################################### # 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 19050 _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 . _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' . . . 19050 1 2 '2D 1H-13C HMQC' . . . 19050 1 3 '3D HNCA' . . . 19050 1 4 '3D HN(CO)CA' . . . 19050 1 5 '3D HNCACB' . . . 19050 1 6 '3D HN(CO)CACB' . . . 19050 1 7 '3D HNCO' . . . 19050 1 8 '3D HN(CA)CO' . . . 19050 1 9 '3D C(CO)NH' . . . 19050 1 10 '3D H(CCO)NH' . . . 19050 1 12 '3D 1H-13C NOESY' . . . 19050 1 13 '3D H(C)CH-TOCSY' . . . 19050 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 MET HE1 H 1 2.103 0.015 . 1 . . . A 76 MET HE1 . 19050 1 2 . 1 1 1 1 MET HE2 H 1 2.103 0.015 . 1 . . . A 76 MET HE2 . 19050 1 3 . 1 1 1 1 MET HE3 H 1 2.103 0.015 . 1 . . . A 76 MET HE3 . 19050 1 4 . 1 1 1 1 MET CE C 13 16.856 0.051 . 1 . . . A 76 MET CE . 19050 1 5 . 1 1 2 2 LYS HA H 1 4.355 0.012 . 1 . . . A 77 LYS HA . 19050 1 6 . 1 1 2 2 LYS HB2 H 1 1.824 0.015 . 1 . . . A 77 LYS HB2 . 19050 1 7 . 1 1 2 2 LYS HG3 H 1 1.444 0.013 . 1 . . . A 77 LYS HG3 . 19050 1 8 . 1 1 2 2 LYS HD3 H 1 1.706 0.013 . 1 . . . A 77 LYS HD3 . 19050 1 9 . 1 1 2 2 LYS HE3 H 1 3.001 0.009 . 1 . . . A 77 LYS HE3 . 19050 1 10 . 1 1 2 2 LYS C C 13 176.202 0.011 . 1 . . . A 77 LYS C . 19050 1 11 . 1 1 2 2 LYS CA C 13 56.379 0.155 . 1 . . . A 77 LYS CA . 19050 1 12 . 1 1 2 2 LYS CB C 13 32.944 0.126 . 1 . . . A 77 LYS CB . 19050 1 13 . 1 1 2 2 LYS CG C 13 24.490 0.141 . 1 . . . A 77 LYS CG . 19050 1 14 . 1 1 2 2 LYS CD C 13 28.942 0.081 . 1 . . . A 77 LYS CD . 19050 1 15 . 1 1 2 2 LYS CE C 13 41.874 0.093 . 1 . . . A 77 LYS CE . 19050 1 16 . 1 1 3 3 GLU H H 1 8.747 0.004 . 1 . . . A 78 GLU H . 19050 1 17 . 1 1 3 3 GLU HA H 1 4.234 0.011 . 1 . . . A 78 GLU HA . 19050 1 18 . 1 1 3 3 GLU HB2 H 1 1.964 0.015 . 1 . . . A 78 GLU HB2 . 19050 1 19 . 1 1 3 3 GLU HG3 H 1 2.294 0.015 . 1 . . . A 78 GLU HG3 . 19050 1 20 . 1 1 3 3 GLU C C 13 176.521 0.004 . 1 . . . A 78 GLU C . 19050 1 21 . 1 1 3 3 GLU CA C 13 57.084 0.134 . 1 . . . A 78 GLU CA . 19050 1 22 . 1 1 3 3 GLU CB C 13 29.974 0.101 . 1 . . . A 78 GLU CB . 19050 1 23 . 1 1 3 3 GLU CG C 13 36.341 0.065 . 1 . . . A 78 GLU CG . 19050 1 24 . 