################################### # 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_CSR_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CSR_1 _Assigned_chem_shift_list.Entry_ID 5592 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; The first three N-terminal residues, GAM, were not derived from GMEB1 but from the linker resulting from cleavage of the N-terminal Histag. Signals for some residues, mostly occuring in flexible loops or solvent-exposed regions, were not observed in the NMR spectra and so no chemical shift information is given for these residues. ; _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 $Sample_1 . 5592 1 . . 2 $Sample_2 . 5592 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 1 1 GLY H H 1 7.261 0.02 . 1 . . . . 86 . . . 5592 1 2 . 1 1 1 1 GLY N N 15 110.07 0.06 . 1 . . . . 86 . . . 5592 1 3 . 1 1 1 1 GLY CA C 13 40.95 0.14 . 1 . . . . 86 . . . 5592 1 4 . 1 1 1 1 GLY HA2 H 1 3.22 0.02 . 1 . . . . 86 . . . 5592 1 5 . 1 1 1 1 GLY C C 13 171.35 0.14 . 1 . . . . 86 . . . 5592 1 6 . 1 1 2 2 ALA H H 1 8.812 0.02 . 1 . . . . 87 . . . 5592 1 7 . 1 1 2 2 ALA N N 15 124.148 0.06 . 1 . . . . 87 . . . 5592 1 8 . 1 1 2 2 ALA CA C 13 50.95 0.14 . 1 . . . . 87 . . . 5592 1 9 . 1 1 2 2 ALA HA H 1 4.33 0.02 . 1 . . . . 87 . . . 5592 1 10 . 1 1 2 2 ALA C C 13 174.58 0.14 . 1 . . . . 87 . . . 5592 1 11 . 1 1 2 2 ALA CB C 13 16.96 0.14 . 1 . . . . 87 . . . 5592 1 12 . 1 1 3 3 MET H H 1 8.721 0.02 . 1 . . . . 88 . . . 5592 1 13 . 1 1 3 3 MET N N 15 118.663 0.06 . 1 . . . . 88 . . . 5592 1 14 . 1 1 3 3 MET CA C 13 54.14 0.14 . 1 . . . . 88 . . . 5592 1 15 . 1 1 3 3 MET HA H 1 4.37 0.02 . 1 . . . . 88 . . . 5592 1 16 . 1 1 3 3 MET C C 13 174.71 0.14 . 1 . . . . 88 . . . 5592 1 17 . 1 1 3 3 MET CB C 13 29.96 0.14 . 1 . . . . 88 . . . 5592 1 18 . 1 1 4 4 GLU H H 1 8.463 0.02 . 1 . . . . 89 . . . 5592 1 19 . 1 1 4 4 GLU N N 15 120.537 0.06 . 1 . . . . 89 . . . 5592 1 20 . 1 1 4 4 GLU CA C 13 55.4 0.14 . 1 . . . . 89 . . . 5592 1 21 . 1 1 4 4 GLU HA H 1 4.21 0.02 . 1 . . . . 89 . . . 5592 1 22 . 1 1 4 4 GLU C C 13 174.29 0.14 . 1 . . . . 89 . . . 5592 1 23 . 1 1 4 4 GLU CB C 13 27.33 0.14 . 1 . . . . 89 . . . 5592 1 24 . 1 1 5 5 ASP H H 1 8.234 0.02 . 1 . . . . 90 . . . 5592 1 25 . 1 1 5 5 ASP N N 15 119.961 0.06 . 1 . . . . 90 . . . 5592 1 26 . 1 1 5 5 ASP CA C 13 52.19 0.14 . 1 . . . . 90 . . . 5592 1 27 . 1 1 5 5 ASP HA H 1 4.57 0.02 . 1 . . . . 90 . . . 5592 1 28 . 1 1 5 5 ASP C C 13 173.79 0.14 . 1 . . . . 90 . . . 5592 1 29 . 1 1 5 5 ASP CB C 13 38.62 0.14 . 1 . . . . 90 . . . 5592 1 30 . 1 1 6 6 MET H H 1 7.895 0.02 . 1 . . . . 91 . . . 5592 1 31 . 1 1 6 6 MET N N 15 119.6 0.06 . 1 . . . . 91 . . . 5592 1 32 . 1 1 6 6 MET CA C 13 53.53 0.14 . 1 . . . . 91 . . . 5592 1 33 . 1 1 6 6 MET HA H 1 4.51 0.02 . 1 . . . . 91 . . . 5592 1 34 . 1 1 6 6 MET CB C 13 31.62 0.14 . 1 . . . . 91 . . . 5592 1 35 . 1 1 7 7 GLU HA H 1 4.3 0.02 . 1 . . . . 92 . . . 5592 1 36 . 1 1 7 7 GLU C C 13 177.84 0.14 . 1 . . . . 92 . . . 5592 1 37 . 1 1 8 8 ILE H H 1 8.775 0.02 . 1 . . . . 93 . . . 5592 1 38 . 1 1 8 8 ILE N N 15 122.804 0.06 . 1 . . . . 93 . . . 5592 1 39 . 1 1 8 8 ILE CA C 13 55.06 0.14 . 1 . . . . 93 . . . 5592 1 40 . 1 1 8 8 ILE HA H 1 4.41 0.02 . 1 . . . . 93 . . . 5592 1 41 . 1 1 8 8 ILE C C 13 175.63 0.14 . 1 . . . . 93 . . . 5592 1 42 . 1 1 8 8 ILE CB C 13 37.66 0.14 . 1 . . . . 93 . . . 5592 1 43 . 1 1 9 9 ALA H H 1 7.764 0.02 . 1 . . . . 94 . . . 5592 1 44 . 1 1 9 9 ALA N N 15 110.46 0.06 . 1 . . . . 94 . . . 5592 1 45 . 1 1 9 9 ALA CA C 13 40.67 0.14 . 1 . . . . 94 . . . 5592 1 46 . 1 1 9 9 ALA HA H 1 4.53 0.02 . 1 . . . . 94 . . . 5592 1 47 . 1 1 9 9 ALA CB C 13 23.84 0.14 . 1 . . . . 94 . . . 5592 1 48 . 1 1 10 10 TYR HA H 1 4.7 0.02 . 1 . . . . 95 . . . 5592 1 49 . 1 1 11 11 PRO CA C 13 60.69 0.14 . 1 . . . . 96 . . . 5592 1 50 . 1 1 11 11 PRO HA H 1 4.59 0.02 . 1 . . . . 96 . . . 5592 1 51 . 1 1 11 11 PRO C C 13 174.56 0.14 . 1 . . . . 96 . . . 5592 1 52 . 1 1 11 11 PRO CB C 13 29.2 0.14 . 1 . . . . 96 . . . 5592 1 53 . 1 1 12 12 ILE H H 1 8.678 0.02 . 1 . . . . 97 . . . 5592 1 54 . 1 1 12 12 ILE N N 15 117.913 0.06 . 1 . . . . 97 . . . 5592 1 55 . 1 1 12 12 ILE CA C 13 56.81 0.14 . 1 . . . . 97 . . . 5592 1 56 . 1 1 12 12 ILE HA H 1 5.63 0.02 . 1 . . . . 97 . . . 5592 1 57 . 1 1 12 12 ILE C C 13 173.4 0.14 . 1 . . . . 97 . . . 5592 1 58 . 1 1 12 12 ILE CB C 13 40.88 0.14 . 1 . . . . 97 . . . 5592 1 59 . 1 1 13 13 THR H H 1 9.357 0.02 . 1 . . . . 98 . . . 5592 1 60 . 1 1 13 13 THR N N 15 111.18 0.06 . 1 . . . . 98 . . . 5592 1 61 . 1 1 13 13 THR CA C 13 57.33 0.14 . 1 . . . . 98 . . . 5592 1 62 . 1 1 13 13 THR HA H 1 5.54 0.02 . 1 . . . . 98 . . . 5592 1 63 . 1 1 13 13 THR C C 13 171.8 0.14 . 1 . . . . 