################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18708 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4b8k/ebi/shifts_3.bmrb.csh' _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 NMR_expt 1 $sample_1 solid 18708 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.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 2 2 THR C C 13 170.139 0.1 . 1 . 1 . . 2 THR C . 18708 1 2 . 1 1 3 3 LYS H H 1 8.666 0.05 . 1 . 3 . . 3 LYS H . 18708 1 3 . 1 1 3 3 LYS C C 13 171.607 0.1 . 1 . 5 . . 3 LYS C . 18708 1 4 . 1 1 3 3 LYS CA C 13 51.178 0.1 . 1 . 4 . . 3 LYS CA . 18708 1 5 . 1 1 3 3 LYS N N 15 123.998 0.1 . 1 . 2 . . 3 LYS N . 18708 1 6 . 1 1 4 4 ALA H H 1 9.116 0.05 . 1 . 7 . . 4 ALA H . 18708 1 7 . 1 1 4 4 ALA C C 13 172.145 0.1 . 1 . 9 . . 4 ALA C . 18708 1 8 . 1 1 4 4 ALA CA C 13 47.504 0.1 . 1 . 8 . . 4 ALA CA . 18708 1 9 . 1 1 4 4 ALA N N 15 123.295 0.1 . 1 . 6 . . 4 ALA N . 18708 1 10 . 1 1 5 5 VAL H H 1 9.545 0.05 . 1 . 11 . . 5 VAL H . 18708 1 11 . 1 1 5 5 VAL C C 13 167.836 0.1 . 1 . 13 . . 5 VAL C . 18708 1 12 . 1 1 5 5 VAL CA C 13 56.875 0.1 . 1 . 12 . . 5 VAL CA . 18708 1 13 . 1 1 5 5 VAL N N 15 121.466 0.1 . 1 . 10 . . 5 VAL N . 18708 1 14 . 1 1 6 6 ALA H H 1 9.177 0.05 . 1 . 15 . . 6 ALA H . 18708 1 15 . 1 1 6 6 ALA C C 13 171.607 0.1 . 1 . 17 . . 6 ALA C . 18708 1 16 . 1 1 6 6 ALA CA C 13 47.471 0.1 . 1 . 16 . . 6 ALA CA . 18708 1 17 . 1 1 6 6 ALA N N 15 125.984 0.1 . 1 . 14 . . 6 ALA N . 18708 1 18 . 1 1 7 7 VAL H H 1 9.116 0.05 . 1 . 19 . . 7 VAL H . 18708 1 19 . 1 1 7 7 VAL C C 13 172.244 0.1 . 1 . 21 . . 7 VAL C . 18708 1 20 . 1 1 7 7 VAL CA C 13 58.476 0.1 . 1 . 20 . . 7 VAL CA . 18708 1 21 . 1 1 7 7 VAL N N 15 123.600 0.1 . 1 . 18 . . 7 VAL N . 18708 1 22 . 1 1 8 8 LEU H H 1 8.916 0.05 . 1 . 23 . . 8 LEU H . 18708 1 23 . 1 1 8 8 LEU C C 13 172.557 0.1 . 1 . 25 . . 8 LEU C . 18708 1 24 . 1 1 8 8 LEU CA C 13 51.052 0.1 . 1 . 24 . . 8 LEU CA . 18708 1 25 . 1 1 8 8 LEU N N 15 126.455 0.1 . 1 . 22 . . 8 LEU N . 18708 1 26 . 1 1 9 9 LYS H H 1 8.315 0.05 . 1 . 27 . . 9 LYS H . 18708 1 27 . 1 1 9 9 LYS C C 13 172.509 0.1 . 1 . 29 . . 9 LYS C . 18708 1 28 . 1 1 9 9 LYS CA C 13 51.897 0.1 . 1 . 28 . . 9 LYS CA . 18708 1 29 . 1 1 9 9 LYS N N 15 120.820 0.1 . 1 . 26 . . 9 LYS N . 18708 1 30 . 1 1 10 10 GLY H H 1 8.968 0.05 . 1 . 31 . . 10 GLY H . 18708 1 31 . 1 1 10 10 GLY C C 13 169.847 0.1 . 1 . 33 . . 10 GLY C . 18708 1 32 . 1 1 10 10 GLY CA C 13 42.275 0.1 . 1 . 32 . . 10 GLY CA . 18708 1 33 . 1 1 10 10 GLY N N 15 111.249 0.1 . 1 . 30 . . 10 GLY N . 18708 1 34 . 1 1 11 11 ASP H H 1 8.745 0.05 . 1 . 35 . . 11 ASP H . 18708 1 35 . 1 1 11 11 ASP C C 13 173.132 0.1 . 1 . 37 . . 11 ASP C . 18708 1 36 . 1 1 11 11 ASP CA C 13 51.317 0.1 . 1 . 36 . . 11 ASP CA . 18708 1 37 . 1 1 11 11 ASP N N 15 120.904 0.1 . 1 . 34 . . 11 ASP N . 18708 1 38 . 1 1 12 12 GLY H H 1 7.985 0.05 . 1 . 39 . . 12 GLY H . 18708 1 39 . 1 1 12 12 GLY CA C 13 41.200 0.1 . 1 . 40 . . 12 GLY CA . 18708 1 40 . 1 1 12 12 GLY N N 15 109.862 0.1 . 1 . 38 . . 12 GLY N . 18708 1 41 . 1 1 13 13 PRO C C 13 173.640 0.1 . 1 . 41 . . 13 PRO C . 18708 1 42 . 1 1 14 14 VAL H H 1 7.476 0.05 . 1 . 43 . . 14 VAL H . 18708 1 43 . 1 1 14 14 VAL C C 13 172.804 0.1 . 1 . 45 . . 14 VAL C . 18708 1 44 . 1 1 14 14 VAL CA C 13 59.884 0.1 . 1 . 44 . . 14 VAL CA . 18708 1 45 . 1 1 14 14 VAL N N 15 120.414 0.1 . 1 . 42 . . 14 VAL N . 18708 1 46 . 1 1 15 15 GLN H H 1 7.938 0.05 . 1 . 47 . . 15 GLN H . 18708 1 47 . 1 1 15 15 GLN C C 13 171.168 0.1 . 1 . 49 . . 15 GLN C . 18708 1 48 . 1 1 15 15 GLN CA C 13 50.679 0.1 . 1 . 48 . . 15 GLN CA . 18708 1 49 . 1 1 15 15 GLN N N 15 122.664 0.1 . 1 . 46 . . 15 GLN N . 18708 1 50 . 1 1 16 16 GLY H H 1 8.288 0.05 . 1 . 51 . . 16 GLY H . 18708 1 51 . 1 1 16 16 GLY C C 13 167.726 0.1 . 1 . 53 . . 16 GLY C . 18708 1 52 . 1 1 16 16 GLY CA C 13 43.625 0.1 . 1 . 52 . . 16 GLY CA . 18708 1 53 . 1 1 16 16 GLY N N 15 107.018 0.1 . 1 . 50 . . 16 GLY N . 18708 1 54 . 1 1 17 17 ILE H H 1 7.948 0.05 . 1 . 55 . . 17 ILE H . 18708 1 55 . 1 1 17 17 ILE C C 13 171.194 0.1 . 1 . 57 . . 17 ILE C . 18708 1 56 . 1 1 17 17 ILE CA C 13 58.497 0.1 . 1 . 56 . . 17 ILE CA . 18708 1 57 . 1 1 17 17 ILE N N 15 120.248 0.1 . 1 . 54 . . 17 ILE N . 18708 1 58 . 1 1 18 18 ILE H H 1 8.725 0.05 . 1 . 59 . . 18 ILE H . 18708 1 59 . 1 1 18 18 ILE C C 13 168.889 0.1 . 1 . 61 . . 18 ILE C . 18708 1 60 . 1 1 18 18 ILE CA C 13 53.431 0.1 . 1 . 60 . . 18 ILE CA . 18708 1 61 . 1 1 18 18 ILE N N 15 125.851 0.1 . 1 . 58 . . 18 ILE N . 18708 1 62 . 1 1 19 19 ASN H H 1 8.727 0.05 . 1 . 63 . . 19 ASN H . 18708 1 63 . 1 1 19 19 ASN C C 13 168.903 0.1 . 1 . 65 . . 19 ASN C . 18708 1 64 . 1 1 19 19 ASN CA C 13 49.088 0.1 . 1 . 64 . . 19 ASN CA . 18708 1 65 . 