112 112 THR CA C 13 66.498 0.3 . 1 . . . . . 201 THR CA . 16078 1 404 . 1 1 112 112 THR N N 15 116.887 0.3 . 1 . . . . . 201 THR N . 16078 1 405 . 1 1 113 113 ASP H H 1 7.533 0.020 . 1 . . . . . 202 ASP H . 16078 1 406 . 1 1 113 113 ASP C C 13 177.570 0.3 . 1 . . . . . 202 ASP C . 16078 1 407 . 1 1 113 113 ASP CA C 13 57.670 0.3 . 1 . . . . . 202 ASP CA . 16078 1 408 . 1 1 113 113 ASP N N 15 120.149 0.3 . 1 . . . . . 202 ASP N . 16078 1 409 . 1 1 114 114 VAL H H 1 8.268 0.020 . 1 . . . . . 203 VAL H . 16078 1 410 . 1 1 114 114 VAL C C 13 177.386 0.3 . 1 . . . . . 203 VAL C . 16078 1 411 . 1 1 114 114 VAL CA C 13 67.442 0.3 . 1 . . . . . 203 VAL CA . 16078 1 412 . 1 1 114 114 VAL N N 15 119.868 0.3 . 1 . . . . . 203 VAL N . 16078 1 413 . 1 1 115 115 LYS H H 1 7.697 0.020 . 1 . . . . . 204 LYS H . 16078 1 414 . 1 1 115 115 LYS C C 13 180.041 0.3 . 1 . . . . . 204 LYS C . 16078 1 415 . 1 1 115 115 LYS CA C 13 58.723 0.3 . 1 . . . . . 204 LYS CA . 16078 1 416 . 1 1 115 115 LYS N N 15 119.284 0.3 . 1 . . . . . 204 LYS N . 16078 1 417 . 1 1 116 116 MET H H 1 8.182 0.020 . 1 . . . . . 205 MET H . 16078 1 418 . 1 1 116 116 MET C C 13 178.195 0.3 . 1 . . . . . 205 MET C . 16078 1 419 . 1 1 116 116 MET CA C 13 59.310 0.3 . 1 . . . . . 205 MET CA . 16078 1 420 . 1 1 116 116 MET N N 15 118.695 0.3 . 1 . . . . . 205 MET N . 16078 1 421 . 1 1 117 117 MET H H 1 8.707 0.020 . 1 . . . . . 206 MET H . 16078 1 422 . 1 1 117 117 MET C C 13 177.777 0.3 . 1 . . . . . 206 MET C . 16078 1 423 . 1 1 117 117 MET CA C 13 59.586 0.3 . 1 . . . . . 206 MET CA . 16078 1 424 . 1 1 117 117 MET N N 15 118.440 0.3 . 1 . . . . . 206 MET N . 16078 1 425 . 1 1 118 118 GLU H H 1 8.585 0.020 . 1 . . . . . 207 GLU H . 16078 1 426 . 1 1 118 118 GLU C C 13 178.702 0.3 . 1 . . . . . 207 GLU C . 16078 1 427 . 1 1 118 118 GLU CA C 13 60.314 0.3 . 1 . . . . . 207 GLU CA . 16078 1 428 . 1 1 118 118 GLU N N 15 119.119 0.3 . 1 . . . . . 207 GLU N . 16078 1 429 . 1 1 119 119 ARG H H 1 7.286 0.020 . 1 . . . . . 208 ARG H . 16078 1 430 . 1 1 119 119 ARG C C 13 179.312 0.3 . 1 . . . . . 208 ARG C . 16078 1 431 . 1 1 119 119 ARG CA C 13 58.051 0.3 . 1 . . . . . 208 ARG CA . 16078 1 432 . 1 1 119 119 ARG N N 15 116.978 0.3 . 1 . . . . . 208 ARG N . 16078 1 433 . 1 1 120 120 VAL H H 1 8.273 0.020 . 