98 . . . 5592 1 64 . 1 1 13 13 THR CB C 13 70.56 0.14 . 1 . . . . 98 . . . 5592 1 65 . 1 1 14 14 CYS H H 1 8.278 0.02 . 1 . . . . 99 . . . 5592 1 66 . 1 1 14 14 CYS N N 15 120.343 0.06 . 1 . . . . 99 . . . 5592 1 67 . 1 1 14 14 CYS CA C 13 57.34 0.14 . 1 . . . . 99 . . . 5592 1 68 . 1 1 14 14 CYS HA H 1 4.45 0.02 . 1 . . . . 99 . . . 5592 1 69 . 1 1 14 14 CYS C C 13 174.13 0.14 . 1 . . . . 99 . . . 5592 1 70 . 1 1 14 14 CYS CB C 13 25.78 0.14 . 1 . . . . 99 . . . 5592 1 71 . 1 1 15 15 GLY H H 1 9.19 0.02 . 1 . . . . 100 . . . 5592 1 72 . 1 1 15 15 GLY N N 15 118.844 0.06 . 1 . . . . 100 . . . 5592 1 73 . 1 1 15 15 GLY CA C 13 44.97 0.14 . 1 . . . . 100 . . . 5592 1 74 . 1 1 15 15 GLY HA2 H 1 3.8 0.02 . 1 . . . . 100 . . . 5592 1 75 . 1 1 15 15 GLY HA3 H 1 4.0 0.02 . 1 . . . . 100 . . . 5592 1 76 . 1 1 15 15 GLY C C 13 169.81 0.14 . 1 . . . . 100 . . . 5592 1 77 . 1 1 16 16 GLU H H 1 8.984 0.02 . 1 . . . . 101 . . . 5592 1 78 . 1 1 16 16 GLU N N 15 127.07 0.06 . 1 . . . . 101 . . . 5592 1 79 . 1 1 16 16 GLU CA C 13 54.01 0.14 . 1 . . . . 101 . . . 5592 1 80 . 1 1 16 16 GLU HA H 1 4.45 0.02 . 1 . . . . 101 . . . 5592 1 81 . 1 1 16 16 GLU C C 13 174.31 0.14 . 1 . . . . 101 . . . 5592 1 82 . 1 1 16 16 GLU CB C 13 27.54 0.14 . 1 . . . . 101 . . . 5592 1 83 . 1 1 17 17 SER H H 1 8.483 0.02 . 1 . . . . 102 . . . 5592 1 84 . 1 1 17 17 SER N N 15 117.9 0.06 . 1 . . . . 102 . . . 5592 1 85 . 1 1 17 17 SER CA C 13 57.6 0.14 . 1 . . . . 102 . . . 5592 1 86 . 1 1 17 17 SER HA H 1 4.84 0.02 . 1 . . . . 102 . . . 5592 1 87 . 1 1 17 17 SER C C 13 170.5 0.14 . 1 . . . . 102 . . . 5592 1 88 . 1 1 17 17 SER CB C 13 62.46 0.14 . 1 . . . . 102 . . . 5592 1 89 . 1 1 18 18 LYS H H 1 9.0 0.02 . 1 . . . . 103 . . . 5592 1 90 . 1 1 18 18 LYS N N 15 124.38 0.06 . 1 . . . . 103 . . . 5592 1 91 . 1 1 18 18 LYS CA C 13 53.24 0.14 . 1 . . . . 103 . . . 5592 1 92 . 1 1 18 18 LYS HA H 1 5.21 0.02 . 1 . . . . 103 . . . 5592 1 93 . 1 1 18 18 LYS C C 13 172.21 0.14 . 1 . . . . 103 . . . 5592 1 94 . 1 1 18 18 LYS CB C 13 32.83 0.14 . 1 . . . . 103 . . . 5592 1 95 . 1 1 19 19 ALA H H 1 8.88 0.02 . 1 . . . . 104 . . . 5592 1 96 . 1 1 19 19 ALA N N 15 122.829 0.06 . 1 . . . . 104 . . . 5592 1 97 . 1 1 19 19 ALA CA C 13 48.59 0.14 . 1 . . . . 104 . . . 5592 1 98 . 1 1 19 19 ALA HA H 1 4.81 0.02 . 1 . . . . 104 . . . 5592 1 99 . 1 1 19 19 ALA C C 13 172.09 0.14 . 1 . . . . 104 . . . 5592 1 100 . 1 1 19 19 ALA CB C 13 21.46 0.14 . 1 . . . . 104 . . . 5592 1 101 . 1 1 20 20 ILE H H 1 7.772 0.02 . 1 . . . . 105 . . . 5592 1 102 . 1 1 20 20 ILE N N 15 116.492 0.06 . 1 . . . . 105 . . . 5592 1 103 . 1 1 20 20 ILE CA C 13 57.12 0.14 . 1 . . . . 105 . . . 5592 1 104 . 1 1 20 20 ILE HA H 1 4.93 0.02 . 1 . . . . 105 . . . 5592 1 105 . 1 1 20 20 ILE C C 13 171.6 0.14 . 1 . . . . 105 . . . 5592 1 106 . 1 1 20 20 ILE CB C 13 39.62 0.14 . 1 . . . . 105 . . . 5592 1 107 . 1 1 21 21 LEU H H 1 9.588 0.02 . 1 . . . . 106 . . . 5592 1 108 . 1 1 21 21 LEU N N 15 128.541 0.06 . 1 . . . . 106 . . . 5592 1 109 . 1 1 21 21 LEU CA C 13 51.63 0.14 . 1 . . . . 106 . . . 5592 1 110 . 1 1 21 21 LEU HA H 1 4.69 0.02 . 1 . . . . 106 . . . 5592 1 111 . 1 1 21 21 LEU C C 13 172.71 0.14 . 1 . . . . 106 . . . 5592 1 112 . 1 1 21 21 LEU CB C 13 42.49 0.14 . 1 . . . . 106 . . . 5592 1 113 . 1 1 22 22 LEU H H 1 9.052 0.02 . 1 . . . . 107 . . . 5592 1 114 . 1 1 22 22 LEU N N 15 129.332 0.06 . 1 . . . . 107 . . . 5592 1 115 . 1 1 22 22 LEU CA C 13 51.5 0.14 . 1 . . . . 107 . . . 5592 1 116 . 1 1 22 22 LEU HA H 1 4.62 0.02 . 1 . . . . 107 . . . 5592 1 117 . 1 1 22 22 LEU C C 13 172.2 0.14 . 1 . . . . 107 . . . 5592 1 118 . 1 1 22 22 LEU CB C 13 16.38 0.14 . 1 . . . . 107 . . . 5592 1 119 . 1 1 23 23 TRP H H 1 8.784 0.02 . 1 . . . . 108 . . . 5592 1 120 . 1 1 23 23 TRP N N 15 118.613 0.06 . 1 . . . . 108 . . . 5592 1 121 . 1 1 23 23 TRP CA C 13 53.52 0.14 . 1 . . . . 108 . . . 5592 1 122 . 1 1 23 23 TRP HA H 1 4.45 0.02 . 1 . . . . 108 . . . 5592 1 123 . 1 1 23 23 TRP C C 13 173.48 0.14 . 1 . . . . 108 . . . 5592 1 124 . 1 1 23 23 TRP CB C 13 24.08 0.14 . 1 . . . . 108 . . . 5592 1 125 . 1 1 23 23 TRP NE1 N 15 130.670 0.06 . 1 . . . . 108 . . . 5592 1 126 . 1 1 23 23 TRP HE1 H 1 11.074 0.02 . 1 . . . . 108 . . . 5592 1 127 . 1 1 24 24 LYS H H 1 8.569 0.02 . 1 . . . . 109 . . . 5592 1 128 . 1 1 24 24 LYS N N 15 121.678 0.06 . 1 . . . . 109 . . . 5592 1 129 . 1 1 24 24 LYS CA C 13 54.77 0.14 . 1 . . . . 109 . . . 5592 1 130 . 1 1 24 24 LYS HA H 1 4.24 0.02 . 1 . . . . 109 . . . 5592 1 131 . 1 1 24 24 LYS C C 13 173.29 0.14 . 1 . . . . 109 . . . 5592 1 132 . 1 1 24 24 LYS CB C 13 27.56 0.14 . 1 . . . . 109 . . . 5592 1 133 . 1 1 25 25 LYS H H 1 7.228 0.02 . 1 . . . . 110 . . . 5592 1 134 . 1 1 25 25 LYS N N 15 112.334 0.06 . 