################################### # 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 16080 _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 & HNCACB 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' . . . 16080 1 3 '3D HNCO' . . . 16080 1 4 '3D HNCA' . . . 16080 1 5 '3D HN(CA)CO' . . . 16080 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 . . 16080 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 8.326 0.020 . 1 . . . . . 90 GLY H . 16080 1 2 . 1 1 1 1 GLY C C 13 174.289 0.3 . 1 . . . . . 90 GLY C . 16080 1 3 . 1 1 1 1 GLY CA C 13 44.951 0.3 . 1 . . . . . 90 GLY CA . 16080 1 4 . 1 1 1 1 GLY N N 15 109.177 0.3 . 1 . . . . . 90 GLY N . 16080 1 5 . 1 1 2 2 GLN H H 1 8.365 0.020 . 1 . . . . . 91 GLN H . 16080 1 6 . 1 1 2 2 GLN C C 13 176.725 0.3 . 1 . . . . . 91 GLN C . 16080 1 7 . 1 1 2 2 GLN CA C 13 55.563 0.3 . 1 . . . . . 91 GLN CA . 16080 1 8 . 1 1 2 2 GLN N N 15 120.215 0.3 . 1 . . . . . 91 GLN N . 16080 1 9 . 1 1 3 3 GLY H H 1 8.600 0.020 . 1 . . . . . 92 GLY H . 16080 1 10 . 1 1 3 3 GLY C C 13 174.788 0.3 . 1 . . . . . 92 GLY C . 16080 1 11 . 1 1 3 3 GLY CA C 13 45.024 0.3 . 1 . . . . . 92 GLY CA . 16080 1 12 . 1 1 3 3 GLY N N 15 110.726 0.3 . 1 . . . . . 92 GLY N . 16080 1 13 . 1 1 4 4 GLY H H 1 8.377 0.020 . 1 . . . . . 93 GLY H . 16080 1 14 . 1 1 4 4 GLY C C 13 174.819 0.3 . 1 . . . . . 93 GLY C . 16080 1 15 . 1 1 4 4 GLY CA C 13 44.899 0.3 . 1 . . . . . 93 GLY CA . 16080 1 16 . 1 1 4 4 GLY N N 15 109.143 0.3 . 1 . . . . . 93 GLY N . 16080 1 17 . 1 1 5 5 GLY H H 1 8.381 0.020 . 1 . . . . . 94 GLY H . 16080 1 18 . 1 1 5 5 GLY C C 13 174.513 0.3 . 1 . . . . . 94 GLY C . 16080 1 19 . 1 1 5 5 GLY CA C 13 44.788 0.3 . 1 . . . . . 94 GLY CA . 16080 1 20 . 1 1 5 5 GLY N N 15 109.089 0.3 . 1 . . . . . 94 GLY N . 16080 1 21 . 1 1 6 6 THR H H 1 8.168 0.020 . 1 . . . . . 95 THR H . 16080 1 22 . 1 1 6 6 THR CA C 13 61.612 0.3 . 1 . . . . . 95 THR CA . 16080 1 23 . 1 1 6 6 THR N N 15 113.642 0.3 . 1 . . . . . 95 THR N . 16080 1 24 . 1 1 8 8 ASN C C 13 175.257 0.3 . 1 . . . . . 97 ASN C . 16080 1 25 . 1 1 8 8 ASN CA C 13 52.755 0.3 . 1 . . . . . 97 ASN CA . 16080 1 26 . 1 1 9 9 GLN H H 1 8.374 0.020 . 1 . . . . . 98 GLN H . 16080 1 27 . 1 1 9 9 GLN C C 13 175.757 0.3 . 1 . . . . . 98 GLN C . 16080 1 28 . 1 1 9 9 GLN CA C 13 55.750 0.3 . 1 . . . . . 98 GLN CA . 16080 1 29 . 1 1 9 9 GLN N N 15 120.456 0.3 . 1 . . . . . 98 GLN N . 16080 1 30 . 1 1 10 10 TRP H H 1 8.087 0.020 . 1 . . . . . 99 TRP H . 16080 1 31 . 1 1 10 10 TRP C C 13 175.875 0.3 . 1 . . . . . 99 TRP C . 16080 1 32 . 1 1 10 10 TRP CA C 13 56.788 0.3 . 1 . . . . . 99 TRP CA . 16080 1 33 . 1 1 10 10 TRP N N 15 121.222 0.3 . 1 . . . . . 99 TRP N . 16080 1 34 . 1 1 11 11 ASN H H 1 8.081 0.020 . 1 . . . . . 100 ASN H . 16080 1 35 . 1 1 11 11 ASN C C 13 174.343 0.3 . 1 . . . . . 100 ASN C . 16080 1 36 . 1 1 11 11 ASN CA C 13 52.420 0.3 . 1 . . . . . 100 ASN CA . 16080 1 37 . 1 1 11 11 ASN N N 15 120.242 0.3 . 1 . . . . . 100 ASN N . 16080 1 38 . 1 1 12 12 LYS H H 1 8.026 0.020 . 1 . . . . . 101 LYS H . 16080 1 39 . 1 1 12 12 LYS C C 13 178.782 0.3 . 1 . . . . . 101 LYS C . 16080 1 40 . 1 1 12 12 LYS CA C 13 53.844 0.3 . 1 . . . . . 101 LYS CA . 16080 1 41 . 1 1 12 12 LYS N N 15 122.752 0.3 . 1 . . . . . 101 LYS N . 16080 1 42 . 1 1 13 13 PRO C C 13 176.970 0.3 . 1 . . . . . 102 PRO C . 16080 1 43 . 1 1 13 13 PRO CA C 13 62.733 0.3 . 1 . . . . . 102 PRO CA . 16080 1 44 . 1 1 14 14 SER H H 1 8.480 0.020 . 1 . . . . . 103 SER H . 16080 1 45 . 1 1 14 14 SER C C 13 174.147 0.3 . 1 . . . . . 103 SER C . 16080 1 46 . 1 1 14 14 SER CA C 13 57.700 0.3 . 1 . . . . . 103 SER CA . 16080 1 47 . 1 1 14 14 SER N N 15 117.211 0.3 . 1 . . . . . 103 SER N . 16080 1 48 . 1 1 15 15 LYS H H 1 8.369 0.020 . 1 . . . . . 104 LYS H . 16080 1 49 . 1 1 15 15 LYS C C 13 174.462 0.3 . 1 . . . . . 104 LYS C . 16080 1 50 . 1 1 15 15 LYS CA C 13 53.825 0.3 . 1 . . . . . 104 LYS CA . 16080 1 51 . 1 1 15 15 LYS N N 15 124.493 0.3 . 1 . . . . . 104 LYS N . 16080 1 52 . 1 1 16 16 PRO C C 13 176.824 0.3 . 1 . . . . . 105 PRO C . 16080 1 53 . 1 1 16 16 PRO CA C 13 62.582 0.3 . 1 . . . . . 105 PRO CA . 16080 1 54 . 1 1 17 17 LYS H H 1 8.571 0.020 . 1 . . . . . 106 LYS H . 16080 1 55 . 1 1 17 17 LYS C C 13 176.804 0.3 . 1 . . . . . 106 LYS C . 16080 1 56 . 1 1 17 17 LYS CA C 13 56.006 0.3 . 1 . . . . . 106 LYS CA . 16080 1 57 . 1 1 17 17 LYS N N 15 122.432 0.3 . 1 . . . . . 106 LYS N . 16080 1 58 . 1 1 18 18 THR H H 1 8.173 0.020 . 1 . . . . . 107 THR H . 16080 1 59 . 1 1 18 18 THR C C 13 173.951 0.3 . 1 . . . . . 107 THR C . 16080 1 60 . 1 1 18 18 THR CA C 13 61.142 0.3 . 1 . . . . . 107 THR CA . 16080 1 61 . 1 1 18 18 THR N N 15 115.559 0.3 . 1 . . . . . 107 THR N . 16080 1 62 . 1 1 19 19 ASN H H 1 8.549 0.020 . 1 . . . . . 108 ASN H . 16080 1 63 . 1 1 19 19 ASN C C 13 174.697 0.3 . 1 . . . . . 108 ASN C . 16080 1 64 . 1 1 19 19 ASN CA C 13 52.692 0.3 . 