1 . . . . . 209 VAL H . 16078 1 434 . 1 1 120 120 VAL C C 13 177.012 0.3 . 1 . . . . . 209 VAL C . 16078 1 435 . 1 1 120 120 VAL CA C 13 65.266 0.3 . 1 . . . . . 209 VAL CA . 16078 1 436 . 1 1 120 120 VAL N N 15 119.306 0.3 . 1 . . . . . 209 VAL N . 16078 1 437 . 1 1 121 121 VAL H H 1 9.174 0.020 . 1 . . . . . 210 VAL H . 16078 1 438 . 1 1 121 121 VAL C C 13 177.607 0.3 . 1 . . . . . 210 VAL C . 16078 1 439 . 1 1 121 121 VAL CA C 13 65.967 0.3 . 1 . . . . . 210 VAL CA . 16078 1 440 . 1 1 121 121 VAL N N 15 121.570 0.3 . 1 . . . . . 210 VAL N . 16078 1 441 . 1 1 122 122 GLU H H 1 8.013 0.020 . 1 . . . . . 211 GLU H . 16078 1 442 . 1 1 122 122 GLU C C 13 177.514 0.3 . 1 . . . . . 211 GLU C . 16078 1 443 . 1 1 122 122 GLU CA C 13 60.792 0.3 . 1 . . . . . 211 GLU CA . 16078 1 444 . 1 1 122 122 GLU N N 15 120.925 0.3 . 1 . . . . . 211 GLU N . 16078 1 445 . 1 1 123 123 GLN H H 1 7.088 0.020 . 1 . . . . . 212 GLN H . 16078 1 446 . 1 1 123 123 GLN C C 13 179.216 0.3 . 1 . . . . . 212 GLN C . 16078 1 447 . 1 1 123 123 GLN CA C 13 58.710 0.3 . 1 . . . . . 212 GLN CA . 16078 1 448 . 1 1 123 123 GLN N N 15 115.479 0.3 . 1 . . . . . 212 GLN N . 16078 1 449 . 1 1 124 124 MET H H 1 8.162 0.020 . 1 . . . . . 213 MET H . 16078 1 450 . 1 1 124 124 MET C C 13 178.549 0.3 . 1 . . . . . 213 MET C . 16078 1 451 . 1 1 124 124 MET CA C 13 59.572 0.3 . 1 . . . . . 213 MET CA . 16078 1 452 . 1 1 124 124 MET N N 15 119.434 0.3 . 1 . . . . . 213 MET N . 16078 1 453 . 1 1 125 125 CYS H H 1 9.233 0.020 . 1 . . . . . 214 CYS H . 16078 1 454 . 1 1 125 125 CYS C C 13 176.886 0.3 . 1 . . . . . 214 CYS C . 16078 1 455 . 1 1 125 125 CYS CA C 13 59.659 0.3 . 1 . . . . . 214 CYS CA . 16078 1 456 . 1 1 125 125 CYS N N 15 119.691 0.3 . 1 . . . . . 214 CYS N . 16078 1 457 . 1 1 126 126 VAL H H 1 8.509 0.020 . 1 . . . . . 215 VAL H . 16078 1 458 . 1 1 126 126 VAL C C 13 178.041 0.3 . 1 . . . . . 215 VAL C . 16078 1 459 . 1 1 126 126 VAL CA C 13 67.274 0.3 . 1 . . . . . 215 VAL CA . 16078 1 460 . 1 1 126 126 VAL N N 15 123.887 0.3 . 1 . . . . . 215 VAL N . 16078 1 461 . 1 1 127 127 THR H H 1 8.132 0.020 . 1 . . . . . 216 THR H . 16078 1 462 . 1 1 127 127 THR C C 13 176.690 0.3 . 1 . . . . . 216 THR C . 16078 1 463 . 1 1 127 127 THR CA C 13 66.624 0.3 . 1 . . . . . 216 THR CA . 16078 1 464 . 