1 . . . . 110 . . . 5592 1 135 . 1 1 25 25 LYS CA C 13 52.69 0.14 . 1 . . . . 110 . . . 5592 1 136 . 1 1 25 25 LYS HA H 1 4.29 0.02 . 1 . . . . 110 . . . 5592 1 137 . 1 1 25 25 LYS C C 13 174.36 0.14 . 1 . . . . 110 . . . 5592 1 138 . 1 1 25 25 LYS CB C 13 31.53 0.14 . 1 . . . . 110 . . . 5592 1 139 . 1 1 26 26 PHE H H 1 8.083 0.02 . 1 . . . . 111 . . . 5592 1 140 . 1 1 26 26 PHE N N 15 126.756 0.06 . 1 . . . . 111 . . . 5592 1 141 . 1 1 26 26 PHE CA C 13 53.15 0.14 . 1 . . . . 111 . . . 5592 1 142 . 1 1 26 26 PHE HA H 1 4.9 0.02 . 1 . . . . 111 . . . 5592 1 143 . 1 1 26 26 PHE C C 13 170.22 0.14 . 1 . . . . 111 . . . 5592 1 144 . 1 1 26 26 PHE CB C 13 35.94 0.14 . 1 . . . . 111 . . . 5592 1 145 . 1 1 27 27 VAL H H 1 7.31 0.02 . 1 . . . . 112 . . . 5592 1 146 . 1 1 27 27 VAL N N 15 120.502 0.06 . 1 . . . . 112 . . . 5592 1 147 . 1 1 27 27 VAL CA C 13 57.42 0.14 . 1 . . . . 112 . . . 5592 1 148 . 1 1 27 27 VAL HA H 1 4.2 0.02 . 1 . . . . 112 . . . 5592 1 149 . 1 1 27 27 VAL C C 13 171.3 0.14 . 1 . . . . 112 . . . 5592 1 150 . 1 1 27 27 VAL CB C 13 31.36 0.14 . 1 . . . . 112 . . . 5592 1 151 . 1 1 28 28 CYS H H 1 8.785 0.02 . 1 . . . . 113 . . . 5592 1 152 . 1 1 28 28 CYS N N 15 126.78 0.06 . 1 . . . . 113 . . . 5592 1 153 . 1 1 28 28 CYS CA C 13 54.54 0.14 . 1 . . . . 113 . . . 5592 1 154 . 1 1 28 28 CYS HA H 1 4.74 0.02 . 1 . . . . 113 . . . 5592 1 155 . 1 1 28 28 CYS CB C 13 26.58 0.14 . 1 . . . . 113 . . . 5592 1 156 . 1 1 29 29 PRO CA C 13 62.65 0.14 . 1 . . . . 114 . . . 5592 1 157 . 1 1 29 29 PRO HA H 1 5.27 0.02 . 1 . . . . 114 . . . 5592 1 158 . 1 1 29 29 PRO C C 13 175.96 0.14 . 1 . . . . 114 . . . 5592 1 159 . 1 1 29 29 PRO CB C 13 30.22 0.14 . 1 . . . . 114 . . . 5592 1 160 . 1 1 30 30 GLY H H 1 9.108 0.02 . 1 . . . . 115 . . . 5592 1 161 . 1 1 30 30 GLY N N 15 118.357 0.06 . 1 . . . . 115 . . . 5592 1 162 . 1 1 30 30 GLY CA C 13 47.08 0.14 . 1 . . . . 115 . . . 5592 1 163 . 1 1 30 30 GLY HA2 H 1 3.24 0.02 . 1 . . . . 115 . . . 5592 1 164 . 1 1 30 30 GLY HA3 H 1 4.22 0.02 . 1 . . . . 115 . . . 5592 1 165 . 1 1 30 30 GLY C C 13 172.64 0.14 . 1 . . . . 115 . . . 5592 1 166 . 1 1 31 31 ILE H H 1 7.522 0.02 . 1 . . . . 116 . . . 5592 1 167 . 1 1 31 31 ILE N N 15 121.479 0.06 . 1 . . . . 116 . . . 5592 1 168 . 1 1 31 31 ILE CA C 13 62.13 0.14 . 1 . . . . 116 . . . 5592 1 169 . 1 1 31 31 ILE HA H 1 4.25 0.02 . 1 . . . . 116 . . . 5592 1 170 . 1 1 31 31 ILE C C 13 170.17 0.14 . 1 . . . . 116 . . . 5592 1 171 . 1 1 31 31 ILE CB C 13 36.41 0.14 . 1 . . . . 116 . . . 5592 1 172 . 1 1 32 32 ASN H H 1 7.776 0.02 . 1 . . . . 117 . . . 5592 1 173 . 1 1 32 32 ASN N N 15 114.57 0.06 . 1 . . . . 117 . . . 5592 1 174 . 1 1 32 32 ASN CA C 13 49.6 0.14 . 1 . . . . 117 . . . 5592 1 175 . 1 1 32 32 ASN HA H 1 5.02 0.02 . 1 . . . . 117 . . . 5592 1 176 . 1 1 32 32 ASN C C 13 172.55 0.14 . 1 . . . . 117 . . . 5592 1 177 . 1 1 32 32 ASN CB C 13 36.62 0.14 . 1 . . . . 117 . . . 5592 1 178 . 1 1 33 33 VAL H H 1 7.353 0.02 . 1 . . . . 118 . . . 5592 1 179 . 1 1 33 33 VAL N N 15 122.098 0.06 . 1 . . . . 118 . . . 5592 1 180 . 1 1 33 33 VAL CA C 13 58.98 0.14 . 1 . . . . 118 . . . 5592 1 181 . 1 1 33 33 VAL HA H 1 3.96 0.02 . 1 . . . . 118 . . . 5592 1 182 . 1 1 33 33 VAL C C 13 173.75 0.14 . 1 . . . . 118 . . . 5592 1 183 . 1 1 33 33 VAL CB C 13 30.68 0.14 . 1 . . . . 118 . . . 5592 1 184 . 1 1 34 34 LYS H H 1 8.872 0.02 . 1 . . . . 119 . . . 5592 1 185 . 1 1 34 34 LYS N N 15 125.493 0.06 . 1 . . . . 119 . . . 5592 1 186 . 1 1 34 34 LYS CA C 13 54.64 0.14 . 1 . . . . 119 . . . 5592 1 187 . 1 1 34 34 LYS HA H 1 3.84 0.02 . 1 . . . . 119 . . . 5592 1 188 . 1 1 34 34 LYS C C 13 171.82 0.14 . 1 . . . . 119 . . . 5592 1 189 . 1 1 34 34 LYS CB C 13 27.66 0.14 . 1 . . . . 119 . . . 5592 1 190 . 1 1 35 35 CYS H H 1 7.816 0.02 . 1 . . . . 120 . . . 5592 1 191 . 1 1 35 35 CYS N N 15 118.448 0.06 . 1 . . . . 120 . . . 5592 1 192 . 1 1 35 35 CYS CA C 13 54.29 0.14 . 1 . . . . 120 . . . 5592 1 193 . 1 1 35 35 CYS HA H 1 4.73 0.02 . 1 . . . . 120 . . . 5592 1 194 . 1 1 35 35 CYS C C 13 168.39 0.14 . 1 . . . . 120 . . . 5592 1 195 . 1 1 35 35 CYS CB C 13 26.75 0.14 . 1 . . . . 120 . . . 5592 1 196 . 1 1 36 36 VAL H H 1 9.123 0.02 . 1 . . . . 121 . . . 5592 1 197 . 1 1 36 36 VAL N N 15 125.241 0.06 . 1 . . . . 121 . . . 5592 1 198 . 1 1 36 36 VAL CA C 13 58.56 0.14 . 1 . . . . 121 . . . 5592 1 199 . 1 1 36 36 VAL HA H 1 4.86 0.02 . 1 . . . . 121 . . . 5592 1 200 . 1 1 36 36 VAL C C 13 171.85 0.14 . 1 . . . . 121 . . . 5592 1 201 . 1 1 36 36 VAL CB C 13 30.41 0.14 . 1 . . . . 121 . . . 5592 1 202 . 1 1 37 37 LYS H H 1 9.382 0.02 . 1 . . . . 122 . . . 5592 1 203 . 1 1 37 37 LYS N N 15 128.736 0.06 . 1 . . . . 122 . . . 5592 1 204 . 1 1 37 37 LYS CA C 13 52.38 0.14 . 