1 . . . . . 108 ASN CA . 16080 1 65 . 1 1 19 19 ASN N N 15 121.547 0.3 . 1 . . . . . 108 ASN N . 16080 1 66 . 1 1 20 20 LEU H H 1 8.216 0.020 . 1 . . . . . 109 LEU H . 16080 1 67 . 1 1 20 20 LEU C C 13 176.791 0.3 . 1 . . . . . 109 LEU C . 16080 1 68 . 1 1 20 20 LEU CA C 13 54.821 0.3 . 1 . . . . . 109 LEU CA . 16080 1 69 . 1 1 20 20 LEU N N 15 123.208 0.3 . 1 . . . . . 109 LEU N . 16080 1 70 . 1 1 21 21 ILE H H 1 8.211 0.020 . 1 . . . . . 110 ILE H . 16080 1 71 . 1 1 21 21 ILE C C 13 175.835 0.3 . 1 . . . . . 110 ILE C . 16080 1 72 . 1 1 21 21 ILE CA C 13 60.543 0.3 . 1 . . . . . 110 ILE CA . 16080 1 73 . 1 1 21 21 ILE N N 15 123.300 0.3 . 1 . . . . . 110 ILE N . 16080 1 74 . 1 1 22 22 ILE H H 1 8.325 0.020 . 1 . . . . . 111 ILE H . 16080 1 75 . 1 1 22 22 ILE C C 13 176.058 0.3 . 1 . . . . . 111 ILE C . 16080 1 76 . 1 1 22 22 ILE CA C 13 60.222 0.3 . 1 . . . . . 111 ILE CA . 16080 1 77 . 1 1 22 22 ILE N N 15 126.934 0.3 . 1 . . . . . 111 ILE N . 16080 1 78 . 1 1 23 23 VAL H H 1 8.327 0.020 . 1 . . . . . 112 VAL H . 16080 1 79 . 1 1 23 23 VAL C C 13 175.639 0.3 . 1 . . . . . 112 VAL C . 16080 1 80 . 1 1 23 23 VAL CA C 13 61.617 0.3 . 1 . . . . . 112 VAL CA . 16080 1 81 . 1 1 23 23 VAL N N 15 126.259 0.3 . 1 . . . . . 112 VAL N . 16080 1 82 . 1 1 24 24 ALA H H 1 8.494 0.020 . 1 . . . . . 113 ALA H . 16080 1 83 . 1 1 24 24 ALA C C 13 178.100 0.3 . 1 . . . . . 113 ALA C . 16080 1 84 . 1 1 24 24 ALA CA C 13 52.297 0.3 . 1 . . . . . 113 ALA CA . 16080 1 85 . 1 1 24 24 ALA N N 15 128.919 0.3 . 1 . . . . . 113 ALA N . 16080 1 86 . 1 1 25 25 GLY H H 1 8.432 0.020 . 1 . . . . . 114 GLY H . 16080 1 87 . 1 1 25 25 GLY C C 13 174.003 0.3 . 1 . . . . . 114 GLY C . 16080 1 88 . 1 1 25 25 GLY CA C 13 44.827 0.3 . 1 . . . . . 114 GLY CA . 16080 1 89 . 1 1 25 25 GLY N N 15 108.976 0.3 . 1 . . . . . 114 GLY N . 16080 1 90 . 1 1 26 26 ALA H H 1 8.163 0.020 . 1 . . . . . 115 ALA H . 16080 1 91 . 1 1 26 26 ALA C C 13 177.707 0.3 . 1 . . . . . 115 ALA C . 16080 1 92 . 1 1 26 26 ALA CA C 13 52.193 0.3 . 1 . . . . . 115 ALA CA . 16080 1 93 . 1 1 26 26 ALA N N 15 124.083 0.3 . 1 . . . . . 115 ALA N . 16080 1 94 . 1 1 27 27 ALA H H 1 8.328 0.020 . 1 . . . . . 116 ALA H . 16080 1 95 . 1 1 27 27 ALA C C 13 177.694 0.3 . 1 . . . . . 116 ALA C . 16080 1 96 . 1 1 27 27 ALA CA C 13 52.103 0.3 . 1 . . . . . 116 ALA CA . 16080 1 97 . 1 1 27 27 ALA N N 15 123.362 0.3 . 1 . . . . . 116 ALA N . 16080 1 98 . 1 1 28 28 ALA H H 1 8.228 0.020 . 1 . . . . . 117 ALA H . 16080 1 99 . 1 1 28 28 ALA C C 13 177.629 0.3 . 1 . . . . . 117 ALA C . 16080 1 100 . 1 1 28 28 ALA CA C 13 52.051 0.3 . 1 . . . . . 117 ALA CA . 16080 1 101 . 1 1 28 28 ALA N N 15 123.536 0.3 . 1 . . . . . 117 ALA N . 16080 1 102 . 1 1 29 29 ALA H H 1 8.257 0.020 . 1 . . . . . 118 ALA H . 16080 1 103 . 1 1 29 29 ALA C C 13 178.270 0.3 . 1 . . . . . 118 ALA C . 16080 1 104 . 1 1 29 29 ALA CA C 13 52.342 0.3 . 1 . . . . . 118 ALA CA . 16080 1 105 . 1 1 29 29 ALA N N 15 123.469 0.3 . 1 . . . . . 118 ALA N . 16080 1 106 . 1 1 30 30 GLY H H 1 8.324 0.020 . 1 . . . . . 119 GLY H . 16080 1 107 . 1 1 30 30 GLY C C 13 173.715 0.3 . 1 . . . . . 119 GLY C . 16080 1 108 . 1 1 30 30 GLY CA C 13 44.786 0.3 . 1 . . . . . 119 GLY CA . 16080 1 109 . 1 1 30 30 GLY N N 15 108.202 0.3 . 1 . . . . . 119 GLY N . 16080 1 110 . 1 1 31 31 ALA H H 1 8.088 0.020 . 1 . . . . . 120 ALA H . 16080 1 111 . 1 1 31 31 ALA C C 13 177.602 0.3 . 1 . . . . . 120 ALA C . 16080 1 112 . 1 1 31 31 ALA CA C 13 51.963 0.3 . 1 . . . . . 120 ALA CA . 16080 1 113 . 1 1 31 31 ALA N N 15 123.814 0.3 . 1 . . . . . 120 ALA N . 16080 1 114 . 1 1 32 32 VAL H H 1 8.160 0.020 . 1 . . . . . 121 VAL H . 16080 1 115 . 1 1 32 32 VAL C C 13 176.398 0.3 . 1 . . . . . 121 VAL C . 16080 1 116 . 1 1 32 32 VAL CA C 13 61.779 0.3 . 1 . . . . . 121 VAL CA . 16080 1 117 . 1 1 32 32 VAL N N 15 119.863 0.3 . 1 . . . . . 121 VAL N . 16080 1 118 . 1 1 33 33 VAL H H 1 8.317 0.020 . 1 . . . . . 122 VAL H . 16080 1 119 . 1 1 33 33 VAL C C 13 176.673 0.3 . 1 . . . . . 122 VAL C . 16080 1 120 . 1 1 33 33 VAL CA C 13 62.141 0.3 . 1 . . . . . 122 VAL CA . 16080 1 121 . 1 1 33 33 VAL N N 15 125.002 0.3 . 1 . . . . . 122 VAL N . 16080 1 122 . 1 1 34 34 GLY H H 1 8.608 0.020 . 1 . . . . . 123 GLY H . 16080 1 123 . 1 1 34 34 GLY C C 13 174.723 0.3 . 1 . . . . . 123 GLY C . 16080 1 124 . 1 1 34 34 GLY CA C 13 45.003 0.3 . 1 . . . . . 123 GLY CA . 16080 1 125 . 1 1 34 34 GLY N N 15 113.641 0.3 . 1 . . . . . 123 GLY N . 16080 1 126 . 1 1 35 35 GLY H H 1 8.299 0.020 . 1 . . . . . 124 GLY H . 16080 1 127 . 1 1 35 35 GLY C C 13 174.356 0.3 . 1 . . . . . 124 GLY C . 16080 1 128 . 1 1 35 35 GLY CA C 13 44.924 0.3 . 1 . . . . . 124 GLY CA . 16080 1 129 . 1 1 35 35 GLY N N 15 108.688 0.3 . 1 . . . . . 124 GLY N . 16080 1 130 . 1 1 36 36 LEU H H 1 8.245 0.020 . 1 . . . . . 125 LEU H . 16080 1 131 . 1 1 36 36 LEU C C 13 177.943 0.3 . 