1 1 127 127 THR N N 15 118.339 0.3 . 1 . . . . . 216 THR N . 16078 1 465 . 1 1 128 128 GLN H H 1 8.732 0.020 . 1 . . . . . 217 GLN H . 16078 1 466 . 1 1 128 128 GLN C C 13 177.393 0.3 . 1 . . . . . 217 GLN C . 16078 1 467 . 1 1 128 128 GLN CA C 13 58.258 0.3 . 1 . . . . . 217 GLN CA . 16078 1 468 . 1 1 128 128 GLN N N 15 122.861 0.3 . 1 . . . . . 217 GLN N . 16078 1 469 . 1 1 129 129 TYR H H 1 8.620 0.020 . 1 . . . . . 218 TYR H . 16078 1 470 . 1 1 129 129 TYR C C 13 178.182 0.3 . 1 . . . . . 218 TYR C . 16078 1 471 . 1 1 129 129 TYR CA C 13 61.608 0.3 . 1 . . . . . 218 TYR CA . 16078 1 472 . 1 1 129 129 TYR N N 15 120.465 0.3 . 1 . . . . . 218 TYR N . 16078 1 473 . 1 1 130 130 GLN H H 1 8.250 0.020 . 1 . . . . . 219 GLN H . 16078 1 474 . 1 1 130 130 GLN C C 13 178.549 0.3 . 1 . . . . . 219 GLN C . 16078 1 475 . 1 1 130 130 GLN CA C 13 58.666 0.3 . 1 . . . . . 219 GLN CA . 16078 1 476 . 1 1 130 130 GLN N N 15 119.920 0.3 . 1 . . . . . 219 GLN N . 16078 1 477 . 1 1 131 131 LYS H H 1 7.873 0.020 . 1 . . . . . 220 LYS H . 16078 1 478 . 1 1 131 131 LYS C C 13 179.777 0.3 . 1 . . . . . 220 LYS C . 16078 1 479 . 1 1 131 131 LYS CA C 13 58.924 0.3 . 1 . . . . . 220 LYS CA . 16078 1 480 . 1 1 131 131 LYS N N 15 119.622 0.3 . 1 . . . . . 220 LYS N . 16078 1 481 . 1 1 132 132 GLU H H 1 8.435 0.020 . 1 . . . . . 221 GLU H . 16078 1 482 . 1 1 132 132 GLU C C 13 179.229 0.3 . 1 . . . . . 221 GLU C . 16078 1 483 . 1 1 132 132 GLU CA C 13 57.432 0.3 . 1 . . . . . 221 GLU CA . 16078 1 484 . 1 1 132 132 GLU N N 15 118.538 0.3 . 1 . . . . . 221 GLU N . 16078 1 485 . 1 1 133 133 SER H H 1 8.421 0.020 . 1 . . . . . 222 SER H . 16078 1 486 . 1 1 133 133 SER C C 13 175.643 0.3 . 1 . . . . . 222 SER C . 16078 1 487 . 1 1 133 133 SER CA C 13 60.774 0.3 . 1 . . . . . 222 SER CA . 16078 1 488 . 1 1 133 133 SER N N 15 115.422 0.3 . 1 . . . . . 222 SER N . 16078 1 489 . 1 1 134 134 GLN H H 1 7.608 0.020 . 1 . . . . . 223 GLN H . 16078 1 490 . 1 1 134 134 GLN C C 13 177.161 0.3 . 1 . . . . . 223 GLN C . 16078 1 491 . 1 1 134 134 GLN CA C 13 57.673 0.3 . 1 . . . . . 223 GLN CA . 16078 1 492 . 1 1 134 134 GLN N N 15 120.946 0.3 . 1 . . . . . 223 GLN N . 16078 1 493 . 1 1 135 135 ALA H H 1 7.608 0.020 . 1 . . . . . 224 ALA H . 16078 1 494 . 1 1 135 135 ALA C C 13 178.952 0.3 . 