1 . . . . 122 . . . 5592 1 205 . 1 1 37 37 LYS HA H 1 5.18 0.02 . 1 . . . . 122 . . . 5592 1 206 . 1 1 37 37 LYS C C 13 173.41 0.14 . 1 . . . . 122 . . . 5592 1 207 . 1 1 37 37 LYS CB C 13 30.89 0.14 . 1 . . . . 122 . . . 5592 1 208 . 1 1 38 38 PHE H H 1 9.15 0.02 . 1 . . . . 123 . . . 5592 1 209 . 1 1 38 38 PHE N N 15 130.795 0.06 . 1 . . . . 123 . . . 5592 1 210 . 1 1 38 38 PHE CA C 13 53.44 0.14 . 1 . . . . 123 . . . 5592 1 211 . 1 1 38 38 PHE HA H 1 4.98 0.02 . 1 . . . . 123 . . . 5592 1 212 . 1 1 38 38 PHE C C 13 172.03 0.14 . 1 . . . . 123 . . . 5592 1 213 . 1 1 38 38 PHE CB C 13 40.04 0.14 . 1 . . . . 123 . . . 5592 1 214 . 1 1 39 39 ASN H H 1 9.24 0.02 . 1 . . . . 124 . . . 5592 1 215 . 1 1 39 39 ASN N N 15 128.09 0.06 . 1 . . . . 124 . . . 5592 1 216 . 1 1 39 39 ASN CA C 13 52.15 0.14 . 1 . . . . 124 . . . 5592 1 217 . 1 1 39 39 ASN HA H 1 4.08 0.02 . 1 . . . . 124 . . . 5592 1 218 . 1 1 39 39 ASN C C 13 171.79 0.14 . 1 . . . . 124 . . . 5592 1 219 . 1 1 39 39 ASN CB C 13 33.88 0.14 . 1 . . . . 124 . . . 5592 1 220 . 1 1 40 40 ASP H H 1 8.763 0.02 . 1 . . . . 125 . . . 5592 1 221 . 1 1 40 40 ASP N N 15 113.183 0.06 . 1 . . . . 125 . . . 5592 1 222 . 1 1 40 40 ASP CA C 13 53.42 0.14 . 1 . . . . 125 . . . 5592 1 223 . 1 1 40 40 ASP HA H 1 4.13 0.02 . 1 . . . . 125 . . . 5592 1 224 . 1 1 40 40 ASP C C 13 172.1 0.14 . 1 . . . . 125 . . . 5592 1 225 . 1 1 40 40 ASP CB C 13 37.71 0.14 . 1 . . . . 125 . . . 5592 1 226 . 1 1 41 41 GLN H H 1 7.885 0.02 . 1 . . . . 126 . . . 5592 1 227 . 1 1 41 41 GLN N N 15 118.115 0.06 . 1 . . . . 126 . . . 5592 1 228 . 1 1 41 41 GLN CA C 13 51.91 0.14 . 1 . . . . 126 . . . 5592 1 229 . 1 1 41 41 GLN HA H 1 4.61 0.02 . 1 . . . . 126 . . . 5592 1 230 . 1 1 41 41 GLN C C 13 171.33 0.14 . 1 . . . . 126 . . . 5592 1 231 . 1 1 41 41 GLN CB C 13 30.16 0.14 . 1 . . . . 126 . . . 5592 1 232 . 1 1 42 42 LEU H H 1 8.508 0.02 . 1 . . . . 127 . . . 5592 1 233 . 1 1 42 42 LEU N N 15 124.293 0.06 . 1 . . . . 127 . . . 5592 1 234 . 1 1 42 42 LEU CA C 13 51.64 0.14 . 1 . . . . 127 . . . 5592 1 235 . 1 1 42 42 LEU HA H 1 5.18 0.02 . 1 . . . . 127 . . . 5592 1 236 . 1 1 42 42 LEU C C 13 173.79 0.14 . 1 . . . . 127 . . . 5592 1 237 . 1 1 42 42 LEU CB C 13 40.02 0.14 . 1 . . . . 127 . . . 5592 1 238 . 1 1 43 43 ILE H H 1 9.854 0.02 . 1 . . . . 128 . . . 5592 1 239 . 1 1 43 43 ILE N N 15 120.292 0.06 . 1 . . . . 128 . . . 5592 1 240 . 1 1 43 43 ILE CA C 13 56.59 0.14 . 1 . . . . 128 . . . 5592 1 241 . 1 1 43 43 ILE HA H 1 5.01 0.02 . 1 . . . . 128 . . . 5592 1 242 . 1 1 43 43 ILE C C 13 172.25 0.14 . 1 . . . . 128 . . . 5592 1 243 . 1 1 43 43 ILE CB C 13 41.19 0.14 . 1 . . . . 128 . . . 5592 1 244 . 1 1 44 44 SER H H 1 8.902 0.02 . 1 . . . . 129 . . . 5592 1 245 . 1 1 44 44 SER N N 15 117.363 0.06 . 1 . . . . 129 . . . 5592 1 246 . 1 1 44 44 SER CA C 13 53.06 0.14 . 1 . . . . 129 . . . 5592 1 247 . 1 1 44 44 SER HA H 1 5.67 0.02 . 1 . . . . 129 . . . 5592 1 248 . 1 1 44 44 SER CB C 13 61.31 0.14 . 1 . . . . 129 . . . 5592 1 249 . 1 1 45 45 PRO CA C 13 63.8 0.14 . 1 . . . . 130 . . . 5592 1 250 . 1 1 45 45 PRO HA H 1 4.3 0.02 . 1 . . . . 130 . . . 5592 1 251 . 1 1 45 45 PRO C C 13 175.08 0.14 . 1 . . . . 130 . . . 5592 1 252 . 1 1 45 45 PRO CB C 13 30.46 0.14 . 1 . . . . 130 . . . 5592 1 253 . 1 1 46 46 LYS H H 1 7.685 0.02 . 1 . . . . 131 . . . 5592 1 254 . 1 1 46 46 LYS N N 15 114.837 0.06 . 1 . . . . 131 . . . 5592 1 255 . 1 1 46 46 LYS CA C 13 57.84 0.14 . 1 . . . . 131 . . . 5592 1 256 . 1 1 46 46 LYS HA H 1 3.76 0.02 . 1 . . . . 131 . . . 5592 1 257 . 1 1 46 46 LYS C C 13 174.09 0.14 . 1 . . . . 131 . . . 5592 1 258 . 1 1 46 46 LYS CB C 13 30.43 0.14 . 1 . . . . 131 . . . 5592 1 259 . 1 1 47 47 HIS H H 1 8.352 0.02 . 1 . . . . 132 . . . 5592 1 260 . 1 1 47 47 HIS N N 15 120.822 0.06 . 1 . . . . 132 . . . 5592 1 261 . 1 1 47 47 HIS CA C 13 55.88 0.14 . 1 . . . . 132 . . . 5592 1 262 . 1 1 47 47 HIS HA H 1 4.61 0.02 . 1 . . . . 132 . . . 5592 1 263 . 1 1 47 47 HIS C C 13 175.06 0.14 . 1 . . . . 132 . . . 5592 1 264 . 1 1 47 47 HIS CB C 13 28.6 0.14 . 1 . . . . 132 . . . 5592 1 265 . 1 1 48 48 PHE H H 1 8.889 0.02 . 1 . . . . 133 . . . 5592 1 266 . 1 1 48 48 PHE N N 15 119.98 0.06 . 1 . . . . 133 . . . 5592 1 267 . 1 1 48 48 PHE CA C 13 57.21 0.14 . 1 . . . . 133 . . . 5592 1 268 . 1 1 48 48 PHE HA H 1 4.08 0.02 . 1 . . . . 133 . . . 5592 1 269 . 1 1 48 48 PHE C C 13 173.25 0.14 . 1 . . . . 133 . . . 5592 1 270 . 1 1 48 48 PHE CB C 13 36.33 0.14 . 1 . . . . 133 . . . 5592 1 271 . 1 1 49 49 VAL H H 1 8.296 0.02 . 1 . . . . 134 . . . 5592 1 272 . 1 1 49 49 VAL N N 15 117.431 0.06 . 1 . . . . 134 . . . 5592 1 273 . 1 1 49 49 VAL CA C 13 63.0 0.14 . 1 . . . . 134 . . . 5592 1 274 . 1 1 49 49 VAL HA H 1 3.47 0.02 . 1 . . . . 