1 1 19 19 ASN N N 15 123.256 0.1 . 1 . 62 . . 19 ASN N . 18708 1 66 . 1 1 20 20 PHE H H 1 8.399 0.05 . 1 . 67 . . 20 PHE H . 18708 1 67 . 1 1 20 20 PHE C C 13 173.219 0.1 . 1 . 69 . . 20 PHE C . 18708 1 68 . 1 1 20 20 PHE CA C 13 52.058 0.1 . 1 . 68 . . 20 PHE CA . 18708 1 69 . 1 1 20 20 PHE N N 15 113.849 0.1 . 1 . 66 . . 20 PHE N . 18708 1 70 . 1 1 21 21 GLU H H 1 9.526 0.05 . 1 . 71 . . 21 GLU H . 18708 1 71 . 1 1 21 21 GLU C C 13 170.280 0.1 . 1 . 73 . . 21 GLU C . 18708 1 72 . 1 1 21 21 GLU CA C 13 53.044 0.1 . 1 . 72 . . 21 GLU CA . 18708 1 73 . 1 1 21 21 GLU N N 15 121.454 0.1 . 1 . 70 . . 21 GLU N . 18708 1 74 . 1 1 22 22 GLN H H 1 9.305 0.05 . 1 . 75 . . 22 GLN H . 18708 1 75 . 1 1 22 22 GLN CA C 13 51.180 0.1 . 1 . 76 . . 22 GLN CA . 18708 1 76 . 1 1 22 22 GLN N N 15 130.340 0.1 . 1 . 74 . . 22 GLN N . 18708 1 77 . 1 1 23 23 LYS H H 1 9.088 0.05 . 1 . 78 . . 23 LYS H . 18708 1 78 . 1 1 23 23 LYS CA C 13 57.241 0.1 . 1 . 79 . . 23 LYS CA . 18708 1 79 . 1 1 23 23 LYS N N 15 128.657 0.1 . 1 . 77 . . 23 LYS N . 18708 1 80 . 1 1 24 24 GLU CA C 13 51.392 0.1 . 1 . 80 . . 24 GLU CA . 18708 1 81 . 1 1 25 25 SER CA C 13 58.078 0.1 . 1 . 81 . . 25 SER CA . 18708 1 82 . 1 1 27 27 GLY H H 1 8.032 0.05 . 1 . 83 . . 27 GLY H . 18708 1 83 . 1 1 27 27 GLY CA C 13 42.925 0.1 . 1 . 84 . . 27 GLY CA . 18708 1 84 . 1 1 27 27 GLY N N 15 108.125 0.1 . 1 . 82 . . 27 GLY N . 18708 1 85 . 1 1 28 28 PRO C C 13 173.128 0.1 . 1 . 85 . . 28 PRO C . 18708 1 86 . 1 1 29 29 VAL H H 1 9.089 0.05 . 1 . 87 . . 29 VAL H . 18708 1 87 . 1 1 29 29 VAL C C 13 172.198 0.1 . 1 . 89 . . 29 VAL C . 18708 1 88 . 1 1 29 29 VAL CA C 13 57.720 0.1 . 1 . 88 . . 29 VAL CA . 18708 1 89 . 1 1 29 29 VAL N N 15 121.267 0.1 . 1 . 86 . . 29 VAL N . 18708 1 90 . 1 1 30 30 LYS H H 1 9.200 0.05 . 1 . 91 . . 30 LYS H . 18708 1 91 . 1 1 30 30 LYS C C 13 172.098 0.1 . 1 . 93 . . 30 LYS C . 18708 1 92 . 1 1 30 30 LYS CA C 13 52.642 0.1 . 1 . 92 . . 30 LYS CA . 18708 1 93 . 1 1 30 30 LYS N N 15 127.589 0.1 . 1 . 90 . . 30 LYS N . 18708 1 94 . 1 1 31 31 VAL H H 1 9.282 0.05 . 1 . 95 . . 31 VAL H . 18708 1 95 . 1 1 31 31 VAL C C 13 172.244 0.1 . 1 . 97 . . 31 VAL C . 18708 1 96 . 1 1 31 31 VAL CA C 13 57.139 0.1 . 1 . 96 . . 31 VAL CA . 18708 1 97 . 1 1 31 31 VAL N N 15 126.037 0.1 . 1 . 94 . . 31 VAL N . 18708 1 98 . 1 1 32 32 TRP H H 1 8.983 0.05 . 1 . 99 . . 32 TRP H . 18708 1 99 . 1 1 32 32 TRP C C 13 170.156 0.1 . 1 . 101 . . 32 TRP C . 18708 1 100 . 1 1 32 32 TRP CA C 13 53.137 0.1 . 1 . 100 . . 32 TRP CA . 18708 1 101 . 1 1 32 32 TRP N N 15 125.414 0.1 . 1 . 98 . . 32 TRP N . 18708 1 102 . 1 1 33 33 GLY H H 1 8.360 0.05 . 1 . 103 . . 33 GLY H . 18708 1 103 . 1 1 33 33 GLY C C 13 168.400 0.1 . 1 . 105 . . 33 GLY C . 18708 1 104 . 1 1 33 33 GLY CA C 13 41.567 0.1 . 1 . 104 . . 33 GLY CA . 18708 1 105 . 1 1 33 33 GLY N N 15 107.848 0.1 . 1 . 102 . . 33 GLY N . 18708 1 106 . 1 1 34 34 SER H H 1 7.838 0.05 . 1 . 107 . . 34 SER H . 18708 1 107 . 1 1 34 34 SER C C 13 169.618 0.1 . 1 . 109 . . 34 SER C . 18708 1 108 . 1 1 34 34 SER CA C 13 53.875 0.1 . 1 . 108 . . 34 SER CA . 18708 1 109 . 1 1 34 34 SER N N 15 114.377 0.1 . 1 . 106 . . 34 SER N . 18708 1 110 . 1 1 35 35 ILE H H 1 8.496 0.05 . 1 . 111 . . 35 ILE H . 18708 1 111 . 1 1 35 35 ILE C C 13 169.713 0.1 . 1 . 113 . . 35 ILE C . 18708 1 112 . 1 1 35 35 ILE CA C 13 56.769 0.1 . 1 . 112 . . 35 ILE CA . 18708 1 113 . 1 1 35 35 ILE N N 15 123.149 0.1 . 1 . 110 . . 35 ILE N . 18708 1 114 . 1 1 36 36 LYS H H 1 9.091 0.05 . 1 . 115 . . 36 LYS H . 18708 1 115 . 1 1 36 36 LYS C C 13 172.260 0.1 . 1 . 117 . . 36 LYS C . 18708 1 116 . 1 1 36 36 LYS CA C 13 51.150 0.1 . 1 . 116 . . 36 LYS CA . 18708 1 117 . 1 1 36 36 LYS N N 15 123.803 0.1 . 1 . 114 . . 36 LYS N . 18708 1 118 . 1 1 37 37 GLY H H 1 8.237 0.05 . 1 . 119 . . 37 GLY H . 18708 1 119 . 1 1 37 37 GLY C C 13 171.641 0.1 . 1 . 121 . . 37 GLY C . 18708 1 120 . 1 1 37 37 GLY CA C 13 42.361 0.1 . 1 . 120 . . 37 GLY CA . 18708 1 121 . 1 1 37 37 GLY N N 15 105.495 0.1 . 1 . 118 . . 37 GLY N . 18708 1 122 . 1 1 38 38 LEU H H 1 8.156 0.05 . 1 . 123 . . 38 LEU H . 18708 1 123 . 1 1 38 38 LEU C C 13 174.112 0.1 . 1 . 125 . . 38 LEU C . 18708 1 124 . 1 1 38 38 LEU CA C 13 50.471 0.1 . 1 . 124 . . 38 LEU CA . 18708 1 125 . 1 1 38 38 LEU N N 15 120.966 0.1 . 1 . 122 . . 38 LEU N . 18708 1 126 . 1 1 39 39 THR H H 1 8.660 0.05 . 1 . 127 . . 39 THR H . 18708 1 127 . 1 1 39 39 THR C C 13 173.102 0.1 . 1 . 129 . . 39 THR C . 18708 1 128 . 1 1 39 39 THR CA C 13 58.194 0.1 . 1 . 128 . . 39 THR CA . 18708 1 129 . 1 1 39 39 THR N N 15 110.363 0.1 . 1 . 126 . . 39 THR N . 18708 1 130 . 1 1 40 40 GLU H H 1 8.804 0.05 . 1 . 131 . . 40 GLU H . 18708 1 131 . 1 1 40 40 GLU C C 13 173.134 0.1 . 1 . 133 . . 