1 . . . . . 125 LEU C . 16080 1 132 . 1 1 36 36 LEU CA C 13 54.472 0.3 . 1 . . . . . 125 LEU CA . 16080 1 133 . 1 1 36 36 LEU N N 15 121.968 0.3 . 1 . . . . . 125 LEU N . 16080 1 134 . 1 1 37 37 GLY H H 1 8.579 0.020 . 1 . . . . . 126 GLY H . 16080 1 135 . 1 1 37 37 GLY C C 13 174.801 0.3 . 1 . . . . . 126 GLY C . 16080 1 136 . 1 1 37 37 GLY CA C 13 45.842 0.3 . 1 . . . . . 126 GLY CA . 16080 1 137 . 1 1 37 37 GLY N N 15 110.174 0.3 . 1 . . . . . 126 GLY N . 16080 1 138 . 1 1 38 38 GLY H H 1 8.413 0.020 . 1 . . . . . 127 GLY H . 16080 1 139 . 1 1 38 38 GLY C C 13 173.950 0.3 . 1 . . . . . 127 GLY C . 16080 1 140 . 1 1 38 38 GLY CA C 13 44.764 0.3 . 1 . . . . . 127 GLY CA . 16080 1 141 . 1 1 38 38 GLY N N 15 109.541 0.3 . 1 . . . . . 127 GLY N . 16080 1 142 . 1 1 39 39 TYR H H 1 7.888 0.020 . 1 . . . . . 128 TYR H . 16080 1 143 . 1 1 39 39 TYR C C 13 175.731 0.3 . 1 . . . . . 128 TYR C . 16080 1 144 . 1 1 39 39 TYR CA C 13 57.961 0.3 . 1 . . . . . 128 TYR CA . 16080 1 145 . 1 1 39 39 TYR N N 15 118.246 0.3 . 1 . . . . . 128 TYR N . 16080 1 146 . 1 1 40 40 MET H H 1 9.135 0.020 . 1 . . . . . 129 MET H . 16080 1 147 . 1 1 40 40 MET C C 13 172.943 0.3 . 1 . . . . . 129 MET C . 16080 1 148 . 1 1 40 40 MET CA C 13 53.268 0.3 . 1 . . . . . 129 MET CA . 16080 1 149 . 1 1 40 40 MET N N 15 121.669 0.3 . 1 . . . . . 129 MET N . 16080 1 150 . 1 1 41 41 LEU H H 1 8.067 0.020 . 1 . . . . . 130 LEU H . 16080 1 151 . 1 1 41 41 LEU C C 13 178.191 0.3 . 1 . . . . . 130 LEU C . 16080 1 152 . 1 1 41 41 LEU CA C 13 52.921 0.3 . 1 . . . . . 130 LEU CA . 16080 1 153 . 1 1 41 41 LEU N N 15 121.426 0.3 . 1 . . . . . 130 LEU N . 16080 1 154 . 1 1 42 42 GLY H H 1 9.429 0.020 . 1 . . . . . 131 GLY H . 16080 1 155 . 1 1 42 42 GLY C C 13 172.825 0.3 . 1 . . . . . 131 GLY C . 16080 1 156 . 1 1 42 42 GLY CA C 13 44.525 0.3 . 1 . . . . . 131 GLY CA . 16080 1 157 . 1 1 42 42 GLY N N 15 115.478 0.3 . 1 . . . . . 131 GLY N . 16080 1 158 . 1 1 43 43 SER H H 1 8.344 0.020 . 1 . . . . . 132 SER H . 16080 1 159 . 1 1 43 43 SER C C 13 174.961 0.3 . 1 . . . . . 132 SER C . 16080 1 160 . 1 1 43 43 SER CA C 13 58.200 0.3 . 1 . . . . . 132 SER CA . 16080 1 161 . 1 1 43 43 SER N N 15 113.994 0.3 . 1 . . . . . 132 SER N . 16080 1 162 . 1 1 44 44 ALA H H 1 8.753 0.020 . 1 . . . . . 133 ALA H . 16080 1 163 . 1 1 44 44 ALA C C 13 177.509 0.3 . 1 . . . . . 133 ALA C . 16080 1 164 . 1 1 44 44 ALA CA C 13 52.567 0.3 . 1 . . . . . 133 ALA CA . 16080 1 165 . 1 1 44 44 ALA N N 15 125.790 0.3 . 1 . . . . . 133 ALA N . 16080 1 166 . 1 1 45 45 MET H H 1 8.804 0.020 . 1 . . . . . 134 MET H . 16080 1 167 . 1 1 45 45 MET C C 13 175.609 0.3 . 1 . . . . . 134 MET C . 16080 1 168 . 1 1 45 45 MET CA C 13 53.541 0.3 . 1 . . . . . 134 MET CA . 16080 1 169 . 1 1 45 45 MET N N 15 121.594 0.3 . 1 . . . . . 134 MET N . 16080 1 170 . 1 1 46 46 SER H H 1 8.468 0.020 . 1 . . . . . 135 SER H . 16080 1 171 . 1 1 46 46 SER C C 13 174.422 0.3 . 1 . . . . . 135 SER C . 16080 1 172 . 1 1 46 46 SER CA C 13 58.280 0.3 . 1 . . . . . 135 SER CA . 16080 1 173 . 1 1 46 46 SER N N 15 116.488 0.3 . 1 . . . . . 135 SER N . 16080 1 174 . 1 1 47 47 ARG H H 1 8.698 0.020 . 1 . . . . . 136 ARG H . 16080 1 175 . 1 1 47 47 ARG C C 13 174.633 0.3 . 1 . . . . . 136 ARG C . 16080 1 176 . 1 1 47 47 ARG CA C 13 54.422 0.3 . 1 . . . . . 136 ARG CA . 16080 1 177 . 1 1 47 47 ARG N N 15 127.075 0.3 . 1 . . . . . 136 ARG N . 16080 1 178 . 1 1 48 48 PRO C C 13 175.704 0.3 . 1 . . . . . 137 PRO C . 16080 1 179 . 1 1 48 48 PRO CA C 13 61.962 0.3 . 1 . . . . . 137 PRO CA . 16080 1 180 . 1 1 49 49 MET H H 1 8.723 0.020 . 1 . . . . . 138 MET H . 16080 1 181 . 1 1 49 49 MET C C 13 175.027 0.3 . 1 . . . . . 138 MET C . 16080 1 182 . 1 1 49 49 MET CA C 13 53.694 0.3 . 1 . . . . . 138 MET CA . 16080 1 183 . 1 1 49 49 MET N N 15 122.169 0.3 . 1 . . . . . 138 MET N . 16080 1 184 . 1 1 50 50 ILE H H 1 6.584 0.020 . 1 . . . . . 139 ILE H . 16080 1 185 . 1 1 50 50 ILE C C 13 173.110 0.3 . 1 . . . . . 139 ILE C . 16080 1 186 . 1 1 50 50 ILE CA C 13 58.778 0.3 . 1 . . . . . 139 ILE CA . 16080 1 187 . 1 1 50 50 ILE N N 15 124.629 0.3 . 1 . . . . . 139 ILE N . 16080 1 188 . 1 1 51 51 HIS H H 1 8.112 0.020 . 1 . . . . . 140 HIS H . 16080 1 189 . 1 1 51 51 HIS C C 13 175.286 0.3 . 1 . . . . . 140 HIS C . 16080 1 190 . 1 1 51 51 HIS CA C 13 54.382 0.3 . 1 . . . . . 140 HIS CA . 16080 1 191 . 1 1 51 51 HIS N N 15 123.213 0.3 . 1 . . . . . 140 HIS N . 16080 1 192 . 1 1 52 52 PHE H H 1 10.372 0.020 . 1 . . . . . 141 PHE H . 16080 1 193 . 1 1 52 52 PHE C C 13 177.105 0.3 . 1 . . . . . 141 PHE C . 16080 1 194 . 1 1 52 52 PHE CA C 13 59.264 0.3 . 1 . . . . . 141 PHE CA . 16080 1 195 . 1 1 52 52 PHE N N 15 125.408 0.3 . 1 . . . . . 141 PHE N . 16080 1 196 . 1 1 53 53 GLY H H 1 8.944 0.020 . 1 . . . . . 142 GLY H . 16080 1 197 . 1 1 53 53 GLY C C 13 173.283 0.3 . 1 . . . . . 142 GLY C . 16080 1 198 . 