134 . . . 5592 1 275 . 1 1 49 49 VAL C C 13 177.41 0.14 . 1 . . . . 134 . . . 5592 1 276 . 1 1 49 49 VAL CB C 13 29.29 0.14 . 1 . . . . 134 . . . 5592 1 277 . 1 1 50 50 HIS H H 1 7.74 0.02 . 1 . . . . 135 . . . 5592 1 278 . 1 1 50 50 HIS N N 15 118.949 0.06 . 1 . . . . 135 . . . 5592 1 279 . 1 1 50 50 HIS CA C 13 56.7 0.14 . 1 . . . . 135 . . . 5592 1 280 . 1 1 50 50 HIS HA H 1 4.37 0.02 . 1 . . . . 135 . . . 5592 1 281 . 1 1 50 50 HIS C C 13 174.66 0.14 . 1 . . . . 135 . . . 5592 1 282 . 1 1 50 50 HIS CB C 13 26.93 0.14 . 1 . . . . 135 . . . 5592 1 283 . 1 1 51 51 LEU H H 1 8.515 0.02 . 1 . . . . 136 . . . 5592 1 284 . 1 1 51 51 LEU N N 15 121.089 0.06 . 1 . . . . 136 . . . 5592 1 285 . 1 1 51 51 LEU CA C 13 55.09 0.14 . 1 . . . . 136 . . . 5592 1 286 . 1 1 51 51 LEU HA H 1 3.88 0.02 . 1 . . . . 136 . . . 5592 1 287 . 1 1 51 51 LEU C C 13 176.64 0.14 . 1 . . . . 136 . . . 5592 1 288 . 1 1 51 51 LEU CB C 13 39.82 0.14 . 1 . . . . 136 . . . 5592 1 289 . 1 1 52 52 ALA H H 1 8.105 0.02 . 1 . . . . 137 . . . 5592 1 290 . 1 1 52 52 ALA N N 15 120.242 0.06 . 1 . . . . 137 . . . 5592 1 291 . 1 1 52 52 ALA CA C 13 50.3 0.14 . 1 . . . . 137 . . . 5592 1 292 . 1 1 52 52 ALA HA H 1 4.12 0.02 . 1 . . . . 137 . . . 5592 1 293 . 1 1 52 52 ALA C C 13 175.83 0.14 . 1 . . . . 137 . . . 5592 1 294 . 1 1 52 52 ALA CB C 13 17.14 0.14 . 1 . . . . 137 . . . 5592 1 295 . 1 1 53 53 GLY H H 1 7.847 0.02 . 1 . . . . 138 . . . 5592 1 296 . 1 1 53 53 GLY N N 15 105.906 0.06 . 1 . . . . 138 . . . 5592 1 297 . 1 1 53 53 GLY CA C 13 43.6 0.14 . 1 . . . . 138 . . . 5592 1 298 . 1 1 53 53 GLY HA2 H 1 3.96 0.02 . 1 . . . . 138 . . . 5592 1 299 . 1 1 53 53 GLY C C 13 172.96 0.14 . 1 . . . . 138 . . . 5592 1 300 . 1 1 54 54 LYS H H 1 7.987 0.02 . 1 . . . . 139 . . . 5592 1 301 . 1 1 54 54 LYS N N 15 118.662 0.06 . 1 . . . . 139 . . . 5592 1 302 . 1 1 54 54 LYS CA C 13 52.7 0.14 . 1 . . . . 139 . . . 5592 1 303 . 1 1 54 54 LYS HA H 1 4.57 0.02 . 1 . . . . 139 . . . 5592 1 304 . 1 1 54 54 LYS C C 13 176.1 0.14 . 1 . . . . 139 . . . 5592 1 305 . 1 1 54 54 LYS CB C 13 30.0 0.14 . 1 . . . . 139 . . . 5592 1 306 . 1 1 55 55 SER H H 1 8.407 0.02 . 1 . . . . 140 . . . 5592 1 307 . 1 1 55 55 SER N N 15 115.768 0.06 . 1 . . . . 140 . . . 5592 1 308 . 1 1 55 55 SER CA C 13 57.6 0.14 . 1 . . . . 140 . . . 5592 1 309 . 1 1 55 55 SER HA H 1 4.32 0.02 . 1 . . . . 140 . . . 5592 1 310 . 1 1 55 55 SER C C 13 173.84 0.14 . 1 . . . . 140 . . . 5592 1 311 . 1 1 55 55 SER CB C 13 60.93 0.14 . 1 . . . . 140 . . . 5592 1 312 . 1 1 56 56 THR H H 1 8.024 0.02 . 1 . . . . 141 . . . 5592 1 313 . 1 1 56 56 THR N N 15 112.854 0.06 . 1 . . . . 141 . . . 5592 1 314 . 1 1 56 56 THR CA C 13 60.48 0.14 . 1 . . . . 141 . . . 5592 1 315 . 1 1 56 56 THR HA H 1 4.14 0.02 . 1 . . . . 141 . . . 5592 1 316 . 1 1 56 56 THR C C 13 172.75 0.14 . 1 . . . . 141 . . . 5592 1 317 . 1 1 56 56 THR CB C 13 66.45 0.14 . 1 . . . . 141 . . . 5592 1 318 . 1 1 57 57 LEU H H 1 7.724 0.02 . 1 . . . . 142 . . . 5592 1 319 . 1 1 57 57 LEU N N 15 122.795 0.06 . 1 . . . . 142 . . . 5592 1 320 . 1 1 57 57 LEU CA C 13 53.26 0.14 . 1 . . . . 142 . . . 5592 1 321 . 1 1 57 57 LEU HA H 1 4.29 0.02 . 1 . . . . 142 . . . 5592 1 322 . 1 1 57 57 LEU C C 13 174.72 0.14 . 1 . . . . 142 . . . 5592 1 323 . 1 1 57 57 LEU CB C 13 39.3 0.14 . 1 . . . . 142 . . . 5592 1 324 . 1 1 58 58 LYS H H 1 8.11 0.02 . 1 . . . . 143 . . . 5592 1 325 . 1 1 58 58 LYS N N 15 119.637 0.06 . 1 . . . . 143 . . . 5592 1 326 . 1 1 58 58 LYS CA C 13 54.73 0.14 . 1 . . . . 143 . . . 5592 1 327 . 1 1 58 58 LYS HA H 1 4.15 0.02 . 1 . . . . 143 . . . 5592 1 328 . 1 1 58 58 LYS C C 13 173.86 0.14 . 1 . . . . 143 . . . 5592 1 329 . 1 1 58 58 LYS CB C 13 30.14 0.14 . 1 . . . . 143 . . . 5592 1 330 . 1 1 59 59 ASP H H 1 8.136 0.02 . 1 . . . . 144 . . . 5592 1 331 . 1 1 59 59 ASP N N 15 118.555 0.06 . 1 . . . . 144 . . . 5592 1 332 . 1 1 59 59 ASP CA C 13 51.28 0.14 . 1 . . . . 144 . . . 5592 1 333 . 1 1 59 59 ASP HA H 1 4.82 0.02 . 1 . . . . 144 . . . 5592 1 334 . 1 1 59 59 ASP C C 13 175.04 0.14 . 1 . . . . 144 . . . 5592 1 335 . 1 1 59 59 ASP CB C 13 39.14 0.14 . 1 . . . . 144 . . . 5592 1 336 . 1 1 60 60 TRP H H 1 8.792 0.02 . 1 . . . . 145 . . . 5592 1 337 . 1 1 60 60 TRP N N 15 128.521 0.06 . 1 . . . . 145 . . . 5592 1 338 . 1 1 60 60 TRP CA C 13 57.57 0.14 . 1 . . . . 145 . . . 5592 1 339 . 1 1 60 60 TRP HA H 1 4.53 0.02 . 1 . . . . 145 . . . 5592 1 340 . 1 1 60 60 TRP C C 13 173.63 0.14 . 1 . . . . 145 . . . 5592 1 341 . 1 1 60 60 TRP CB C 13 24.5 0.14 . 1 . . . . 145 . . . 5592 1 342 . 1 1 60 60 TRP NE1 N 15 131.933 0.06 . 1 . . . . 145 . . . 5592 1 343 . 1 1 60 60 TRP HE1 H 1 10.858 0.02 . 1 . . . . 145 . . . 5592 1 344 . 1 1 61 61 LYS H H 1 7.317 0.02 . 1 . . . . 146 . . . 