1 1 3 3 GLU N N 15 123.146 0.012 . 1 . . . A 78 GLU N . 19050 1 25 . 1 1 4 4 GLN H H 1 8.432 0.005 . 1 . . . A 79 GLN H . 19050 1 26 . 1 1 4 4 GLN HA H 1 4.336 0.010 . 1 . . . A 79 GLN HA . 19050 1 27 . 1 1 4 4 GLN HB2 H 1 2.110 0.014 . 2 . . . A 79 GLN HB2 . 19050 1 28 . 1 1 4 4 GLN HB3 H 1 2.034 0.019 . 2 . . . A 79 GLN HB3 . 19050 1 29 . 1 1 4 4 GLN HG3 H 1 2.368 0.012 . 1 . . . A 79 GLN HG3 . 19050 1 30 . 1 1 4 4 GLN HE21 H 1 6.833 0.007 . 1 . . . A 79 GLN HE21 . 19050 1 31 . 1 1 4 4 GLN HE22 H 1 7.610 0.004 . 1 . . . A 79 GLN HE22 . 19050 1 32 . 1 1 4 4 GLN C C 13 175.676 0.014 . 1 . . . A 79 GLN C . 19050 1 33 . 1 1 4 4 GLN CA C 13 56.033 0.145 . 1 . . . A 79 GLN CA . 19050 1 34 . 1 1 4 4 GLN CB C 13 29.556 0.097 . 1 . . . A 79 GLN CB . 19050 1 35 . 1 1 4 4 GLN CG C 13 33.759 0.062 . 1 . . . A 79 GLN CG . 19050 1 36 . 1 1 4 4 GLN N N 15 120.488 0.021 . 1 . . . A 79 GLN N . 19050 1 37 . 1 1 4 4 GLN NE2 N 15 112.232 0.231 . 1 . . . A 79 GLN NE2 . 19050 1 38 . 1 1 5 5 ASP H H 1 8.406 0.004 . 1 . . . A 80 ASP H . 19050 1 39 . 1 1 5 5 ASP HA H 1 4.654 0.009 . 1 . . . A 80 ASP HA . 19050 1 40 . 1 1 5 5 ASP HB2 H 1 2.662 0.013 . 2 . . . A 80 ASP HB2 . 19050 1 41 . 1 1 5 5 ASP HB3 H 1 2.713 0.017 . 2 . . . A 80 ASP HB3 . 19050 1 42 . 1 1 5 5 ASP C C 13 176.282 0.001 . 1 . . . A 80 ASP C . 19050 1 43 . 1 1 5 5 ASP CA C 13 54.536 0.128 . 1 . . . A 80 ASP CA . 19050 1 44 . 1 1 5 5 ASP CB C 13 41.280 0.086 . 1 . . . A 80 ASP CB . 19050 1 45 . 1 1 5 5 ASP N N 15 121.743 0.023 . 1 . . . A 80 ASP N . 19050 1 46 . 1 1 6 6 SER H H 1 8.381 0.007 . 1 . . . A 81 SER H . 19050 1 47 . 1 1 6 6 SER HA H 1 4.501 0.012 . 1 . . . A 81 SER HA . 19050 1 48 . 1 1 6 6 SER HB2 H 1 3.963 0.013 . 2 . . . A 81 SER HB2 . 19050 1 49 . 1 1 6 6 SER HB3 H 1 4.070 0.010 . 2 . . . A 81 SER HB3 . 19050 1 50 . 1 1 6 6 SER C C 13 175.181 0.030 . 1 . . . A 81 SER C . 19050 1 51 . 1 1 6 6 SER CA C 13 58.553 0.140 . 1 . . . A 81 SER CA . 19050 1 52 . 1 1 6 6 SER CB C 13 64.017 0.104 . 1 . . . A 81 SER CB . 19050 1 53 . 1 1 6 6 SER N N 15 116.240 0.035 . 1 . . . A 81 SER N . 19050 1 54 . 1 1 7 7 GLU H H 1 8.635 0.005 . 1 . . . A 82 GLU H . 19050 1 55 . 1 1 7 7 GLU HA H 1 4.224 0.015 . 