1 1 53 53 GLY CA C 13 45.375 0.3 . 1 . . . . . 142 GLY CA . 16080 1 199 . 1 1 53 53 GLY N N 15 109.344 0.3 . 1 . . . . . 142 GLY N . 16080 1 200 . 1 1 54 54 ASN H H 1 7.259 0.020 . 1 . . . . . 143 ASN H . 16080 1 201 . 1 1 54 54 ASN C C 13 174.343 0.3 . 1 . . . . . 143 ASN C . 16080 1 202 . 1 1 54 54 ASN CA C 13 52.164 0.3 . 1 . . . . . 143 ASN CA . 16080 1 203 . 1 1 54 54 ASN N N 15 114.504 0.3 . 1 . . . . . 143 ASN N . 16080 1 204 . 1 1 55 55 ASP H H 1 9.032 0.020 . 1 . . . . . 144 ASP H . 16080 1 205 . 1 1 55 55 ASP C C 13 177.890 0.3 . 1 . . . . . 144 ASP C . 16080 1 206 . 1 1 55 55 ASP CA C 13 57.477 0.3 . 1 . . . . . 144 ASP CA . 16080 1 207 . 1 1 55 55 ASP N N 15 123.496 0.3 . 1 . . . . . 144 ASP N . 16080 1 208 . 1 1 56 56 TRP H H 1 8.561 0.020 . 1 . . . . . 145 TRP H . 16080 1 209 . 1 1 56 56 TRP C C 13 179.134 0.3 . 1 . . . . . 145 TRP C . 16080 1 210 . 1 1 56 56 TRP CA C 13 61.440 0.3 . 1 . . . . . 145 TRP CA . 16080 1 211 . 1 1 56 56 TRP N N 15 120.567 0.3 . 1 . . . . . 145 TRP N . 16080 1 212 . 1 1 57 57 GLU H H 1 8.130 0.020 . 1 . . . . . 146 GLU H . 16080 1 213 . 1 1 57 57 GLU C C 13 177.707 0.3 . 1 . . . . . 146 GLU C . 16080 1 214 . 1 1 57 57 GLU CA C 13 59.624 0.3 . 1 . . . . . 146 GLU CA . 16080 1 215 . 1 1 57 57 GLU N N 15 120.805 0.3 . 1 . . . . . 146 GLU N . 16080 1 216 . 1 1 58 58 ASP H H 1 7.912 0.020 . 1 . . . . . 147 ASP H . 16080 1 217 . 1 1 58 58 ASP C C 13 179.056 0.3 . 1 . . . . . 147 ASP C . 16080 1 218 . 1 1 58 58 ASP CA C 13 58.197 0.3 . 1 . . . . . 147 ASP CA . 16080 1 219 . 1 1 58 58 ASP N N 15 119.055 0.3 . 1 . . . . . 147 ASP N . 16080 1 220 . 1 1 59 59 ARG H H 1 8.039 0.020 . 1 . . . . . 148 ARG H . 16080 1 221 . 1 1 59 59 ARG C C 13 177.572 0.3 . 1 . . . . . 148 ARG C . 16080 1 222 . 1 1 59 59 ARG CA C 13 59.281 0.3 . 1 . . . . . 148 ARG CA . 16080 1 223 . 1 1 59 59 ARG N N 15 119.965 0.3 . 1 . . . . . 148 ARG N . 16080 1 224 . 1 1 60 60 TYR H H 1 8.266 0.020 . 1 . . . . . 149 TYR H . 16080 1 225 . 1 1 60 60 TYR C C 13 179.579 0.3 . 1 . . . . . 149 TYR C . 16080 1 226 . 1 1 60 60 TYR CA C 13 61.823 0.3 . 1 . . . . . 149 TYR CA . 16080 1 227 . 1 1 60 60 TYR N N 15 121.039 0.3 . 1 . . . . . 149 TYR N . 16080 1 228 . 1 1 61 61 TYR H H 1 9.031 0.020 . 1 . . . . . 150 TYR H . 16080 1 229 . 1 1 61 61 TYR C C 13 177.013 0.3 . 1 . . . . . 150 TYR C . 16080 1 230 . 1 1 61 61 TYR CA C 13 62.727 0.3 . 1 . . . . . 150 TYR CA . 16080 1 231 . 1 1 61 61 TYR N N 15 120.755 0.3 . 1 . . . . . 150 TYR N . 16080 1 232 . 1 1 62 62 ARG H H 1 7.891 0.020 . 1 . . . . . 151 ARG H . 16080 1 233 . 1 1 62 62 ARG C C 13 179.121 0.3 . 1 . . . . . 151 ARG C . 16080 1 234 . 1 1 62 62 ARG CA C 13 59.611 0.3 . 1 . . . . . 151 ARG CA . 16080 1 235 . 1 1 62 62 ARG N N 15 117.555 0.3 . 1 . . . . . 151 ARG N . 16080 1 236 . 1 1 63 63 GLU H H 1 7.926 0.020 . 1 . . . . . 152 GLU H . 16080 1 237 . 1 1 63 63 GLU C C 13 177.615 0.3 . 1 . . . . . 152 GLU C . 16080 1 238 . 1 1 63 63 GLU CA C 13 57.477 0.3 . 1 . . . . . 152 GLU CA . 16080 1 239 . 1 1 63 63 GLU N N 15 116.103 0.3 . 1 . . . . . 152 GLU N . 16080 1 240 . 1 1 64 64 ASN H H 1 7.565 0.020 . 1 . . . . . 153 ASN H . 16080 1 241 . 1 1 64 64 ASN C C 13 175.484 0.3 . 1 . . . . . 153 ASN C . 16080 1 242 . 1 1 64 64 ASN CA C 13 54.548 0.3 . 1 . . . . . 153 ASN CA . 16080 1 243 . 1 1 64 64 ASN N N 15 115.431 0.3 . 1 . . . . . 153 ASN N . 16080 1 244 . 1 1 65 65 MET H H 1 7.894 0.020 . 1 . . . . . 154 MET H . 16080 1 245 . 1 1 65 65 MET C C 13 176.385 0.3 . 1 . . . . . 154 MET C . 16080 1 246 . 1 1 65 65 MET CA C 13 58.773 0.3 . 1 . . . . . 154 MET CA . 16080 1 247 . 1 1 65 65 MET N N 15 118.624 0.3 . 1 . . . . . 154 MET N . 16080 1 248 . 1 1 66 66 TYR H H 1 7.598 0.020 . 1 . . . . . 155 TYR H . 16080 1 249 . 1 1 66 66 TYR C C 13 175.875 0.3 . 1 . . . . . 155 TYR C . 16080 1 250 . 1 1 66 66 TYR CA C 13 58.877 0.3 . 1 . . . . . 155 TYR CA . 16080 1 251 . 1 1 66 66 TYR N N 15 116.817 0.3 . 1 . . . . . 155 TYR N . 16080 1 252 . 1 1 67 67 ARG H H 1 7.519 0.020 . 1 . . . . . 156 ARG H . 16080 1 253 . 1 1 67 67 ARG C C 13 176.804 0.3 . 1 . . . . . 156 ARG C . 16080 1 254 . 1 1 67 67 ARG CA C 13 55.971 0.3 . 1 . . . . . 156 ARG CA . 16080 1 255 . 1 1 67 67 ARG N N 15 119.171 0.3 . 1 . . . . . 156 ARG N . 16080 1 256 . 1 1 68 68 TYR H H 1 7.457 0.020 . 1 . . . . . 157 TYR H . 16080 1 257 . 1 1 68 68 TYR C C 13 172.781 0.3 . 1 . . . . . 157 TYR C . 16080 1 258 . 1 1 68 68 TYR CA C 13 52.319 0.3 . 1 . . . . . 157 TYR CA . 16080 1 259 . 1 1 68 68 TYR N N 15 121.712 0.3 . 1 . . . . . 157 TYR N . 16080 1 260 . 1 1 69 69 PRO C C 13 175.079 0.3 . 1 . . . . . 158 PRO C . 16080 1 261 . 1 1 69 69 PRO CA C 13 63.143 0.3 . 1 . . . . . 158 PRO CA . 16080 1 262 . 1 1 70 70 ASN H H 1 8.649 0.020 . 1 . . . . . 159 ASN H . 16080 1 263 . 1 1 70 70 ASN C C 13 172.825 0.3 . 1 . . . . . 159 ASN C . 16080 1 264 . 1 1 70 70 ASN CA C 13 51.631 0.3 . 1 . . . . . 159 ASN CA . 