5592 1 345 . 1 1 61 61 LYS N N 15 117.249 0.06 . 1 . . . . 146 . . . 5592 1 346 . 1 1 61 61 LYS CA C 13 56.22 0.14 . 1 . . . . 146 . . . 5592 1 347 . 1 1 61 61 LYS HA H 1 3.47 0.02 . 1 . . . . 146 . . . 5592 1 348 . 1 1 61 61 LYS C C 13 175.19 0.14 . 1 . . . . 146 . . . 5592 1 349 . 1 1 61 61 LYS CB C 13 29.26 0.14 . 1 . . . . 146 . . . 5592 1 350 . 1 1 62 62 ARG H H 1 7.492 0.02 . 1 . . . . 147 . . . 5592 1 351 . 1 1 62 62 ARG N N 15 116.345 0.06 . 1 . . . . 147 . . . 5592 1 352 . 1 1 62 62 ARG CA C 13 54.67 0.14 . 1 . . . . 147 . . . 5592 1 353 . 1 1 62 62 ARG HA H 1 4.37 0.02 . 1 . . . . 147 . . . 5592 1 354 . 1 1 62 62 ARG C C 13 175.6 0.14 . 1 . . . . 147 . . . 5592 1 355 . 1 1 62 62 ARG CB C 13 29.14 0.14 . 1 . . . . 147 . . . 5592 1 356 . 1 1 63 63 ALA H H 1 7.738 0.02 . 1 . . . . 148 . . . 5592 1 357 . 1 1 63 63 ALA N N 15 119.859 0.06 . 1 . . . . 148 . . . 5592 1 358 . 1 1 63 63 ALA CA C 13 51.1 0.14 . 1 . . . . 148 . . . 5592 1 359 . 1 1 63 63 ALA HA H 1 4.08 0.02 . 1 . . . . 148 . . . 5592 1 360 . 1 1 63 63 ALA C C 13 174.74 0.14 . 1 . . . . 148 . . . 5592 1 361 . 1 1 63 63 ALA CB C 13 18.44 0.14 . 1 . . . . 148 . . . 5592 1 362 . 1 1 64 64 ILE H H 1 7.182 0.02 . 1 . . . . 149 . . . 5592 1 363 . 1 1 64 64 ILE N N 15 117.375 0.06 . 1 . . . . 149 . . . 5592 1 364 . 1 1 64 64 ILE CA C 13 58.42 0.14 . 1 . . . . 149 . . . 5592 1 365 . 1 1 64 64 ILE HA H 1 4.47 0.02 . 1 . . . . 149 . . . 5592 1 366 . 1 1 64 64 ILE C C 13 171.89 0.14 . 1 . . . . 149 . . . 5592 1 367 . 1 1 64 64 ILE CB C 13 36.76 0.14 . 1 . . . . 149 . . . 5592 1 368 . 1 1 65 65 ARG H H 1 9.0 0.02 . 1 . . . . 150 . . . 5592 1 369 . 1 1 65 65 ARG N N 15 124.577 0.06 . 1 . . . . 150 . . . 5592 1 370 . 1 1 65 65 ARG CA C 13 51.6 0.14 . 1 . . . . 150 . . . 5592 1 371 . 1 1 65 65 ARG HA H 1 4.89 0.02 . 1 . . . . 150 . . . 5592 1 372 . 1 1 65 65 ARG C C 13 171.71 0.14 . 1 . . . . 150 . . . 5592 1 373 . 1 1 65 65 ARG CB C 13 31.25 0.14 . 1 . . . . 150 . . . 5592 1 374 . 1 1 66 66 LEU H H 1 9.13 0.02 . 1 . . . . 151 . . . 5592 1 375 . 1 1 66 66 LEU N N 15 124.44 0.06 . 1 . . . . 151 . . . 5592 1 376 . 1 1 66 66 LEU CA C 13 52.66 0.14 . 1 . . . . 151 . . . 5592 1 377 . 1 1 66 66 LEU HA H 1 4.81 0.02 . 1 . . . . 151 . . . 5592 1 378 . 1 1 66 66 LEU CB C 13 42.54 0.14 . 1 . . . . 151 . . . 5592 1 379 . 1 1 67 67 GLY HA2 H 1 3.73 0.02 . 1 . . . . 152 . . . 5592 1 380 . 1 1 68 68 GLY CA C 13 42.4 0.14 . 1 . . . . 153 . . . 5592 1 381 . 1 1 68 68 GLY HA2 H 1 3.44 0.02 . 1 . . . . 153 . . . 5592 1 382 . 1 1 68 68 GLY C C 13 171.1 0.14 . 1 . . . . 153 . . . 5592 1 383 . 1 1 69 69 ILE H H 1 7.716 0.02 . 1 . . . . 154 . . . 5592 1 384 . 1 1 69 69 ILE N N 15 123.889 0.06 . 1 . . . . 154 . . . 5592 1 385 . 1 1 69 69 ILE CA C 13 56.35 0.14 . 1 . . . . 154 . . . 5592 1 386 . 1 1 69 69 ILE HA H 1 4.37 0.02 . 1 . . . . 154 . . . 5592 1 387 . 1 1 69 69 ILE C C 13 173.45 0.14 . 1 . . . . 154 . . . 5592 1 388 . 1 1 69 69 ILE CB C 13 36.19 0.14 . 1 . . . . 154 . . . 5592 1 389 . 1 1 70 70 MET H H 1 9.009 0.02 . 1 . . . . 155 . . . 5592 1 390 . 1 1 70 70 MET N N 15 125.429 0.06 . 1 . . . . 155 . . . 5592 1 391 . 1 1 70 70 MET CA C 13 55.64 0.14 . 1 . . . . 155 . . . 5592 1 392 . 1 1 70 70 MET HA H 1 4.2 0.02 . 1 . . . . 155 . . . 5592 1 393 . 1 1 70 70 MET C C 13 174.45 0.14 . 1 . . . . 155 . . . 5592 1 394 . 1 1 70 70 MET CB C 13 31.61 0.14 . 1 . . . . 155 . . . 5592 1 395 . 1 1 71 71 LEU H H 1 9.294 0.02 . 1 . . . . 156 . . . 5592 1 396 . 1 1 71 71 LEU N N 15 127.856 0.06 . 1 . . . . 156 . . . 5592 1 397 . 1 1 71 71 LEU CA C 13 56.05 0.14 . 1 . . . . 156 . . . 5592 1 398 . 1 1 71 71 LEU HA H 1 4.61 0.02 . 1 . . . . 156 . . . 5592 1 399 . 1 1 71 71 LEU C C 13 174.29 0.14 . 1 . . . . 156 . . . 5592 1 400 . 1 1 71 71 LEU CB C 13 38.69 0.14 . 1 . . . . 156 . . . 5592 1 401 . 1 1 72 72 ARG H H 1 8.592 0.02 . 1 . . . . 157 . . . 5592 1 402 . 1 1 72 72 ARG N N 15 116.103 0.06 . 1 . . . . 157 . . . 5592 1 403 . 1 1 72 72 ARG CA C 13 56.56 0.14 . 1 . . . . 157 . . . 5592 1 404 . 1 1 72 72 ARG HA H 1 4.24 0.02 . 1 . . . . 157 . . . 5592 1 405 . 1 1 72 72 ARG C C 13 174.15 0.14 . 1 . . . . 157 . . . 5592 1 406 . 1 1 72 72 ARG CB C 13 28.62 0.14 . 1 . . . . 157 . . . 5592 1 407 . 1 1 73 73 LYS H H 1 6.891 0.02 . 1 . . . . 158 . . . 5592 1 408 . 1 1 73 73 LYS N N 15 116.728 0.06 . 1 . . . . 158 . . . 5592 1 409 . 1 1 73 73 LYS CA C 13 56.09 0.14 . 1 . . . . 158 . . . 5592 1 410 . 1 1 73 73 LYS HA H 1 5.1 0.02 . 1 . . . . 158 . . . 5592 1 411 . 1 1 73 73 LYS C C 13 174.25 0.14 . 1 . . . . 158 . . . 5592 1 412 . 1 1 73 73 LYS CB C 13 29.63 0.14 . 1 . . . . 158 . . . 5592 1 413 . 1 1 74 74 MET H H 1 7.677 0.02 . 1 . . . . 159 . . . 5592 1 414 . 1 1 74 74 MET N N 15 119.068 0.06 . 1 . . . . 159 . . . 