40 GLU C . 18708 1 132 . 1 1 40 40 GLU CA C 13 54.356 0.1 . 1 . 132 . . 40 GLU CA . 18708 1 133 . 1 1 40 40 GLU N N 15 125.818 0.1 . 1 . 130 . . 40 GLU N . 18708 1 134 . 1 1 41 41 GLY H H 1 8.763 0.05 . 1 . 135 . . 41 GLY H . 18708 1 135 . 1 1 41 41 GLY C C 13 170.046 0.1 . 1 . 137 . . 41 GLY C . 18708 1 136 . 1 1 41 41 GLY CA C 13 40.054 0.1 . 1 . 136 . . 41 GLY CA . 18708 1 137 . 1 1 41 41 GLY N N 15 113.875 0.1 . 1 . 134 . . 41 GLY N . 18708 1 138 . 1 1 42 42 LEU H H 1 8.313 0.05 . 1 . 139 . . 42 LEU H . 18708 1 139 . 1 1 42 42 LEU C C 13 174.218 0.1 . 1 . 141 . . 42 LEU C . 18708 1 140 . 1 1 42 42 LEU CA C 13 52.155 0.1 . 1 . 140 . . 42 LEU CA . 18708 1 141 . 1 1 42 42 LEU N N 15 120.137 0.1 . 1 . 138 . . 42 LEU N . 18708 1 142 . 1 1 43 43 HIS H H 1 8.712 0.05 . 1 . 143 . . 43 HIS H . 18708 1 143 . 1 1 43 43 HIS C C 13 171.504 0.1 . 1 . 145 . . 43 HIS C . 18708 1 144 . 1 1 43 43 HIS CA C 13 50.985 0.1 . 1 . 144 . . 43 HIS CA . 18708 1 145 . 1 1 43 43 HIS N N 15 114.385 0.1 . 1 . 142 . . 43 HIS N . 18708 1 146 . 1 1 44 44 GLY H H 1 8.875 0.05 . 1 . 147 . . 44 GLY H . 18708 1 147 . 1 1 44 44 GLY C C 13 168.656 0.1 . 1 . 149 . . 44 GLY C . 18708 1 148 . 1 1 44 44 GLY CA C 13 44.195 0.1 . 1 . 148 . . 44 GLY CA . 18708 1 149 . 1 1 44 44 GLY N N 15 108.872 0.1 . 1 . 146 . . 44 GLY N . 18708 1 150 . 1 1 45 45 PHE H H 1 8.111 0.05 . 1 . 151 . . 45 PHE H . 18708 1 151 . 1 1 45 45 PHE CA C 13 53.098 0.1 . 1 . 152 . . 45 PHE CA . 18708 1 152 . 1 1 45 45 PHE N N 15 126.439 0.1 . 1 . 150 . . 45 PHE N . 18708 1 153 . 1 1 46 46 HIS H H 1 8.107 0.05 . 1 . 154 . . 46 HIS H . 18708 1 154 . 1 1 46 46 HIS C C 13 172.415 0.1 . 1 . 156 . . 46 HIS C . 18708 1 155 . 1 1 46 46 HIS CA C 13 49.206 0.1 . 1 . 155 . . 46 HIS CA . 18708 1 156 . 1 1 46 46 HIS N N 15 115.353 0.1 . 1 . 153 . . 46 HIS N . 18708 1 157 . 1 1 47 47 VAL H H 1 9.366 0.05 . 1 . 158 . . 47 VAL H . 18708 1 158 . 1 1 47 47 VAL C C 13 173.900 0.1 . 1 . 160 . . 47 VAL C . 18708 1 159 . 1 1 47 47 VAL CA C 13 58.792 0.1 . 1 . 159 . . 47 VAL CA . 18708 1 160 . 1 1 47 47 VAL N N 15 120.548 0.1 . 1 . 157 . . 47 VAL N . 18708 1 161 . 1 1 48 48 HIS H H 1 10.210 0.05 . 1 . 162 . . 48 HIS H . 18708 1 162 . 1 1 48 48 HIS C C 13 171.084 0.1 . 1 . 164 . . 48 HIS C . 18708 1 163 . 1 1 48 48 HIS CA C 13 52.756 0.1 . 1 . 163 . . 48 HIS CA . 18708 1 164 . 1 1 48 48 HIS N N 15 129.236 0.1 . 1 . 161 . . 48 HIS N . 18708 1 165 . 1 1 49 49 GLU H H 1 8.492 0.05 . 1 . 166 . . 49 GLU H . 18708 1 166 . 1 1 49 49 GLU C C 13 171.635 0.1 . 1 . 168 . . 49 GLU C . 18708 1 167 . 1 1 49 49 GLU CA C 13 57.759 0.1 . 1 . 167 . . 49 GLU CA . 18708 1 168 . 1 1 49 49 GLU N N 15 118.119 0.1 . 1 . 165 . . 49 GLU N . 18708 1 169 . 1 1 50 50 PHE H H 1 8.580 0.05 . 1 . 170 . . 50 PHE H . 18708 1 170 . 1 1 50 50 PHE C C 13 175.252 0.1 . 1 . 172 . . 50 PHE C . 18708 1 171 . 1 1 50 50 PHE CA C 13 52.900 0.1 . 1 . 171 . . 50 PHE CA . 18708 1 172 . 1 1 50 50 PHE N N 15 110.329 0.1 . 1 . 169 . . 50 PHE N . 18708 1 173 . 1 1 51 51 GLY H H 1 10.208 0.05 . 1 . 174 . . 51 GLY H . 18708 1 174 . 1 1 51 51 GLY C C 13 168.248 0.1 . 1 . 175 . . 51 GLY C . 18708 1 175 . 1 1 51 51 GLY N N 15 119.251 0.1 . 1 . 173 . . 51 GLY N . 18708 1 176 . 1 1 52 52 ASP H H 1 5.834 0.05 . 1 . 177 . . 52 ASP H . 18708 1 177 . 1 1 52 52 ASP CA C 13 48.891 0.1 . 1 . 178 . . 52 ASP CA . 18708 1 178 . 1 1 52 52 ASP N N 15 114.958 0.1 . 1 . 176 . . 52 ASP N . 18708 1 179 . 1 1 53 53 ASN H H 1 9.360 0.05 . 1 . 180 . . 53 ASN H . 18708 1 180 . 1 1 53 53 ASN CA C 13 48.233 0.1 . 1 . 181 . . 53 ASN CA . 18708 1 181 . 1 1 53 53 ASN N N 15 128.224 0.1 . 1 . 179 . . 53 ASN N . 18708 1 182 . 1 1 54 54 THR C C 13 168.656 0.1 . 1 . 182 . . 54 THR C . 18708 1 183 . 1 1 55 55 ALA H H 1 8.390 0.05 . 1 . 184 . . 55 ALA H . 18708 1 184 . 1 1 55 55 ALA C C 13 174.185 0.1 . 1 . 186 . . 55 ALA C . 18708 1 185 . 1 1 55 55 ALA CA C 13 46.155 0.1 . 1 . 185 . . 55 ALA CA . 18708 1 186 . 1 1 55 55 ALA N N 15 126.661 0.1 . 1 . 183 . . 55 ALA N . 18708 1 187 . 1 1 56 56 GLY H H 1 7.282 0.05 . 1 . 188 . . 56 GLY H . 18708 1 188 . 1 1 56 56 GLY C C 13 171.578 0.1 . 1 . 190 . . 56 GLY C . 18708 1 189 . 1 1 56 56 GLY CA C 13 42.580 0.1 . 1 . 189 . . 56 GLY CA . 18708 1 190 . 1 1 56 56 GLY N N 15 107.903 0.1 . 1 . 187 . . 56 GLY N . 18708 1 191 . 1 1 57 57 CYS H H 1 8.900 0.05 . 1 . 192 . . 57 CYS H . 18708 1 192 . 1 1 57 57 CYS C C 13 175.209 0.1 . 1 . 194 . . 57 CYS C . 18708 1 193 . 1 1 57 57 CYS CA C 13 49.088 0.1 . 1 . 193 . . 57 CYS CA . 18708 1 194 . 1 1 57 57 CYS N N 15 117.952 0.1 . 1 . 191 . . 57 CYS N . 18708 1 195 . 1 1 58 58 THR H H 1 8.505 0.05 . 1 . 196 . . 58 THR H . 18708 1 196 . 1 1 58 58 THR CA C 13 58.239 0.1 . 1 . 197 . . 58 THR CA . 18708 1 197 . 1 1 58 58 THR N N 15 119.852 0.1 . 