16080 1 265 . 1 1 70 70 ASN N N 15 116.481 0.3 . 1 . . . . . 159 ASN N . 16080 1 266 . 1 1 71 71 GLN H H 1 7.298 0.020 . 1 . . . . . 160 GLN H . 16080 1 267 . 1 1 71 71 GLN C C 13 174.988 0.3 . 1 . . . . . 160 GLN C . 16080 1 268 . 1 1 71 71 GLN CA C 13 53.803 0.3 . 1 . . . . . 160 GLN CA . 16080 1 269 . 1 1 71 71 GLN N N 15 114.509 0.3 . 1 . . . . . 160 GLN N . 16080 1 270 . 1 1 72 72 VAL H H 1 8.483 0.020 . 1 . . . . . 161 VAL H . 16080 1 271 . 1 1 72 72 VAL C C 13 174.147 0.3 . 1 . . . . . 161 VAL C . 16080 1 272 . 1 1 72 72 VAL CA C 13 58.292 0.3 . 1 . . . . . 161 VAL CA . 16080 1 273 . 1 1 72 72 VAL N N 15 113.013 0.3 . 1 . . . . . 161 VAL N . 16080 1 274 . 1 1 73 73 TYR H H 1 8.477 0.020 . 1 . . . . . 162 TYR H . 16080 1 275 . 1 1 73 73 TYR C C 13 174.710 0.3 . 1 . . . . . 162 TYR C . 16080 1 276 . 1 1 73 73 TYR CA C 13 56.716 0.3 . 1 . . . . . 162 TYR CA . 16080 1 277 . 1 1 73 73 TYR N N 15 121.826 0.3 . 1 . . . . . 162 TYR N . 16080 1 278 . 1 1 74 74 TYR H H 1 8.521 0.020 . 1 . . . . . 163 TYR H . 16080 1 279 . 1 1 74 74 TYR C C 13 173.584 0.3 . 1 . . . . . 163 TYR C . 16080 1 280 . 1 1 74 74 TYR CA C 13 55.529 0.3 . 1 . . . . . 163 TYR CA . 16080 1 281 . 1 1 74 74 TYR N N 15 111.261 0.3 . 1 . . . . . 163 TYR N . 16080 1 282 . 1 1 75 75 ARG H H 1 7.947 0.020 . 1 . . . . . 164 ARG H . 16080 1 283 . 1 1 75 75 ARG C C 13 178.139 0.3 . 1 . . . . . 164 ARG C . 16080 1 284 . 1 1 75 75 ARG CA C 13 53.140 0.3 . 1 . . . . . 164 ARG CA . 16080 1 285 . 1 1 75 75 ARG N N 15 120.845 0.3 . 1 . . . . . 164 ARG N . 16080 1 286 . 1 1 81 81 SER CA C 13 58.374 0.3 . 1 . . . . . 170 SER CA . 16080 1 287 . 1 1 82 82 ASN C C 13 173.990 0.3 . 1 . . . . . 171 ASN C . 16080 1 288 . 1 1 82 82 ASN CA C 13 51.817 0.3 . 1 . . . . . 171 ASN CA . 16080 1 289 . 1 1 83 83 GLN H H 1 8.660 0.020 . 1 . . . . . 172 GLN H . 16080 1 290 . 1 1 83 83 GLN C C 13 176.905 0.3 . 1 . . . . . 172 GLN C . 16080 1 291 . 1 1 83 83 GLN CA C 13 58.871 0.3 . 1 . . . . . 172 GLN CA . 16080 1 292 . 1 1 83 83 GLN N N 15 120.325 0.3 . 1 . . . . . 172 GLN N . 16080 1 293 . 1 1 84 84 ASN H H 1 8.424 0.020 . 1 . . . . . 173 ASN H . 16080 1 294 . 1 1 84 84 ASN C C 13 177.706 0.3 . 1 . . . . . 173 ASN C . 16080 1 295 . 1 1 84 84 ASN CA C 13 56.120 0.3 . 1 . . . . . 173 ASN CA . 16080 1 296 . 1 1 84 84 ASN N N 15 117.359 0.3 . 1 . . . . . 173 ASN N . 16080 1 297 . 1 1 85 85 ASN H H 1 8.592 0.020 . 1 . . . . . 174 ASN H . 16080 1 298 . 1 1 85 85 ASN C C 13 177.338 0.3 . 1 . . . . . 174 ASN C . 16080 1 299 . 1 1 85 85 ASN CA C 13 55.721 0.3 . 1 . . . . . 174 ASN CA . 16080 1 300 . 1 1 85 85 ASN N N 15 118.472 0.3 . 1 . . . . . 174 ASN N . 16080 1 301 . 1 1 86 86 PHE C C 13 177.496 0.3 . 1 . . . . . 175 PHE C . 16080 1 302 . 1 1 86 86 PHE CA C 13 60.417 0.3 . 1 . . . . . 175 PHE CA . 16080 1 303 . 1 1 87 87 VAL H H 1 8.905 0.020 . 1 . . . . . 176 VAL H . 16080 1 304 . 1 1 87 87 VAL C C 13 176.673 0.3 . 1 . . . . . 176 VAL C . 16080 1 305 . 1 1 87 87 VAL CA C 13 67.332 0.3 . 1 . . . . . 176 VAL CA . 16080 1 306 . 1 1 87 87 VAL N N 15 120.616 0.3 . 1 . . . . . 176 VAL N . 16080 1 307 . 1 1 88 88 HIS H H 1 8.377 0.020 . 1 . . . . . 177 HIS H . 16080 1 308 . 1 1 88 88 HIS C C 13 177.602 0.3 . 1 . . . . . 177 HIS C . 16080 1 309 . 1 1 88 88 HIS CA C 13 59.560 0.3 . 1 . . . . . 177 HIS CA . 16080 1 310 . 1 1 88 88 HIS N N 15 117.905 0.3 . 1 . . . . . 177 HIS N . 16080 1 311 . 1 1 89 89 ASP H H 1 7.438 0.020 . 1 . . . . . 178 ASP H . 16080 1 312 . 1 1 89 89 ASP C C 13 175.848 0.3 . 1 . . . . . 178 ASP C . 16080 1 313 . 1 1 89 89 ASP CA C 13 56.779 0.3 . 1 . . . . . 178 ASP CA . 16080 1 314 . 1 1 89 89 ASP N N 15 118.340 0.3 . 1 . . . . . 178 ASP N . 16080 1 315 . 1 1 90 90 CYS H H 1 8.161 0.020 . 1 . . . . . 179 CYS H . 16080 1 316 . 1 1 90 90 CYS C C 13 177.524 0.3 . 1 . . . . . 179 CYS C . 16080 1 317 . 1 1 90 90 CYS CA C 13 58.325 0.3 . 1 . . . . . 179 CYS CA . 16080 1 318 . 1 1 90 90 CYS N N 15 119.188 0.3 . 1 . . . . . 179 CYS N . 16080 1 319 . 1 1 91 91 VAL H H 1 9.301 0.020 . 1 . . . . . 180 VAL H . 16080 1 320 . 1 1 91 91 VAL C C 13 177.236 0.3 . 1 . . . . . 180 VAL C . 16080 1 321 . 1 1 91 91 VAL CA C 13 65.783 0.3 . 1 . . . . . 180 VAL CA . 16080 1 322 . 1 1 91 91 VAL N N 15 125.178 0.3 . 1 . . . . . 180 VAL N . 16080 1 323 . 1 1 92 92 ASN H H 1 7.600 0.020 . 1 . . . . . 181 ASN H . 16080 1 324 . 1 1 92 92 ASN C C 13 178.466 0.3 . 1 . . . . . 181 ASN C . 16080 1 325 . 1 1 92 92 ASN CA C 13 56.420 0.3 . 1 . . . . . 181 ASN CA . 16080 1 326 . 1 1 92 92 ASN N N 15 116.537 0.3 . 1 . . . . . 181 ASN N . 16080 1 327 . 1 1 93 93 ILE H H 1 8.801 0.020 . 1 . . . . . 182 ILE H . 16080 1 328 . 1 1 93 93 ILE C C 13 177.903 0.3 . 1 . . . . . 182 ILE C . 16080 1 329 . 1 1 93 93 ILE CA C 13 61.717 0.3 . 1 . . . . . 182 ILE CA . 16080 1 330 . 1 1 93 93 ILE N N 15 119.168 0.3 . 1 . . . . . 182 ILE N . 16080 1 331 . 1 1 94 94 THR H H 1 8.169 0.020 . 1 . . . . . 