5592 1 415 . 1 1 74 74 MET CA C 13 55.81 0.14 . 1 . . . . 159 . . . 5592 1 416 . 1 1 74 74 MET HA H 1 4.12 0.02 . 1 . . . . 159 . . . 5592 1 417 . 1 1 74 74 MET C C 13 176.27 0.14 . 1 . . . . 159 . . . 5592 1 418 . 1 1 74 74 MET CB C 13 29.65 0.14 . 1 . . . . 159 . . . 5592 1 419 . 1 1 75 75 MET H H 1 8.182 0.02 . 1 . . . . 160 . . . 5592 1 420 . 1 1 75 75 MET N N 15 121.605 0.06 . 1 . . . . 160 . . . 5592 1 421 . 1 1 75 75 MET CA C 13 60.23 0.14 . 1 . . . . 160 . . . 5592 1 422 . 1 1 75 75 MET HA H 1 4.17 0.02 . 1 . . . . 160 . . . 5592 1 423 . 1 1 75 75 MET CB C 13 30.37 0.14 . 1 . . . . 160 . . . 5592 1 424 . 1 1 76 76 ASP H H 1 8.548 0.02 . 1 . . . . 161 . . . 5592 1 425 . 1 1 76 76 ASP N N 15 123.557 0.06 . 1 . . . . 161 . . . 5592 1 426 . 1 1 76 76 ASP CA C 13 56.18 0.14 . 1 . . . . 161 . . . 5592 1 427 . 1 1 76 76 ASP HA H 1 4.44 0.02 . 1 . . . . 161 . . . 5592 1 428 . 1 1 76 76 ASP C C 13 175.67 0.14 . 1 . . . . 161 . . . 5592 1 429 . 1 1 76 76 ASP CB C 13 25.7 0.14 . 1 . . . . 161 . . . 5592 1 430 . 1 1 77 77 SER H H 1 8.522 0.02 . 1 . . . . 162 . . . 5592 1 431 . 1 1 77 77 SER N N 15 118.736 0.06 . 1 . . . . 162 . . . 5592 1 432 . 1 1 77 77 SER CA C 13 56.31 0.14 . 1 . . . . 162 . . . 5592 1 433 . 1 1 77 77 SER HA H 1 4.76 0.02 . 1 . . . . 162 . . . 5592 1 434 . 1 1 77 77 SER C C 13 173.02 0.14 . 1 . . . . 162 . . . 5592 1 435 . 1 1 77 77 SER CB C 13 61.43 0.14 . 1 . . . . 162 . . . 5592 1 436 . 1 1 78 78 GLY H H 1 7.78 0.02 . 1 . . . . 163 . . . 5592 1 437 . 1 1 78 78 GLY N N 15 109.896 0.06 . 1 . . . . 163 . . . 5592 1 438 . 1 1 78 78 GLY CA C 13 43.53 0.14 . 1 . . . . 163 . . . 5592 1 439 . 1 1 78 78 GLY HA2 H 1 3.93 0.02 . 1 . . . . 163 . . . 5592 1 440 . 1 1 78 78 GLY HA3 H 1 4.17 0.02 . 1 . . . . 163 . . . 5592 1 441 . 1 1 78 78 GLY C C 13 172.21 0.14 . 1 . . . . 163 . . . 5592 1 442 . 1 1 79 79 GLN H H 1 8.236 0.02 . 1 . . . . 164 . . . 5592 1 443 . 1 1 79 79 GLN N N 15 118.83 0.06 . 1 . . . . 164 . . . 5592 1 444 . 1 1 79 79 GLN CA C 13 55.5 0.14 . 1 . . . . 164 . . . 5592 1 445 . 1 1 79 79 GLN HA H 1 4.07 0.02 . 1 . . . . 164 . . . 5592 1 446 . 1 1 79 79 GLN C C 13 173.36 0.14 . 1 . . . . 164 . . . 5592 1 447 . 1 1 79 79 GLN CB C 13 27.42 0.14 . 1 . . . . 164 . . . 5592 1 448 . 1 1 80 80 ILE H H 1 7.316 0.02 . 1 . . . . 165 . . . 5592 1 449 . 1 1 80 80 ILE N N 15 115.351 0.06 . 1 . . . . 165 . . . 5592 1 450 . 1 1 80 80 ILE CA C 13 57.03 0.14 . 1 . . . . 165 . . . 5592 1 451 . 1 1 80 80 ILE HA H 1 4.23 0.02 . 1 . . . . 165 . . . 5592 1 452 . 1 1 80 80 ILE C C 13 169.2 0.14 . 1 . . . . 165 . . . 5592 1 453 . 1 1 80 80 ILE CB C 13 38.59 0.14 . 1 . . . . 165 . . . 5592 1 454 . 1 1 81 81 ASP H H 1 8.273 0.02 . 1 . . . . 166 . . . 5592 1 455 . 1 1 81 81 ASP N N 15 123.772 0.06 . 1 . . . . 166 . . . 5592 1 456 . 1 1 81 81 ASP CA C 13 48.8 0.14 . 1 . . . . 166 . . . 5592 1 457 . 1 1 81 81 ASP HA H 1 4.85 0.02 . 1 . . . . 166 . . . 5592 1 458 . 1 1 81 81 ASP C C 13 172.71 0.14 . 1 . . . . 166 . . . 5592 1 459 . 1 1 81 81 ASP CB C 13 41.72 0.14 . 1 . . . . 166 . . . 5592 1 460 . 1 1 82 82 PHE H H 1 8.44 0.02 . 1 . . . . 167 . . . 5592 1 461 . 1 1 82 82 PHE N N 15 118.698 0.06 . 1 . . . . 167 . . . 5592 1 462 . 1 1 82 82 PHE CA C 13 55.52 0.14 . 1 . . . . 167 . . . 5592 1 463 . 1 1 82 82 PHE HA H 1 4.53 0.02 . 1 . . . . 167 . . . 5592 1 464 . 1 1 82 82 PHE C C 13 174.31 0.14 . 1 . . . . 167 . . . 5592 1 465 . 1 1 82 82 PHE CB C 13 37.64 0.14 . 1 . . . . 167 . . . 5592 1 466 . 1 1 83 83 TYR H H 1 8.711 0.02 . 1 . . . . 168 . . . 5592 1 467 . 1 1 83 83 TYR N N 15 126.076 0.06 . 1 . . . . 168 . . . 5592 1 468 . 1 1 83 83 TYR CA C 13 56.8 0.14 . 1 . . . . 168 . . . 5592 1 469 . 1 1 83 83 TYR HA H 1 3.71 0.02 . 1 . . . . 168 . . . 5592 1 470 . 1 1 83 83 TYR C C 13 173.43 0.14 . 1 . . . . 168 . . . 5592 1 471 . 1 1 83 83 TYR CB C 13 35.56 0.14 . 1 . . . . 168 . . . 5592 1 472 . 1 1 84 84 GLN H H 1 8.512 0.02 . 1 . . . . 169 . . . 5592 1 473 . 1 1 84 84 GLN N N 15 121.82 0.06 . 1 . . . . 169 . . . 5592 1 474 . 1 1 84 84 GLN CA C 13 54.12 0.14 . 1 . . . . 169 . . . 5592 1 475 . 1 1 84 84 GLN HA H 1 3.75 0.02 . 1 . . . . 169 . . . 5592 1 476 . 1 1 84 84 GLN C C 13 174.72 0.14 . 1 . . . . 169 . . . 5592 1 477 . 1 1 84 84 GLN CB C 13 23.66 0.14 . 1 . . . . 169 . . . 5592 1 478 . 1 1 85 85 HIS H H 1 7.593 0.02 . 1 . . . . 170 . . . 5592 1 479 . 1 1 85 85 HIS N N 15 118.755 0.06 . 1 . . . . 170 . . . 5592 1 480 . 1 1 85 85 HIS CA C 13 53.06 0.14 . 1 . . . . 170 . . . 5592 1 481 . 1 1 85 85 HIS HA H 1 4.86 0.02 . 1 . . . . 170 . . . 5592 1 482 . 1 1 85 85 HIS C C 13 173.25 0.14 . 1 . . . . 170 . . . 5592 1 483 . 1 1 85 85 HIS CB C 13 27.44 0.14 . 1 . . . . 170 . . . 5592 1 484 . 1 1 86 86 ASP H H 1 8.892 0.02 . 1 . . . . 171 . . . 5592 1 485 . 