1 . 195 . . 58 THR N . 18708 1 198 . 1 1 59 59 SER C C 13 170.763 0.1 . 1 . 199 . . 59 SER C . 18708 1 199 . 1 1 59 59 SER CA C 13 55.609 0.1 . 1 . 198 . . 59 SER CA . 18708 1 200 . 1 1 60 60 ALA H H 1 6.898 0.05 . 1 . 201 . . 60 ALA H . 18708 1 201 . 1 1 60 60 ALA CA C 13 49.940 0.1 . 1 . 202 . . 60 ALA CA . 18708 1 202 . 1 1 60 60 ALA N N 15 119.753 0.1 . 1 . 200 . . 60 ALA N . 18708 1 203 . 1 1 61 61 GLY H H 1 7.730 0.05 . 1 . 204 . . 61 GLY H . 18708 1 204 . 1 1 61 61 GLY CA C 13 42.805 0.1 . 1 . 205 . . 61 GLY CA . 18708 1 205 . 1 1 61 61 GLY N N 15 101.351 0.1 . 1 . 203 . . 61 GLY N . 18708 1 206 . 1 1 62 62 PRO C C 13 172.276 0.1 . 1 . 206 . . 62 PRO C . 18708 1 207 . 1 1 63 63 HIS H H 1 7.474 0.05 . 1 . 208 . . 63 HIS H . 18708 1 208 . 1 1 63 63 HIS CA C 13 52.119 0.1 . 1 . 209 . . 63 HIS CA . 18708 1 209 . 1 1 63 63 HIS N N 15 115.023 0.1 . 1 . 207 . . 63 HIS N . 18708 1 210 . 1 1 64 64 PHE C C 13 171.731 0.1 . 1 . 210 . . 64 PHE C . 18708 1 211 . 1 1 65 65 ASN H H 1 9.426 0.05 . 1 . 212 . . 65 ASN H . 18708 1 212 . 1 1 65 65 ASN CA C 13 47.753 0.1 . 1 . 213 . . 65 ASN CA . 18708 1 213 . 1 1 65 65 ASN N N 15 126.978 0.1 . 1 . 211 . . 65 ASN N . 18708 1 214 . 1 1 67 67 LEU H H 1 7.720 0.05 . 1 . 215 . . 67 LEU H . 18708 1 215 . 1 1 67 67 LEU C C 13 172.580 0.1 . 1 . 217 . . 67 LEU C . 18708 1 216 . 1 1 67 67 LEU CA C 13 50.911 0.1 . 1 . 216 . . 67 LEU CA . 18708 1 217 . 1 1 67 67 LEU N N 15 117.937 0.1 . 1 . 214 . . 67 LEU N . 18708 1 218 . 1 1 68 68 SER H H 1 7.428 0.05 . 1 . 219 . . 68 SER H . 18708 1 219 . 1 1 68 68 SER CA C 13 55.953 0.1 . 1 . 220 . . 68 SER CA . 18708 1 220 . 1 1 68 68 SER N N 15 110.842 0.1 . 1 . 218 . . 68 SER N . 18708 1 221 . 1 1 69 69 ARG H H 1 8.508 0.05 . 1 . 222 . . 69 ARG H . 18708 1 222 . 1 1 69 69 ARG C C 13 173.381 0.1 . 1 . 224 . . 69 ARG C . 18708 1 223 . 1 1 69 69 ARG CA C 13 50.543 0.1 . 1 . 223 . . 69 ARG CA . 18708 1 224 . 1 1 69 69 ARG N N 15 120.782 0.1 . 1 . 221 . . 69 ARG N . 18708 1 225 . 1 1 70 70 LYS H H 1 8.745 0.05 . 1 . 226 . . 70 LYS H . 18708 1 226 . 1 1 70 70 LYS C C 13 169.994 0.1 . 1 . 228 . . 70 LYS C . 18708 1 227 . 1 1 70 70 LYS CA C 13 52.596 0.1 . 1 . 227 . . 70 LYS CA . 18708 1 228 . 1 1 70 70 LYS N N 15 118.055 0.1 . 1 . 225 . . 70 LYS N . 18708 1 229 . 1 1 71 71 HIS H H 1 7.152 0.05 . 1 . 230 . . 71 HIS H . 18708 1 230 . 1 1 71 71 HIS C C 13 171.534 0.1 . 1 . 232 . . 71 HIS C . 18708 1 231 . 1 1 71 71 HIS CA C 13 52.549 0.1 . 1 . 231 . . 71 HIS CA . 18708 1 232 . 1 1 71 71 HIS N N 15 111.871 0.1 . 1 . 229 . . 71 HIS N . 18708 1 233 . 1 1 72 72 GLY H H 1 7.209 0.05 . 1 . 234 . . 72 GLY H . 18708 1 234 . 1 1 72 72 GLY C C 13 168.634 0.1 . 1 . 236 . . 72 GLY C . 18708 1 235 . 1 1 72 72 GLY CA C 13 41.274 0.1 . 1 . 235 . . 72 GLY CA . 18708 1 236 . 1 1 72 72 GLY N N 15 112.910 0.1 . 1 . 233 . . 72 GLY N . 18708 1 237 . 1 1 73 73 GLY H H 1 8.789 0.05 . 1 . 238 . . 73 GLY H . 18708 1 238 . 1 1 73 73 GLY CA C 13 41.221 0.1 . 1 . 239 . . 73 GLY CA . 18708 1 239 . 1 1 73 73 GLY N N 15 105.207 0.1 . 1 . 237 . . 73 GLY N . 18708 1 240 . 1 1 74 74 PRO C C 13 175.753 0.1 . 1 . 240 . . 74 PRO C . 18708 1 241 . 1 1 75 75 LYS H H 1 8.651 0.05 . 1 . 242 . . 75 LYS H . 18708 1 242 . 1 1 75 75 LYS C C 13 173.640 0.1 . 1 . 244 . . 75 LYS C . 18708 1 243 . 1 1 75 75 LYS CA C 13 51.103 0.1 . 1 . 243 . . 75 LYS CA . 18708 1 244 . 1 1 75 75 LYS N N 15 114.868 0.1 . 1 . 241 . . 75 LYS N . 18708 1 245 . 1 1 76 76 ASP H H 1 7.461 0.05 . 1 . 246 . . 76 ASP H . 18708 1 246 . 1 1 76 76 ASP C C 13 172.557 0.1 . 1 . 248 . . 76 ASP C . 18708 1 247 . 1 1 76 76 ASP CA C 13 51.309 0.1 . 1 . 247 . . 76 ASP CA . 18708 1 248 . 1 1 76 76 ASP N N 15 120.414 0.1 . 1 . 245 . . 76 ASP N . 18708 1 249 . 1 1 77 77 GLU H H 1 8.315 0.05 . 1 . 250 . . 77 GLU H . 18708 1 250 . 1 1 77 77 GLU C C 13 174.101 0.1 . 1 . 252 . . 77 GLU C . 18708 1 251 . 1 1 77 77 GLU CA C 13 55.513 0.1 . 1 . 251 . . 77 GLU CA . 18708 1 252 . 1 1 77 77 GLU N N 15 120.820 0.1 . 1 . 249 . . 77 GLU N . 18708 1 253 . 1 1 78 78 GLU H H 1 8.109 0.05 . 1 . 254 . . 78 GLU H . 18708 1 254 . 1 1 78 78 GLU C C 13 168.285 0.1 . 1 . 256 . . 78 GLU C . 18708 1 255 . 1 1 78 78 GLU CA C 13 52.078 0.1 . 1 . 255 . . 78 GLU CA . 18708 1 256 . 1 1 78 78 GLU N N 15 119.251 0.1 . 1 . 253 . . 78 GLU N . 18708 1 257 . 1 1 79 79 ARG H H 1 6.999 0.05 . 1 . 258 . . 79 ARG H . 18708 1 258 . 1 1 79 79 ARG C C 13 172.123 0.1 . 1 . 260 . . 79 ARG C . 18708 1 259 . 1 1 79 79 ARG CA C 13 51.074 0.1 . 1 . 259 . . 79 ARG CA . 18708 1 260 . 1 1 79 79 ARG N N 15 118.991 0.1 . 1 . 257 . . 79 ARG N . 18708 1 261 . 1 1 80 80 HIS H H 1 8.355 0.05 . 1 . 262 . . 80 HIS H . 18708 1 262 . 1 1 80 80 HIS CA C 13 49.953 0.1 . 1 . 263 . . 80 HIS CA . 