183 THR H . 16080 1 332 . 1 1 94 94 THR C C 13 177.694 0.3 . 1 . . . . . 183 THR C . 16080 1 333 . 1 1 94 94 THR CA C 13 68.206 0.3 . 1 . . . . . 183 THR CA . 16080 1 334 . 1 1 94 94 THR N N 15 118.234 0.3 . 1 . . . . . 183 THR N . 16080 1 335 . 1 1 95 95 ILE H H 1 8.480 0.020 . 1 . . . . . 184 ILE H . 16080 1 336 . 1 1 95 95 ILE C C 13 178.848 0.3 . 1 . . . . . 184 ILE C . 16080 1 337 . 1 1 95 95 ILE CA C 13 66.138 0.3 . 1 . . . . . 184 ILE CA . 16080 1 338 . 1 1 95 95 ILE N N 15 121.308 0.3 . 1 . . . . . 184 ILE N . 16080 1 339 . 1 1 96 96 LYS H H 1 8.148 0.020 . 1 . . . . . 185 LYS H . 16080 1 340 . 1 1 96 96 LYS C C 13 179.032 0.3 . 1 . . . . . 185 LYS C . 16080 1 341 . 1 1 96 96 LYS CA C 13 59.859 0.3 . 1 . . . . . 185 LYS CA . 16080 1 342 . 1 1 96 96 LYS N N 15 123.720 0.3 . 1 . . . . . 185 LYS N . 16080 1 343 . 1 1 97 97 GLN H H 1 8.557 0.020 . 1 . . . . . 186 GLN H . 16080 1 344 . 1 1 97 97 GLN C C 13 178.665 0.3 . 1 . . . . . 186 GLN C . 16080 1 345 . 1 1 97 97 GLN CA C 13 57.706 0.3 . 1 . . . . . 186 GLN CA . 16080 1 346 . 1 1 97 97 GLN N N 15 117.389 0.3 . 1 . . . . . 186 GLN N . 16080 1 347 . 1 1 98 98 HIS H H 1 8.520 0.020 . 1 . . . . . 187 HIS H . 16080 1 348 . 1 1 98 98 HIS C C 13 178.741 0.3 . 1 . . . . . 187 HIS C . 16080 1 349 . 1 1 98 98 HIS CA C 13 59.490 0.3 . 1 . . . . . 187 HIS CA . 16080 1 350 . 1 1 98 98 HIS N N 15 120.369 0.3 . 1 . . . . . 187 HIS N . 16080 1 351 . 1 1 99 99 THR H H 1 8.537 0.020 . 1 . . . . . 188 THR H . 16080 1 352 . 1 1 99 99 THR C C 13 176.503 0.3 . 1 . . . . . 188 THR C . 16080 1 353 . 1 1 99 99 THR CA C 13 66.433 0.3 . 1 . . . . . 188 THR CA . 16080 1 354 . 1 1 99 99 THR N N 15 115.469 0.3 . 1 . . . . . 188 THR N . 16080 1 355 . 1 1 100 100 VAL H H 1 8.105 0.020 . 1 . . . . . 189 VAL H . 16080 1 356 . 1 1 100 100 VAL C C 13 178.558 0.3 . 1 . . . . . 189 VAL C . 16080 1 357 . 1 1 100 100 VAL CA C 13 66.052 0.3 . 1 . . . . . 189 VAL CA . 16080 1 358 . 1 1 100 100 VAL N N 15 123.511 0.3 . 1 . . . . . 189 VAL N . 16080 1 359 . 1 1 101 101 THR H H 1 8.218 0.020 . 1 . . . . . 190 THR H . 16080 1 360 . 1 1 101 101 THR C C 13 176.760 0.3 . 1 . . . . . 190 THR C . 16080 1 361 . 1 1 101 101 THR CA C 13 65.155 0.3 . 1 . . . . . 190 THR CA . 16080 1 362 . 1 1 101 101 THR N N 15 115.538 0.3 . 1 . . . . . 190 THR N . 16080 1 363 . 1 1 102 102 THR H H 1 8.056 0.020 . 1 . . . . . 191 THR H . 16080 1 364 . 1 1 102 102 THR C C 13 177.154 0.3 . 1 . . . . . 191 THR C . 16080 1 365 . 1 1 102 102 THR CA C 13 64.995 0.3 . 1 . . . . . 191 THR CA . 16080 1 366 . 1 1 102 102 THR N N 15 114.886 0.3 . 1 . . . . . 191 THR N . 16080 1 367 . 1 1 103 103 THR H H 1 8.286 0.020 . 1 . . . . . 192 THR H . 16080 1 368 . 1 1 103 103 THR C C 13 178.045 0.3 . 1 . . . . . 192 THR C . 16080 1 369 . 1 1 103 103 THR CA C 13 65.154 0.3 . 1 . . . . . 192 THR CA . 16080 1 370 . 1 1 103 103 THR N N 15 118.598 0.3 . 1 . . . . . 192 THR N . 16080 1 371 . 1 1 104 104 THR H H 1 7.830 0.020 . 1 . . . . . 193 THR H . 16080 1 372 . 1 1 104 104 THR C C 13 175.168 0.3 . 1 . . . . . 193 THR C . 16080 1 373 . 1 1 104 104 THR CA C 13 64.488 0.3 . 1 . . . . . 193 THR CA . 16080 1 374 . 1 1 104 104 THR N N 15 116.678 0.3 . 1 . . . . . 193 THR N . 16080 1 375 . 1 1 105 105 LYS H H 1 7.463 0.020 . 1 . . . . . 194 LYS H . 16080 1 376 . 1 1 105 105 LYS C C 13 176.708 0.3 . 1 . . . . . 194 LYS C . 16080 1 377 . 1 1 105 105 LYS CA C 13 55.813 0.3 . 1 . . . . . 194 LYS CA . 16080 1 378 . 1 1 105 105 LYS N N 15 119.804 0.3 . 1 . . . . . 194 LYS N . 16080 1 379 . 1 1 106 106 GLY H H 1 7.920 0.020 . 1 . . . . . 195 GLY H . 16080 1 380 . 1 1 106 106 GLY C C 13 174.252 0.3 . 1 . . . . . 195 GLY C . 16080 1 381 . 1 1 106 106 GLY CA C 13 45.138 0.3 . 1 . . . . . 195 GLY CA . 16080 1 382 . 1 1 106 106 GLY N N 15 108.075 0.3 . 1 . . . . . 195 GLY N . 16080 1 383 . 1 1 107 107 GLU H H 1 7.454 0.020 . 1 . . . . . 196 GLU H . 16080 1 384 . 1 1 107 107 GLU C C 13 174.893 0.3 . 1 . . . . . 196 GLU C . 16080 1 385 . 1 1 107 107 GLU CA C 13 55.179 0.3 . 1 . . . . . 196 GLU CA . 16080 1 386 . 1 1 107 107 GLU N N 15 120.417 0.3 . 1 . . . . . 196 GLU N . 16080 1 387 . 1 1 108 108 ASN H H 1 8.564 0.020 . 1 . . . . . 197 ASN H . 16080 1 388 . 1 1 108 108 ASN C C 13 173.571 0.3 . 1 . . . . . 197 ASN C . 16080 1 389 . 1 1 108 108 ASN CA C 13 52.431 0.3 . 1 . . . . . 197 ASN CA . 16080 1 390 . 1 1 108 108 ASN N N 15 119.633 0.3 . 1 . . . . . 197 ASN N . 16080 1 391 . 1 1 109 109 PHE H H 1 8.790 0.020 . 1 . . . . . 198 PHE H . 16080 1 392 . 1 1 109 109 PHE C C 13 176.673 0.3 . 1 . . . . . 198 PHE C . 16080 1 393 . 1 1 109 109 PHE CA C 13 56.077 0.3 . 1 . . . . . 198 PHE CA . 16080 1 394 . 1 1 109 109 PHE N N 15 121.985 0.3 . 1 . . . . . 198 PHE N . 16080 1 395 . 1 1 110 110 THR H H 1 9.609 0.020 . 1 . . . . . 199 THR H . 16080 1 396 . 1 1 110 110 THR C C 13 175.469 0.3 . 1 . . . . . 199 THR C . 16080 1 397 . 