1 1 86 86 ASP N N 15 112.008 0.06 . 1 . . . . 171 . . . 5592 1 486 . 1 1 86 86 ASP CA C 13 52.95 0.14 . 1 . . . . 171 . . . 5592 1 487 . 1 1 86 86 ASP HA H 1 4.16 0.02 . 1 . . . . 171 . . . 5592 1 488 . 1 1 86 86 ASP C C 13 173.88 0.14 . 1 . . . . 171 . . . 5592 1 489 . 1 1 86 86 ASP CB C 13 36.74 0.14 . 1 . . . . 171 . . . 5592 1 490 . 1 1 87 87 LYS H H 1 7.631 0.02 . 1 . . . . 172 . . . 5592 1 491 . 1 1 87 87 LYS N N 15 118.063 0.06 . 1 . . . . 172 . . . 5592 1 492 . 1 1 87 87 LYS CA C 13 54.17 0.14 . 1 . . . . 172 . . . 5592 1 493 . 1 1 87 87 LYS HA H 1 4.45 0.02 . 1 . . . . 172 . . . 5592 1 494 . 1 1 87 87 LYS C C 13 173.77 0.14 . 1 . . . . 172 . . . 5592 1 495 . 1 1 87 87 LYS CB C 13 32.87 0.14 . 1 . . . . 172 . . . 5592 1 496 . 1 1 88 88 VAL H H 1 8.447 0.02 . 1 . . . . 173 . . . 5592 1 497 . 1 1 88 88 VAL N N 15 122.483 0.06 . 1 . . . . 173 . . . 5592 1 498 . 1 1 88 88 VAL CA C 13 59.65 0.14 . 1 . . . . 173 . . . 5592 1 499 . 1 1 88 88 VAL HA H 1 4.16 0.02 . 1 . . . . 173 . . . 5592 1 500 . 1 1 88 88 VAL C C 13 170.67 0.14 . 1 . . . . 173 . . . 5592 1 501 . 1 1 88 88 VAL CB C 13 30.81 0.14 . 1 . . . . 173 . . . 5592 1 502 . 1 1 89 89 CYS H H 1 8.408 0.02 . 1 . . . . 174 . . . 5592 1 503 . 1 1 89 89 CYS N N 15 127.523 0.06 . 1 . . . . 174 . . . 5592 1 504 . 1 1 89 89 CYS CA C 13 56.39 0.14 . 1 . . . . 174 . . . 5592 1 505 . 1 1 89 89 CYS HA H 1 4.89 0.02 . 1 . . . . 174 . . . 5592 1 506 . 1 1 89 89 CYS C C 13 172.86 0.14 . 1 . . . . 174 . . . 5592 1 507 . 1 1 89 89 CYS CB C 13 29.12 0.14 . 1 . . . . 174 . . . 5592 1 508 . 1 1 90 90 SER H H 1 9.838 0.02 . 1 . . . . 175 . . . 5592 1 509 . 1 1 90 90 SER N N 15 129.372 0.06 . 1 . . . . 175 . . . 5592 1 510 . 1 1 90 90 SER CA C 13 57.34 0.14 . 1 . . . . 175 . . . 5592 1 511 . 1 1 90 90 SER HA H 1 4.41 0.02 . 1 . . . . 175 . . . 5592 1 512 . 1 1 90 90 SER C C 13 172.8 0.14 . 1 . . . . 175 . . . 5592 1 513 . 1 1 90 90 SER CB C 13 63.3 0.14 . 1 . . . . 175 . . . 5592 1 514 . 1 1 91 91 ASN H H 1 10.55 0.02 . 1 . . . . 176 . . . 5592 1 515 . 1 1 91 91 ASN N N 15 123.332 0.06 . 1 . . . . 176 . . . 5592 1 516 . 1 1 91 91 ASN CA C 13 52.43 0.14 . 1 . . . . 176 . . . 5592 1 517 . 1 1 91 91 ASN HA H 1 4.52 0.02 . 1 . . . . 176 . . . 5592 1 518 . 1 1 91 91 ASN C C 13 173.27 0.14 . 1 . . . . 176 . . . 5592 1 519 . 1 1 91 91 ASN CB C 13 35.61 0.14 . 1 . . . . 176 . . . 5592 1 520 . 1 1 92 92 THR H H 1 7.735 0.02 . 1 . . . . 177 . . . 5592 1 521 . 1 1 92 92 THR N N 15 107.035 0.06 . 1 . . . . 177 . . . 5592 1 522 . 1 1 92 92 THR CA C 13 59.44 0.14 . 1 . . . . 177 . . . 5592 1 523 . 1 1 92 92 THR HA H 1 4.73 0.02 . 1 . . . . 177 . . . 5592 1 524 . 1 1 92 92 THR C C 13 172.19 0.14 . 1 . . . . 177 . . . 5592 1 525 . 1 1 92 92 THR CB C 13 67.23 0.14 . 1 . . . . 177 . . . 5592 1 526 . 1 1 93 93 CYS H H 1 7.999 0.02 . 1 . . . . 178 . . . 5592 1 527 . 1 1 93 93 CYS N N 15 120.875 0.06 . 1 . . . . 178 . . . 5592 1 528 . 1 1 93 93 CYS CA C 13 54.98 0.14 . 1 . . . . 178 . . . 5592 1 529 . 1 1 93 93 CYS HA H 1 4.6 0.02 . 1 . . . . 178 . . . 5592 1 530 . 1 1 93 93 CYS C C 13 173.61 0.14 . 1 . . . . 178 . . . 5592 1 531 . 1 1 93 93 CYS CB C 13 29.06 0.14 . 1 . . . . 178 . . . 5592 1 532 . 1 1 94 94 ARG H H 1 8.041 0.02 . 1 . . . . 179 . . . 5592 1 533 . 1 1 94 94 ARG N N 15 121.656 0.06 . 1 . . . . 179 . . . 5592 1 534 . 1 1 94 94 ARG CA C 13 53.58 0.14 . 1 . . . . 179 . . . 5592 1 535 . 1 1 94 94 ARG HA H 1 4.61 0.02 . 1 . . . . 179 . . . 5592 1 536 . 1 1 94 94 ARG C C 13 173.37 0.14 . 1 . . . . 179 . . . 5592 1 537 . 1 1 94 94 ARG CB C 13 28.26 0.14 . 1 . . . . 179 . . . 5592 1 538 . 1 1 95 95 SER H H 1 8.204 0.02 . 1 . . . . 180 . . . 5592 1 539 . 1 1 95 95 SER N N 15 116.465 0.06 . 1 . . . . 180 . . . 5592 1 540 . 1 1 95 95 SER CA C 13 56.26 0.14 . 1 . . . . 180 . . . 5592 1 541 . 1 1 95 95 SER HA H 1 4.53 0.02 . 1 . . . . 180 . . . 5592 1 542 . 1 1 95 95 SER C C 13 173.15 0.14 . 1 . . . . 180 . . . 5592 1 543 . 1 1 95 95 SER CB C 13 61.52 0.14 . 1 . . . . 180 . . . 5592 1 544 . 1 1 96 96 THR H H 1 8.33 0.02 . 1 . . . . 181 . . . 5592 1 545 . 1 1 96 96 THR N N 15 116.464 0.06 . 1 . . . . 181 . . . 5592 1 546 . 1 1 96 96 THR CA C 13 59.4 0.14 . 1 . . . . 181 . . . 5592 1 547 . 1 1 96 96 THR HA H 1 4.41 0.02 . 1 . . . . 181 . . . 5592 1 548 . 1 1 96 96 THR C C 13 171.3 0.14 . 1 . . . . 181 . . . 5592 1 549 . 1 1 96 96 THR CB C 13 67.44 0.14 . 1 . . . . 181 . . . 5592 1 550 . 1 1 97 97 LYS H H 1 8.058 0.02 . 1 . . . . 182 . . . 5592 1 551 . 1 1 97 97 LYS N N 15 128.717 0.06 . 1 . . . . 182 . . . 5592 1 552 . 1 1 97 97 LYS CA C 13 55.48 0.14 . 1 . . . . 182 . . . 5592 1 553 . 1 1 97 97 LYS HA H 1 4.16 0.02 . 1 . . . . 182 . . . 5592 1 554 . 1 1 97 97 LYS CB C 13 31.27 0.14 . 1 . . . . 182 . . . 5592 1 stop_ save_