18708 1 263 . 1 1 80 80 HIS N N 15 118.000 0.1 . 1 . 261 . . 80 HIS N . 18708 1 264 . 1 1 81 81 VAL C C 13 173.460 0.1 . 1 . 264 . . 81 VAL C . 18708 1 265 . 1 1 82 82 GLY H H 1 8.487 0.05 . 1 . 266 . . 82 GLY H . 18708 1 266 . 1 1 82 82 GLY C C 13 170.370 0.1 . 1 . 268 . . 82 GLY C . 18708 1 267 . 1 1 82 82 GLY CA C 13 42.688 0.1 . 1 . 267 . . 82 GLY CA . 18708 1 268 . 1 1 82 82 GLY N N 15 97.322 0.1 . 1 . 265 . . 82 GLY N . 18708 1 269 . 1 1 83 83 ASP H H 1 7.127 0.05 . 1 . 270 . . 83 ASP H . 18708 1 270 . 1 1 83 83 ASP C C 13 168.737 0.1 . 1 . 272 . . 83 ASP C . 18708 1 271 . 1 1 83 83 ASP CA C 13 52.918 0.1 . 1 . 271 . . 83 ASP CA . 18708 1 272 . 1 1 83 83 ASP N N 15 120.890 0.1 . 1 . 269 . . 83 ASP N . 18708 1 273 . 1 1 84 84 LEU H H 1 7.128 0.05 . 1 . 274 . . 84 LEU H . 18708 1 274 . 1 1 84 84 LEU C C 13 173.212 0.1 . 1 . 276 . . 84 LEU C . 18708 1 275 . 1 1 84 84 LEU CA C 13 50.433 0.1 . 1 . 275 . . 84 LEU CA . 18708 1 276 . 1 1 84 84 LEU N N 15 120.154 0.1 . 1 . 273 . . 84 LEU N . 18708 1 277 . 1 1 85 85 GLY H H 1 8.260 0.05 . 1 . 278 . . 85 GLY H . 18708 1 278 . 1 1 85 85 GLY C C 13 167.654 0.1 . 1 . 280 . . 85 GLY C . 18708 1 279 . 1 1 85 85 GLY CA C 13 43.011 0.1 . 1 . 279 . . 85 GLY CA . 18708 1 280 . 1 1 85 85 GLY N N 15 106.867 0.1 . 1 . 277 . . 85 GLY N . 18708 1 281 . 1 1 86 86 ASN H H 1 8.041 0.05 . 1 . 282 . . 86 ASN H . 18708 1 282 . 1 1 86 86 ASN C C 13 173.942 0.1 . 1 . 284 . . 86 ASN C . 18708 1 283 . 1 1 86 86 ASN CA C 13 49.266 0.1 . 1 . 283 . . 86 ASN CA . 18708 1 284 . 1 1 86 86 ASN N N 15 117.454 0.1 . 1 . 281 . . 86 ASN N . 18708 1 285 . 1 1 87 87 VAL H H 1 8.960 0.05 . 1 . 286 . . 87 VAL H . 18708 1 286 . 1 1 87 87 VAL C C 13 171.526 0.1 . 1 . 288 . . 87 VAL C . 18708 1 287 . 1 1 87 87 VAL CA C 13 55.708 0.1 . 1 . 287 . . 87 VAL CA . 18708 1 288 . 1 1 87 87 VAL N N 15 113.370 0.1 . 1 . 285 . . 87 VAL N . 18708 1 289 . 1 1 88 88 THR H H 1 8.681 0.05 . 1 . 290 . . 88 THR H . 18708 1 290 . 1 1 88 88 THR C C 13 170.367 0.1 . 1 . 292 . . 88 THR C . 18708 1 291 . 1 1 88 88 THR CA C 13 58.694 0.1 . 1 . 291 . . 88 THR CA . 18708 1 292 . 1 1 88 88 THR N N 15 117.939 0.1 . 1 . 289 . . 88 THR N . 18708 1 293 . 1 1 89 89 ALA H H 1 9.377 0.05 . 1 . 294 . . 89 ALA H . 18708 1 294 . 1 1 89 89 ALA C C 13 174.480 0.1 . 1 . 296 . . 89 ALA C . 18708 1 295 . 1 1 89 89 ALA CA C 13 46.369 0.1 . 1 . 295 . . 89 ALA CA . 18708 1 296 . 1 1 89 89 ALA N N 15 128.674 0.1 . 1 . 293 . . 89 ALA N . 18708 1 297 . 1 1 90 90 ASP H H 1 8.455 0.05 . 1 . 298 . . 90 ASP H . 18708 1 298 . 1 1 90 90 ASP C C 13 173.825 0.1 . 1 . 300 . . 90 ASP C . 18708 1 299 . 1 1 90 90 ASP CA C 13 49.347 0.1 . 1 . 299 . . 90 ASP CA . 18708 1 300 . 1 1 90 90 ASP N N 15 124.235 0.1 . 1 . 297 . . 90 ASP N . 18708 1 301 . 1 1 91 91 LYS H H 1 8.231 0.05 . 1 . 302 . . 91 LYS H . 18708 1 302 . 1 1 91 91 LYS C C 13 174.101 0.1 . 1 . 304 . . 91 LYS C . 18708 1 303 . 1 1 91 91 LYS CA C 13 55.279 0.1 . 1 . 303 . . 91 LYS CA . 18708 1 304 . 1 1 91 91 LYS N N 15 114.942 0.1 . 1 . 301 . . 91 LYS N . 18708 1 305 . 1 1 92 92 ASP H H 1 8.109 0.05 . 1 . 306 . . 92 ASP H . 18708 1 306 . 1 1 92 92 ASP C C 13 173.020 0.1 . 1 . 308 . . 92 ASP C . 18708 1 307 . 1 1 92 92 ASP CA C 13 51.127 0.1 . 1 . 307 . . 92 ASP CA . 18708 1 308 . 1 1 92 92 ASP N N 15 119.251 0.1 . 1 . 305 . . 92 ASP N . 18708 1 309 . 1 1 93 93 GLY H H 1 8.405 0.05 . 1 . 310 . . 93 GLY H . 18708 1 310 . 1 1 93 93 GLY C C 13 169.706 0.1 . 1 . 312 . . 93 GLY C . 18708 1 311 . 1 1 93 93 GLY CA C 13 43.763 0.1 . 1 . 311 . . 93 GLY CA . 18708 1 312 . 1 1 93 93 GLY N N 15 110.868 0.1 . 1 . 309 . . 93 GLY N . 18708 1 313 . 1 1 94 94 VAL H H 1 7.814 0.05 . 1 . 314 . . 94 VAL H . 18708 1 314 . 1 1 94 94 VAL C C 13 173.510 0.1 . 1 . 316 . . 94 VAL C . 18708 1 315 . 1 1 94 94 VAL CA C 13 58.185 0.1 . 1 . 315 . . 94 VAL CA . 18708 1 316 . 1 1 94 94 VAL N N 15 118.755 0.1 . 1 . 313 . . 94 VAL N . 18708 1 317 . 1 1 95 95 ALA H H 1 9.763 0.05 . 1 . 318 . . 95 ALA H . 18708 1 318 . 1 1 95 95 ALA C C 13 171.635 0.1 . 1 . 320 . . 95 ALA C . 18708 1 319 . 1 1 95 95 ALA CA C 13 46.914 0.1 . 1 . 319 . . 95 ALA CA . 18708 1 320 . 1 1 95 95 ALA N N 15 131.313 0.1 . 1 . 317 . . 95 ALA N . 18708 1 321 . 1 1 96 96 ASP H H 1 8.515 0.05 . 1 . 322 . . 96 ASP H . 18708 1 322 . 1 1 96 96 ASP C C 13 172.336 0.1 . 1 . 323 . . 96 ASP C . 18708 1 323 . 1 1 96 96 ASP N N 15 125.170 0.1 . 1 . 321 . . 96 ASP N . 18708 1 324 . 1 1 97 97 VAL H H 1 8.703 0.05 . 1 . 325 . . 97 VAL H . 18708 1 325 . 1 1 97 97 VAL C C 13 173.488 0.1 . 1 . 327 . . 97 VAL C . 18708 1 326 . 1 1 97 97 VAL CA C 13 58.243 0.1 . 1 . 326 . . 97 VAL CA . 18708 1 327 . 1 1 97 97 VAL N N 15 125.879 0.1 . 1 . 324 . . 97 VAL N . 18708 1 328 . 1 1 98 98 SER H H 1 8.784 0.05 . 1 . 