1 1 110 110 THR CA C 13 60.014 0.3 . 1 . . . . . 199 THR CA . 16080 1 398 . 1 1 110 110 THR N N 15 116.217 0.3 . 1 . . . . . 199 THR N . 16080 1 399 . 1 1 111 111 GLU H H 1 9.209 0.020 . 1 . . . . . 200 GLU H . 16080 1 400 . 1 1 111 111 GLU C C 13 179.265 0.3 . 1 . . . . . 200 GLU C . 16080 1 401 . 1 1 111 111 GLU CA C 13 59.718 0.3 . 1 . . . . . 200 GLU CA . 16080 1 402 . 1 1 111 111 GLU N N 15 120.154 0.3 . 1 . . . . . 200 GLU N . 16080 1 403 . 1 1 112 112 THR H H 1 7.970 0.020 . 1 . . . . . 201 THR H . 16080 1 404 . 1 1 112 112 THR C C 13 175.668 0.3 . 1 . . . . . 201 THR C . 16080 1 405 . 1 1 112 112 THR CA C 13 66.536 0.3 . 1 . . . . . 201 THR CA . 16080 1 406 . 1 1 112 112 THR N N 15 116.871 0.3 . 1 . . . . . 201 THR N . 16080 1 407 . 1 1 113 113 ASP H H 1 7.536 0.020 . 1 . . . . . 202 ASP H . 16080 1 408 . 1 1 113 113 ASP C C 13 177.615 0.3 . 1 . . . . . 202 ASP C . 16080 1 409 . 1 1 113 113 ASP CA C 13 57.613 0.3 . 1 . . . . . 202 ASP CA . 16080 1 410 . 1 1 113 113 ASP N N 15 120.142 0.3 . 1 . . . . . 202 ASP N . 16080 1 411 . 1 1 114 114 VAL H H 1 8.265 0.020 . 1 . . . . . 203 VAL H . 16080 1 412 . 1 1 114 114 VAL C C 13 177.419 0.3 . 1 . . . . . 203 VAL C . 16080 1 413 . 1 1 114 114 VAL CA C 13 67.472 0.3 . 1 . . . . . 203 VAL CA . 16080 1 414 . 1 1 114 114 VAL N N 15 119.910 0.3 . 1 . . . . . 203 VAL N . 16080 1 415 . 1 1 115 115 LYS H H 1 7.697 0.020 . 1 . . . . . 204 LYS H . 16080 1 416 . 1 1 115 115 LYS C C 13 180.050 0.3 . 1 . . . . . 204 LYS C . 16080 1 417 . 1 1 115 115 LYS CA C 13 58.779 0.3 . 1 . . . . . 204 LYS CA . 16080 1 418 . 1 1 115 115 LYS N N 15 119.263 0.3 . 1 . . . . . 204 LYS N . 16080 1 419 . 1 1 116 116 MET H H 1 8.183 0.020 . 1 . . . . . 205 MET H . 16080 1 420 . 1 1 116 116 MET C C 13 178.204 0.3 . 1 . . . . . 205 MET C . 16080 1 421 . 1 1 116 116 MET CA C 13 59.381 0.3 . 1 . . . . . 205 MET CA . 16080 1 422 . 1 1 116 116 MET N N 15 118.641 0.3 . 1 . . . . . 205 MET N . 16080 1 423 . 1 1 117 117 MET H H 1 8.706 0.020 . 1 . . . . . 206 MET H . 16080 1 424 . 1 1 117 117 MET C C 13 177.799 0.3 . 1 . . . . . 206 MET C . 16080 1 425 . 1 1 117 117 MET CA C 13 59.625 0.3 . 1 . . . . . 206 MET CA . 16080 1 426 . 1 1 117 117 MET N N 15 118.427 0.3 . 1 . . . . . 206 MET N . 16080 1 427 . 1 1 118 118 GLU H H 1 8.586 0.020 . 1 . . . . . 207 GLU H . 16080 1 428 . 1 1 118 118 GLU C C 13 178.741 0.3 . 1 . . . . . 207 GLU C . 16080 1 429 . 1 1 118 118 GLU CA C 13 60.357 0.3 . 1 . . . . . 207 GLU CA . 16080 1 430 . 1 1 118 118 GLU N N 15 119.115 0.3 . 1 . . . . . 207 GLU N . 16080 1 431 . 1 1 119 119 ARG H H 1 7.283 0.020 . 1 . . . . . 208 ARG H . 16080 1 432 . 1 1 119 119 ARG C C 13 179.332 0.3 . 1 . . . . . 208 ARG C . 16080 1 433 . 1 1 119 119 ARG CA C 13 58.072 0.3 . 1 . . . . . 208 ARG CA . 16080 1 434 . 1 1 119 119 ARG N N 15 116.993 0.3 . 1 . . . . . 208 ARG N . 16080 1 435 . 1 1 120 120 VAL H H 1 8.275 0.020 . 1 . . . . . 209 VAL H . 16080 1 436 . 1 1 120 120 VAL C C 13 177.040 0.3 . 1 . . . . . 209 VAL C . 16080 1 437 . 1 1 120 120 VAL CA C 13 65.358 0.3 . 1 . . . . . 209 VAL CA . 16080 1 438 . 1 1 120 120 VAL N N 15 119.299 0.3 . 1 . . . . . 209 VAL N . 16080 1 439 . 1 1 121 121 VAL H H 1 9.171 0.020 . 1 . . . . . 210 VAL H . 16080 1 440 . 1 1 121 121 VAL C C 13 177.615 0.3 . 1 . . . . . 210 VAL C . 16080 1 441 . 1 1 121 121 VAL CA C 13 65.986 0.3 . 1 . . . . . 210 VAL CA . 16080 1 442 . 1 1 121 121 VAL N N 15 121.577 0.3 . 1 . . . . . 210 VAL N . 16080 1 443 . 1 1 122 122 GLU H H 1 8.012 0.020 . 1 . . . . . 211 GLU H . 16080 1 444 . 1 1 122 122 GLU C C 13 177.524 0.3 . 1 . . . . . 211 GLU C . 16080 1 445 . 1 1 122 122 GLU CA C 13 60.869 0.3 . 1 . . . . . 211 GLU CA . 16080 1 446 . 1 1 122 122 GLU N N 15 120.948 0.3 . 1 . . . . . 211 GLU N . 16080 1 447 . 1 1 123 123 GLN H H 1 7.085 0.020 . 1 . . . . . 212 GLN H . 16080 1 448 . 1 1 123 123 GLN C C 13 179.199 0.3 . 1 . . . . . 212 GLN C . 16080 1 449 . 1 1 123 123 GLN CA C 13 58.794 0.3 . 1 . . . . . 212 GLN CA . 16080 1 450 . 1 1 123 123 GLN N N 15 115.472 0.3 . 1 . . . . . 212 GLN N . 16080 1 451 . 1 1 124 124 MET H H 1 8.135 0.020 . 1 . . . . . 213 MET H . 16080 1 452 . 1 1 124 124 MET C C 13 178.558 0.3 . 1 . . . . . 213 MET C . 16080 1 453 . 1 1 124 124 MET CA C 13 59.538 0.3 . 1 . . . . . 213 MET CA . 16080 1 454 . 1 1 124 124 MET N N 15 119.653 0.3 . 1 . . . . . 213 MET N . 16080 1 455 . 1 1 125 125 CYS H H 1 9.237 0.020 . 1 . . . . . 214 CYS H . 16080 1 456 . 1 1 125 125 CYS C C 13 176.922 0.3 . 1 . . . . . 214 CYS C . 16080 1 457 . 1 1 125 125 CYS CA C 13 59.720 0.3 . 1 . . . . . 214 CYS CA . 16080 1 458 . 1 1 125 125 CYS N N 15 119.708 0.3 . 1 . . . . . 214 CYS N . 16080 1 459 . 1 1 126 126 VAL H H 1 8.514 0.020 . 1 . . . . . 215 VAL H . 16080 1 460 . 1 1 126 126 VAL C C 13 178.074 0.3 . 1 . . . . . 215 VAL C . 16080 1 461 . 1 1 126 126 VAL CA C 13 67.371 0.3 . 1 . . . . . 215 VAL CA . 16080 1 462 . 