1 . . . . . 224 ALA C . 16078 1 495 . 1 1 135 135 ALA CA C 13 53.673 0.3 . 1 . . . . . 224 ALA CA . 16078 1 496 . 1 1 135 135 ALA N N 15 120.897 0.3 . 1 . . . . . 224 ALA N . 16078 1 497 . 1 1 136 136 TYR H H 1 7.947 0.020 . 1 . . . . . 225 TYR H . 16078 1 498 . 1 1 136 136 TYR C C 13 177.161 0.3 . 1 . . . . . 225 TYR C . 16078 1 499 . 1 1 136 136 TYR CA C 13 59.497 0.3 . 1 . . . . . 225 TYR CA . 16078 1 500 . 1 1 136 136 TYR N N 15 119.363 0.3 . 1 . . . . . 225 TYR N . 16078 1 501 . 1 1 137 137 TYR H H 1 8.056 0.020 . 1 . . . . . 226 TYR H . 16078 1 502 . 1 1 137 137 TYR C C 13 176.900 0.3 . 1 . . . . . 226 TYR C . 16078 1 503 . 1 1 137 137 TYR CA C 13 59.310 0.3 . 1 . . . . . 226 TYR CA . 16078 1 504 . 1 1 137 137 TYR N N 15 119.867 0.3 . 1 . . . . . 226 TYR N . 16078 1 505 . 1 1 138 138 ASP H H 1 8.249 0.020 . 1 . . . . . 227 ASP H . 16078 1 506 . 1 1 138 138 ASP C C 13 177.253 0.3 . 1 . . . . . 227 ASP C . 16078 1 507 . 1 1 138 138 ASP CA C 13 54.887 0.3 . 1 . . . . . 227 ASP CA . 16078 1 508 . 1 1 138 138 ASP N N 15 121.189 0.3 . 1 . . . . . 227 ASP N . 16078 1 509 . 1 1 139 139 GLY H H 1 7.861 0.020 . 1 . . . . . 228 GLY H . 16078 1 510 . 1 1 139 139 GLY C C 13 174.413 0.3 . 1 . . . . . 228 GLY C . 16078 1 511 . 1 1 139 139 GLY CA C 13 45.176 0.3 . 1 . . . . . 228 GLY CA . 16078 1 512 . 1 1 139 139 GLY N N 15 108.171 0.3 . 1 . . . . . 228 GLY N . 16078 1 513 . 1 1 140 140 ARG H H 1 7.842 0.020 . 1 . . . . . 229 ARG H . 16078 1 514 . 1 1 140 140 ARG C C 13 176.206 0.3 . 1 . . . . . 229 ARG C . 16078 1 515 . 1 1 140 140 ARG CA C 13 55.732 0.3 . 1 . . . . . 229 ARG CA . 16078 1 516 . 1 1 140 140 ARG N N 15 120.250 0.3 . 1 . . . . . 229 ARG N . 16078 1 517 . 1 1 141 141 ARG H H 1 8.251 0.020 . 1 . . . . . 230 ARG H . 16078 1 518 . 1 1 141 141 ARG C C 13 175.486 0.3 . 1 . . . . . 230 ARG C . 16078 1 519 . 1 1 141 141 ARG CA C 13 55.451 0.3 . 1 . . . . . 230 ARG CA . 16078 1 520 . 1 1 141 141 ARG N N 15 122.737 0.3 . 1 . . . . . 230 ARG N . 16078 1 521 . 1 1 142 142 SER H H 1 8.012 0.020 . 1 . . . . . 231 SER H . 16078 1 522 . 1 1 142 142 SER C C 13 178.605 0.3 . 1 . . . . . 231 SER C . 16078 1 523 . 1 1 142 142 SER CA C 13 59.560 0.3 . 1 . . . . . 231 SER CA . 16078 1 524 . 1 1 142 142 SER N N 15 122.990 0.3 . 1 . . . . . 231 SER N . 16078 1 stop_ save_