329 . . 98 SER H . 18708 1 329 . 1 1 98 98 SER C C 13 169.715 0.1 . 1 . 331 . . 98 SER C . 18708 1 330 . 1 1 98 98 SER CA C 13 55.068 0.1 . 1 . 330 . . 98 SER CA . 18708 1 331 . 1 1 98 98 SER N N 15 123.017 0.1 . 1 . 328 . . 98 SER N . 18708 1 332 . 1 1 99 99 ILE H H 1 9.411 0.05 . 1 . 333 . . 99 ILE H . 18708 1 333 . 1 1 99 99 ILE C C 13 171.321 0.1 . 1 . 335 . . 99 ILE C . 18708 1 334 . 1 1 99 99 ILE CA C 13 57.155 0.1 . 1 . 334 . . 99 ILE CA . 18708 1 335 . 1 1 99 99 ILE N N 15 125.807 0.1 . 1 . 332 . . 99 ILE N . 18708 1 336 . 1 1 100 100 GLU H H 1 8.652 0.05 . 1 . 337 . . 100 GLU H . 18708 1 337 . 1 1 100 100 GLU C C 13 172.098 0.1 . 1 . 339 . . 100 GLU C . 18708 1 338 . 1 1 100 100 GLU CA C 13 52.290 0.1 . 1 . 338 . . 100 GLU CA . 18708 1 339 . 1 1 100 100 GLU N N 15 124.068 0.1 . 1 . 336 . . 100 GLU N . 18708 1 340 . 1 1 101 101 ASP H H 1 9.317 0.05 . 1 . 341 . . 101 ASP H . 18708 1 341 . 1 1 101 101 ASP C C 13 171.144 0.1 . 1 . 343 . . 101 ASP C . 18708 1 342 . 1 1 101 101 ASP CA C 13 51.419 0.1 . 1 . 342 . . 101 ASP CA . 18708 1 343 . 1 1 101 101 ASP N N 15 126.109 0.1 . 1 . 340 . . 101 ASP N . 18708 1 344 . 1 1 102 102 SER H H 1 8.933 0.05 . 1 . 345 . . 102 SER H . 18708 1 345 . 1 1 102 102 SER C C 13 171.596 0.1 . 1 . 347 . . 102 SER C . 18708 1 346 . 1 1 102 102 SER CA C 13 55.245 0.1 . 1 . 346 . . 102 SER CA . 18708 1 347 . 1 1 102 102 SER N N 15 118.470 0.1 . 1 . 344 . . 102 SER N . 18708 1 348 . 1 1 103 103 VAL H H 1 8.148 0.05 . 1 . 349 . . 103 VAL H . 18708 1 349 . 1 1 103 103 VAL CA C 13 61.450 0.1 . 1 . 350 . . 103 VAL CA . 18708 1 350 . 1 1 103 103 VAL N N 15 123.179 0.1 . 1 . 348 . . 103 VAL N . 18708 1 351 . 1 1 104 104 ILE C C 13 169.576 0.1 . 1 . 352 . . 104 ILE C . 18708 1 352 . 1 1 104 104 ILE CA C 13 60.194 0.1 . 1 . 351 . . 104 ILE CA . 18708 1 353 . 1 1 105 105 SER H H 1 6.988 0.05 . 1 . 354 . . 105 SER H . 18708 1 354 . 1 1 105 105 SER C C 13 170.046 0.1 . 1 . 356 . . 105 SER C . 18708 1 355 . 1 1 105 105 SER CA C 13 52.550 0.1 . 1 . 355 . . 105 SER CA . 18708 1 356 . 1 1 105 105 SER N N 15 107.618 0.1 . 1 . 353 . . 105 SER N . 18708 1 357 . 1 1 106 106 LEU H H 1 8.313 0.05 . 1 . 358 . . 106 LEU H . 18708 1 358 . 1 1 106 106 LEU N N 15 120.137 0.1 . 1 . 357 . . 106 LEU N . 18708 1 359 . 1 1 107 107 SER C C 13 170.701 0.1 . 1 . 360 . . 107 SER C . 18708 1 360 . 1 1 107 107 SER CA C 13 54.540 0.1 . 1 . 359 . . 107 SER CA . 18708 1 361 . 1 1 108 108 GLY H H 1 8.717 0.05 . 1 . 362 . . 108 GLY H . 18708 1 362 . 1 1 108 108 GLY C C 13 173.128 0.1 . 1 . 364 . . 108 GLY C . 18708 1 363 . 1 1 108 108 GLY CA C 13 41.287 0.1 . 1 . 363 . . 108 GLY CA . 18708 1 364 . 1 1 108 108 GLY N N 15 107.603 0.1 . 1 . 361 . . 108 GLY N . 18708 1 365 . 1 1 109 109 ASP H H 1 9.019 0.05 . 1 . 366 . . 109 ASP H . 18708 1 366 . 1 1 109 109 ASP C C 13 171.904 0.1 . 1 . 367 . . 109 ASP C . 18708 1 367 . 1 1 109 109 ASP N N 15 120.664 0.1 . 1 . 365 . . 109 ASP N . 18708 1 368 . 1 1 110 110 HIS H H 1 9.283 0.05 . 1 . 369 . . 110 HIS H . 18708 1 369 . 1 1 110 110 HIS N N 15 116.324 0.1 . 1 . 368 . . 110 HIS N . 18708 1 370 . 1 1 111 111 SER H H 1 7.156 0.05 . 1 . 371 . . 111 SER H . 18708 1 371 . 1 1 111 111 SER CA C 13 54.681 0.1 . 1 . 372 . . 111 SER CA . 18708 1 372 . 1 1 111 111 SER N N 15 110.225 0.1 . 1 . 370 . . 111 SER N . 18708 1 373 . 1 1 112 112 ILE H H 1 7.837 0.05 . 1 . 374 . . 112 ILE H . 18708 1 374 . 1 1 112 112 ILE C C 13 171.419 0.1 . 1 . 376 . . 112 ILE C . 18708 1 375 . 1 1 112 112 ILE CA C 13 57.239 0.1 . 1 . 375 . . 112 ILE CA . 18708 1 376 . 1 1 112 112 ILE N N 15 117.053 0.1 . 1 . 373 . . 112 ILE N . 18708 1 377 . 1 1 113 113 ILE H H 1 7.592 0.05 . 1 . 378 . . 113 ILE H . 18708 1 378 . 1 1 113 113 ILE C C 13 173.604 0.1 . 1 . 380 . . 113 ILE C . 18708 1 379 . 1 1 113 113 ILE CA C 13 58.318 0.1 . 1 . 379 . . 113 ILE CA . 18708 1 380 . 1 1 113 113 ILE N N 15 121.032 0.1 . 1 . 377 . . 113 ILE N . 18708 1 381 . 1 1 114 114 GLY H H 1 9.575 0.05 . 1 . 382 . . 114 GLY H . 18708 1 382 . 1 1 114 114 GLY C C 13 169.739 0.1 . 1 . 384 . . 114 GLY C . 18708 1 383 . 1 1 114 114 GLY CA C 13 41.910 0.1 . 1 . 383 . . 114 GLY CA . 18708 1 384 . 1 1 114 114 GLY N N 15 112.661 0.1 . 1 . 381 . . 114 GLY N . 18708 1 385 . 1 1 115 115 ARG H H 1 7.464 0.05 . 1 . 386 . . 115 ARG H . 18708 1 386 . 1 1 115 115 ARG C C 13 171.079 0.1 . 1 . 388 . . 115 ARG C . 18708 1 387 . 1 1 115 115 ARG CA C 13 51.663 0.1 . 1 . 387 . . 115 ARG CA . 18708 1 388 . 1 1 115 115 ARG N N 15 118.398 0.1 . 1 . 385 . . 115 ARG N . 18708 1 389 . 1 1 116 116 THR H H 1 6.677 0.05 . 1 . 390 . . 116 THR H . 18708 1 390 . 1 1 116 116 THR C C 13 169.821 0.1 . 1 . 392 . . 116 THR C . 18708 1 391 . 1 1 116 116 THR CA C 13 59.633 0.1 . 1 . 391 . . 116 THR CA . 