1 1 126 126 VAL N N 15 123.896 0.3 . 1 . . . . . 215 VAL N . 16080 1 463 . 1 1 127 127 THR H H 1 8.129 0.020 . 1 . . . . . 216 THR H . 16080 1 464 . 1 1 127 127 THR C C 13 176.739 0.3 . 1 . . . . . 216 THR C . 16080 1 465 . 1 1 127 127 THR CA C 13 66.677 0.3 . 1 . . . . . 216 THR CA . 16080 1 466 . 1 1 127 127 THR N N 15 118.365 0.3 . 1 . . . . . 216 THR N . 16080 1 467 . 1 1 128 128 GLN H H 1 8.731 0.020 . 1 . . . . . 217 GLN H . 16080 1 468 . 1 1 128 128 GLN C C 13 177.419 0.3 . 1 . . . . . 217 GLN C . 16080 1 469 . 1 1 128 128 GLN CA C 13 58.315 0.3 . 1 . . . . . 217 GLN CA . 16080 1 470 . 1 1 128 128 GLN N N 15 122.854 0.3 . 1 . . . . . 217 GLN N . 16080 1 471 . 1 1 129 129 TYR H H 1 8.627 0.020 . 1 . . . . . 218 TYR H . 16080 1 472 . 1 1 129 129 TYR C C 13 178.191 0.3 . 1 . . . . . 218 TYR C . 16080 1 473 . 1 1 129 129 TYR CA C 13 61.615 0.3 . 1 . . . . . 218 TYR CA . 16080 1 474 . 1 1 129 129 TYR N N 15 120.421 0.3 . 1 . . . . . 218 TYR N . 16080 1 475 . 1 1 130 130 GLN H H 1 8.258 0.020 . 1 . . . . . 219 GLN H . 16080 1 476 . 1 1 130 130 GLN C C 13 178.558 0.3 . 1 . . . . . 219 GLN C . 16080 1 477 . 1 1 130 130 GLN CA C 13 58.773 0.3 . 1 . . . . . 219 GLN CA . 16080 1 478 . 1 1 130 130 GLN N N 15 119.877 0.3 . 1 . . . . . 219 GLN N . 16080 1 479 . 1 1 131 131 LYS H H 1 7.870 0.020 . 1 . . . . . 220 LYS H . 16080 1 480 . 1 1 131 131 LYS C C 13 179.788 0.3 . 1 . . . . . 220 LYS C . 16080 1 481 . 1 1 131 131 LYS CA C 13 58.937 0.3 . 1 . . . . . 220 LYS CA . 16080 1 482 . 1 1 131 131 LYS N N 15 119.637 0.3 . 1 . . . . . 220 LYS N . 16080 1 483 . 1 1 132 132 GLU H H 1 8.442 0.020 . 1 . . . . . 221 GLU H . 16080 1 484 . 1 1 132 132 GLU C C 13 179.278 0.3 . 1 . . . . . 221 GLU C . 16080 1 485 . 1 1 132 132 GLU CA C 13 57.510 0.3 . 1 . . . . . 221 GLU CA . 16080 1 486 . 1 1 132 132 GLU N N 15 118.556 0.3 . 1 . . . . . 221 GLU N . 16080 1 487 . 1 1 133 133 SER H H 1 8.430 0.020 . 1 . . . . . 222 SER H . 16080 1 488 . 1 1 133 133 SER C C 13 175.718 0.3 . 1 . . . . . 222 SER C . 16080 1 489 . 1 1 133 133 SER CA C 13 60.785 0.3 . 1 . . . . . 222 SER CA . 16080 1 490 . 1 1 133 133 SER N N 15 115.424 0.3 . 1 . . . . . 222 SER N . 16080 1 491 . 1 1 134 134 GLN H H 1 7.606 0.020 . 1 . . . . . 223 GLN H . 16080 1 492 . 1 1 134 134 GLN C C 13 177.170 0.3 . 1 . . . . . 223 GLN C . 16080 1 493 . 1 1 134 134 GLN CA C 13 57.730 0.3 . 1 . . . . . 223 GLN CA . 16080 1 494 . 1 1 134 134 GLN N N 15 120.977 0.3 . 1 . . . . . 223 GLN N . 16080 1 495 . 1 1 135 135 ALA H H 1 7.606 0.020 . 1 . . . . . 224 ALA H . 16080 1 496 . 1 1 135 135 ALA C C 13 179.006 0.3 . 1 . . . . . 224 ALA C . 16080 1 497 . 1 1 135 135 ALA CA C 13 53.729 0.3 . 1 . . . . . 224 ALA CA . 16080 1 498 . 1 1 135 135 ALA N N 15 120.905 0.3 . 1 . . . . . 224 ALA N . 16080 1 499 . 1 1 136 136 TYR H H 1 7.944 0.020 . 1 . . . . . 225 TYR H . 16080 1 500 . 1 1 136 136 TYR C C 13 177.227 0.3 . 1 . . . . . 225 TYR C . 16080 1 501 . 1 1 136 136 TYR CA C 13 59.590 0.3 . 1 . . . . . 225 TYR CA . 16080 1 502 . 1 1 136 136 TYR N N 15 119.370 0.3 . 1 . . . . . 225 TYR N . 16080 1 503 . 1 1 137 137 TYR H H 1 8.057 0.020 . 1 . . . . . 226 TYR H . 16080 1 504 . 1 1 137 137 TYR C C 13 176.955 0.3 . 1 . . . . . 226 TYR C . 16080 1 505 . 1 1 137 137 TYR CA C 13 59.354 0.3 . 1 . . . . . 226 TYR CA . 16080 1 506 . 1 1 137 137 TYR N N 15 119.874 0.3 . 1 . . . . . 226 TYR N . 16080 1 507 . 1 1 138 138 ASP H H 1 8.254 0.020 . 1 . . . . . 227 ASP H . 16080 1 508 . 1 1 138 138 ASP C C 13 177.299 0.3 . 1 . . . . . 227 ASP C . 16080 1 509 . 1 1 138 138 ASP CA C 13 54.911 0.3 . 1 . . . . . 227 ASP CA . 16080 1 510 . 1 1 138 138 ASP N N 15 121.166 0.3 . 1 . . . . . 227 ASP N . 16080 1 511 . 1 1 139 139 GLY H H 1 7.859 0.020 . 1 . . . . . 228 GLY H . 16080 1 512 . 1 1 139 139 GLY C C 13 174.422 0.3 . 1 . . . . . 228 GLY C . 16080 1 513 . 1 1 139 139 GLY CA C 13 45.247 0.3 . 1 . . . . . 228 GLY CA . 16080 1 514 . 1 1 139 139 GLY N N 15 108.145 0.3 . 1 . . . . . 228 GLY N . 16080 1 515 . 1 1 140 140 ARG H H 1 7.837 0.020 . 1 . . . . . 229 ARG H . 16080 1 516 . 1 1 140 140 ARG C C 13 176.202 0.3 . 1 . . . . . 229 ARG C . 16080 1 517 . 1 1 140 140 ARG CA C 13 55.777 0.3 . 1 . . . . . 229 ARG CA . 16080 1 518 . 1 1 140 140 ARG N N 15 120.239 0.3 . 1 . . . . . 229 ARG N . 16080 1 519 . 1 1 141 141 ARG H H 1 8.252 0.020 . 1 . . . . . 230 ARG H . 16080 1 520 . 1 1 141 141 ARG C C 13 175.508 0.3 . 1 . . . . . 230 ARG C . 16080 1 521 . 1 1 141 141 ARG CA C 13 55.502 0.3 . 1 . . . . . 230 ARG CA . 16080 1 522 . 1 1 141 141 ARG N N 15 122.755 0.3 . 1 . . . . . 230 ARG N . 16080 1 523 . 1 1 142 142 SER H H 1 8.012 0.020 . 1 . . . . . 231 SER H . 16080 1 524 . 1 1 142 142 SER C C 13 178.705 0.3 . 1 . . . . . 231 SER C . 16080 1 525 . 1 1 142 142 SER CA C 13 59.604 0.3 . 1 . . . . . 231 SER CA . 16080 1 526 . 1 1 142 142 SER N N 15 122.998 0.3 . 1 . . . . . 231 SER N . 16080 1 stop_ save_