18708 1 392 . 1 1 116 116 THR N N 15 112.218 0.1 . 1 . 389 . . 116 THR N . 18708 1 393 . 1 1 117 117 LEU H H 1 8.799 0.05 . 1 . 394 . . 117 LEU H . 18708 1 394 . 1 1 117 117 LEU C C 13 171.126 0.1 . 1 . 396 . . 117 LEU C . 18708 1 395 . 1 1 117 117 LEU CA C 13 50.415 0.1 . 1 . 395 . . 117 LEU CA . 18708 1 396 . 1 1 117 117 LEU N N 15 129.477 0.1 . 1 . 393 . . 117 LEU N . 18708 1 397 . 1 1 118 118 VAL H H 1 8.906 0.05 . 1 . 398 . . 118 VAL H . 18708 1 398 . 1 1 118 118 VAL C C 13 170.267 0.1 . 1 . 400 . . 118 VAL C . 18708 1 399 . 1 1 118 118 VAL CA C 13 58.139 0.1 . 1 . 399 . . 118 VAL CA . 18708 1 400 . 1 1 118 118 VAL N N 15 125.091 0.1 . 1 . 397 . . 118 VAL N . 18708 1 401 . 1 1 119 119 VAL H H 1 7.982 0.05 . 1 . 402 . . 119 VAL H . 18708 1 402 . 1 1 119 119 VAL C C 13 171.175 0.1 . 1 . 404 . . 119 VAL C . 18708 1 403 . 1 1 119 119 VAL CA C 13 55.271 0.1 . 1 . 403 . . 119 VAL CA . 18708 1 404 . 1 1 119 119 VAL N N 15 120.716 0.1 . 1 . 401 . . 119 VAL N . 18708 1 405 . 1 1 120 120 HIS H H 1 8.935 0.05 . 1 . 406 . . 120 HIS H . 18708 1 406 . 1 1 120 120 HIS C C 13 172.599 0.1 . 1 . 408 . . 120 HIS C . 18708 1 407 . 1 1 120 120 HIS CA C 13 53.394 0.1 . 1 . 407 . . 120 HIS CA . 18708 1 408 . 1 1 120 120 HIS N N 15 125.052 0.1 . 1 . 405 . . 120 HIS N . 18708 1 409 . 1 1 121 121 GLU H H 1 9.178 0.05 . 1 . 410 . . 121 GLU H . 18708 1 410 . 1 1 121 121 GLU C C 13 172.304 0.1 . 1 . 412 . . 121 GLU C . 18708 1 411 . 1 1 121 121 GLU CA C 13 56.090 0.1 . 1 . 411 . . 121 GLU CA . 18708 1 412 . 1 1 121 121 GLU N N 15 121.453 0.1 . 1 . 409 . . 121 GLU N . 18708 1 413 . 1 1 122 122 LYS H H 1 8.478 0.05 . 1 . 414 . . 122 LYS H . 18708 1 414 . 1 1 122 122 LYS C C 13 171.523 0.1 . 1 . 416 . . 122 LYS C . 18708 1 415 . 1 1 122 122 LYS CA C 13 50.619 0.1 . 1 . 415 . . 122 LYS CA . 18708 1 416 . 1 1 122 122 LYS N N 15 115.248 0.1 . 1 . 413 . . 122 LYS N . 18708 1 417 . 1 1 123 123 ALA H H 1 7.796 0.05 . 1 . 418 . . 123 ALA H . 18708 1 418 . 1 1 123 123 ALA C C 13 173.219 0.1 . 1 . 420 . . 123 ALA C . 18708 1 419 . 1 1 123 123 ALA CA C 13 48.850 0.1 . 1 . 419 . . 123 ALA CA . 18708 1 420 . 1 1 123 123 ALA N N 15 120.866 0.1 . 1 . 417 . . 123 ALA N . 18708 1 421 . 1 1 124 124 ASP H H 1 10.165 0.05 . 1 . 422 . . 124 ASP H . 18708 1 422 . 1 1 124 124 ASP C C 13 174.458 0.1 . 1 . 424 . . 124 ASP C . 18708 1 423 . 1 1 124 124 ASP CA C 13 49.408 0.1 . 1 . 423 . . 124 ASP CA . 18708 1 424 . 1 1 124 124 ASP N N 15 121.799 0.1 . 1 . 421 . . 124 ASP N . 18708 1 425 . 1 1 125 125 ASP H H 1 10.055 0.05 . 1 . 426 . . 125 ASP H . 18708 1 426 . 1 1 125 125 ASP C C 13 175.231 0.1 . 1 . 428 . . 125 ASP C . 18708 1 427 . 1 1 125 125 ASP CA C 13 50.939 0.1 . 1 . 427 . . 125 ASP CA . 18708 1 428 . 1 1 125 125 ASP N N 15 129.369 0.1 . 1 . 425 . . 125 ASP N . 18708 1 429 . 1 1 126 126 LEU H H 1 10.483 0.05 . 1 . 430 . . 126 LEU H . 18708 1 430 . 1 1 126 126 LEU C C 13 173.964 0.1 . 1 . 431 . . 126 LEU C . 18708 1 431 . 1 1 126 126 LEU N N 15 117.190 0.1 . 1 . 429 . . 126 LEU N . 18708 1 432 . 1 1 127 127 GLY H H 1 8.637 0.05 . 1 . 433 . . 127 GLY H . 18708 1 433 . 1 1 127 127 GLY CA C 13 42.878 0.1 . 1 . 434 . . 127 GLY CA . 18708 1 434 . 1 1 127 127 GLY N N 15 103.809 0.1 . 1 . 432 . . 127 GLY N . 18708 1 435 . 1 1 128 128 LYS H H 1 7.158 0.05 . 1 . 436 . . 128 LYS H . 18708 1 436 . 1 1 128 128 LYS CA C 13 51.740 0.1 . 1 . 437 . . 128 LYS CA . 18708 1 437 . 1 1 128 128 LYS N N 15 118.290 0.1 . 1 . 435 . . 128 LYS N . 18708 1 438 . 1 1 129 129 GLY H H 1 8.913 0.05 . 1 . 439 . . 129 GLY H . 18708 1 439 . 1 1 129 129 GLY C C 13 171.524 0.1 . 1 . 441 . . 129 GLY C . 18708 1 440 . 1 1 129 129 GLY CA C 13 42.113 0.1 . 1 . 440 . . 129 GLY CA . 18708 1 441 . 1 1 129 129 GLY N N 15 108.507 0.1 . 1 . 438 . . 129 GLY N . 18708 1 442 . 1 1 130 130 GLY H H 1 8.723 0.05 . 1 . 443 . . 130 GLY H . 18708 1 443 . 1 1 130 130 GLY C C 13 169.994 0.1 . 1 . 445 . . 130 GLY C . 18708 1 444 . 1 1 130 130 GLY CA C 13 42.419 0.1 . 1 . 444 . . 130 GLY CA . 18708 1 445 . 1 1 130 130 GLY N N 15 108.537 0.1 . 1 . 442 . . 130 GLY N . 18708 1 446 . 1 1 131 131 ASN H H 1 7.152 0.05 . 1 . 447 . . 131 ASN H . 18708 1 447 . 1 1 131 131 ASN C C 13 172.236 0.1 . 1 . 448 . . 131 ASN C . 18708 1 448 . 1 1 131 131 ASN N N 15 111.951 0.1 . 1 . 446 . . 131 ASN N . 18708 1 449 . 1 1 132 132 GLU H H 1 8.935 0.05 . 1 . 450 . . 132 GLU H . 18708 1 450 . 1 1 132 132 GLU C C 13 171.084 0.1 . 1 . 451 . . 132 GLU C . 18708 1 451 . 1 1 132 132 GLU N N 15 120.461 0.1 . 1 . 449 . . 132 GLU N . 18708 1 452 . 1 1 133 133 GLU H H 1 8.775 0.05 . 1 . 453 . . 133 GLU H . 18708 1 453 . 1 1 133 133 GLU C C 13 176.239 0.1 . 1 . 454 . . 133 GLU C . 18708 1 454 . 1 1 133 133 GLU N N 15 120.137 0.1 . 1 . 452 . . 133 GLU N . 18708 1 455 . 1 1 134 134 SER H H 1 8.117 0.05 . 1 . 456 . . 134 SER H . 18708 1 456 . 1 1 134 134 SER CA C 13 59.046 0.1 . 1 . 457 . . 134 SER CA . 18708 1 457 . 1 1 134 134 SER N N 15 114.981 0.1 . 1 . 455 . . 134 SER N . 18708 1 458 . 1 1 135 135 THR H H 1 7.206 0.05 . 1 . 459 . . 135 THR H . 18708 1 459 . 1 1 135 135 THR C C 13 172.804 0.1 . 1 . 461 . . 135 THR C . 18708 1 460 . 1 1 135 135 THR CA C 13 60.029 0.1 . 1 . 460 . . 135 THR CA . 18708 1 461 . 1 1 135 135 THR N N 15 102.263 0.1 . 1 . 458 . . 135 THR N . 18708 1 462 . 1 1 136 136 LYS H H 1 7.884 0.05 . 1 . 463 . . 136 LYS H . 18708 1 463 . 1 1 136 136 LYS N N 15 122.108 0.1 . 1 . 462 . . 136 LYS N . 18708 1 464 . 1 1 137 137 THR H H 1 8.630 0.05 . 1 . 465 . . 137 THR H . 18708 1 465 . 1 1 137 137 THR N N 15 105.718 0.1 . 1 . 464 . . 137 THR N . 18708 1 466 . 1 1 138 138 GLY H H 1 7.426 0.05 . 1 . 467 . . 138 GLY H . 18708 1 467 . 1 1 138 138 GLY CA C 13 42.483 0.1 . 1 . 468 . . 138 GLY CA . 18708 1 468 . 1 1 138 138 GLY N N 15 111.372 0.1 . 1 . 466 . . 138 GLY N . 18708 1 469 . 1 1 139 139 ASN H H 1 7.545 0.05 . 1 . 470 . . 139 ASN H . 18708 1 470 . 1 1 139 139 ASN N N 15 107.496 0.1 . 1 . 469 . . 139 ASN N . 18708 1 471 . 1 1 140 140 ALA H H 1 6.368 0.05 . 1 . 472 . . 140 ALA H . 18708 1 472 . 1 1 140 140 ALA C C 13 173.571 0.1 . 1 . 473 . . 140 ALA C . 18708 1 473 . 1 1 140 140 ALA N N 15 114.542 0.1 . 1 . 471 . . 140 ALA N . 18708 1 474 . 1 1 141 141 GLY H H 1 8.271 0.05 . 1 . 475 . . 141 GLY H . 18708 1 475 . 1 1 141 141 GLY C C 13 173.542 0.1 . 1 . 476 . . 141 GLY C . 18708 1 476 . 1 1 141 141 GLY N N 15 105.287 0.1 . 1 . 474 . . 141 GLY N . 18708 1 477 . 1 1 142 142 SER H H 1 9.196 0.05 . 1 . 478 . . 142 SER H . 18708 1 478 . 1 1 142 142 SER C C 13 170.188 0.1 . 1 . 479 . . 142 SER C . 18708 1 479 . 1 1 142 142 SER N N 15 118.771 0.1 . 1 . 477 . . 142 SER N . 18708 1 480 . 1 1 143 143 ARG H H 1 8.943 0.05 . 1 . 481 . . 143 ARG H . 18708 1 481 . 1 1 143 143 ARG C C 13 171.596 0.1 . 1 . 482 . . 143 ARG C . 18708 1 482 . 1 1 143 143 ARG N N 15 120.189 0.1 . 1 . 480 . . 143 ARG N . 18708 1 483 . 1 1 144 144 LEU H H 1 8.395 0.05 . 1 . 484 . . 144 LEU H . 18708 1 484 . 1 1 144 144 LEU C C 13 174.393 0.1 . 1 . 486 . . 144 LEU C . 18708 1 485 . 1 1 144 144 LEU CA C 13 53.375 0.1 . 1 . 485 . . 144 LEU CA . 18708 1 486 . 1 1 144 144 LEU N N 15 122.907 0.1 . 1 . 483 . . 144 LEU N . 18708 1 487 . 1 1 145 145 ALA H H 1 7.356 0.05 . 1 . 488 . . 145 ALA H . 18708 1 488 . 1 1 145 145 ALA C C 13 171.752 0.1 . 1 . 490 . . 145 ALA C . 18708 1 489 . 1 1 145 145 ALA CA C 13 48.129 0.1 . 1 . 489 . . 145 ALA CA . 18708 1 490 . 1 1 145 145 ALA N N 15 114.159 0.1 . 1 . 487 . . 145 ALA N . 18708 1 491 . 1 1 146 146 CYS H H 1 9.008 0.05 . 1 . 492 . . 146 CYS H . 18708 1 492 . 1 1 146 146 CYS C C 13 170.087 0.1 . 1 . 494 . . 146 CYS C . 18708 1 493 . 1 1 146 146 CYS CA C 13 51.077 0.1 . 1 . 493 . . 146 CYS CA . 18708 1 494 . 1 1 146 146 CYS N N 15 110.738 0.1 . 1 . 491 . . 146 CYS N . 18708 1 495 . 1 1 147 147 GLY H H 1 8.018 0.05 . 1 . 496 . . 147 GLY H . 18708 1 496 . 1 1 147 147 GLY C C 13 167.909 0.1 . 1 . 498 . . 147 GLY C . 18708 1 497 . 1 1 147 147 GLY CA C 13 42.674 0.1 . 1 . 497 . . 147 GLY CA . 18708 1 498 . 1 1 147 147 GLY N N 15 106.461 0.1 . 1 . 495 . . 147 GLY N . 18708 1 499 . 1 1 148 148 VAL H H 1 8.434 0.05 . 1 . 500 . . 148 VAL H . 18708 1 500 . 1 1 148 148 VAL C C 13 172.084 0.1 . 1 . 502 . . 148 VAL C . 18708 1 501 . 1 1 148 148 VAL CA C 13 59.635 0.1 . 1 . 501 . . 148 VAL CA . 18708 1 502 . 1 1 148 148 VAL N N 15 124.054 0.1 . 1 . 499 . . 148 VAL N . 18708 1 503 . 1 1 149 149 ILE H H 1 8.613 0.05 . 1 . 504 . . 149 ILE H . 18708 1 504 . 1 1 149 149 ILE C C 13 171.804 0.1 . 1 . 506 . . 149 ILE C . 18708 1 505 . 1 1 149 149 ILE CA C 13 59.184 0.1 . 1 . 505 . . 149 ILE CA . 18708 1 506 . 1 1 149 149 ILE N N 15 126.918 0.1 . 1 . 503 . . 149 ILE N . 18708 1 507 . 1 1 150 150 GLY H H 1 9.283 0.05 . 1 . 508 . . 150 GLY H . 18708 1 508 . 1 1 150 150 GLY C C 13 170.188 0.1 . 1 . 510 . . 150 GLY C . 18708 1 509 . 1 1 150 150 GLY CA C 13 40.120 0.1 . 1 . 509 . . 150 GLY CA . 18708 1 510 . 1 1 150 150 GLY N N 15 116.493 0.1 . 1 . 507 . . 150 GLY N . 18708 1 511 . 1 1 151 151 ILE H H 1 8.943 0.05 . 1 . 512 . . 151 ILE H . 18708 1 512 . 1 1 151 151 ILE C C 13 172.231 0.1 . 1 . 514 . . 151 ILE C . 18708 1 513 . 1 1 151 151 ILE CA C 13 60.372 0.1 . 1 . 513 . . 151 ILE CA . 18708 1 514 . 1 1 151 151 ILE N N 15 120.189 0.1 . 1 . 511 . . 151 ILE N . 18708 1 515 . 1 1 152 152 ALA H H 1 8.170 0.05 . 1 . 516 . . 152 ALA H . 18708 1 516 . 1 1 152 152 ALA CA C 13 46.772 0.1 . 1 . 517 . . 152 ALA CA . 18708 1 517 . 1 1 152 152 ALA N N 15 129.719 0.1 . 1 . 515 . . 152 ALA N . 18708 1 stop_ save_