1 . . . A 82 GLU HA . 19050 1 56 . 1 1 7 7 GLU HB2 H 1 2.084 0.017 . 1 . . . A 82 GLU HB2 . 19050 1 57 . 1 1 7 7 GLU HG3 H 1 2.346 0.018 . 1 . . . A 82 GLU HG3 . 19050 1 58 . 1 1 7 7 GLU C C 13 177.429 0.021 . 1 . . . A 82 GLU C . 19050 1 59 . 1 1 7 7 GLU CA C 13 58.624 0.066 . 1 . . . A 82 GLU CA . 19050 1 60 . 1 1 7 7 GLU CB C 13 29.652 0.084 . 1 . . . A 82 GLU CB . 19050 1 61 . 1 1 7 7 GLU CG C 13 36.444 0.067 . 1 . . . A 82 GLU CG . 19050 1 62 . 1 1 7 7 GLU N N 15 123.005 0.019 . 1 . . . A 82 GLU N . 19050 1 63 . 1 1 8 8 GLU H H 1 8.436 0.004 . 1 . . . A 83 GLU H . 19050 1 64 . 1 1 8 8 GLU HA H 1 4.065 0.011 . 1 . . . A 83 GLU HA . 19050 1 65 . 1 1 8 8 GLU HB2 H 1 2.097 0.020 . 1 . . . A 83 GLU HB2 . 19050 1 66 . 1 1 8 8 GLU HG3 H 1 2.361 0.014 . 1 . . . A 83 GLU HG3 . 19050 1 67 . 1 1 8 8 GLU C C 13 178.511 0.020 . 1 . . . A 83 GLU C . 19050 1 68 . 1 1 8 8 GLU CA C 13 59.436 0.111 . 1 . . . A 83 GLU CA . 19050 1 69 . 1 1 8 8 GLU CB C 13 29.487 0.065 . 1 . . . A 83 GLU CB . 19050 1 70 . 1 1 8 8 GLU CG C 13 36.496 0.086 . 1 . . . A 83 GLU CG . 19050 1 71 . 1 1 8 8 GLU N N 15 118.813 0.052 . 1 . . . A 83 GLU N . 19050 1 72 . 1 1 9 9 GLU H H 1 8.132 0.004 . 1 . . . A 84 GLU H . 19050 1 73 . 1 1 9 9 GLU HA H 1 4.228 0.008 . 1 . . . A 84 GLU HA . 19050 1 74 . 1 1 9 9 GLU HB2 H 1 2.207 0.019 . 2 . . . A 84 GLU HB2 . 19050 1 75 . 1 1 9 9 GLU HB3 H 1 2.327 0.027 . 2 . . . A 84 GLU HB3 . 19050 1 76 . 1 1 9 9 GLU HG2 H 1 2.433 0.015 . 2 . . . A 84 GLU HG2 . 19050 1 77 . 1 1 9 9 GLU HG3 H 1 2.324 0.029 . 2 . . . A 84 GLU HG3 . 19050 1 78 . 1 1 9 9 GLU C C 13 178.869 0.019 . 1 . . . A 84 GLU C . 19050 1 79 . 1 1 9 9 GLU CA C 13 59.003 0.164 . 1 . . . A 84 GLU CA . 19050 1 80 . 1 1 9 9 GLU CB C 13 29.997 0.170 . 1 . . . A 84 GLU CB . 19050 1 81 . 1 1 9 9 GLU CG C 13 36.846 0.075 . 1 . . . A 84 GLU CG . 19050 1 82 . 1 1 9 9 GLU N N 15 118.916 0.036 . 1 . . . A 84 GLU N . 19050 1 83 . 1 1 10 10 LEU H H 1 8.027 0.007 . 1 . . . A 85 LEU H . 19050 1 84 . 1 1 10 10 LEU HA H 1 4.325 0.025 . 1 . . . A 85 LEU HA . 19050 1 85 . 1 1 10 10 LEU HB2 H 1 1.661 0.027 . 2 . . . A 85 LEU HB2 . 19050 1 86 . 1 1 10 10 LEU HB3 H 1 2.335 0.017 . 2 . . . A 85 LEU HB3 . 19050 1 87 . 1 1 10 10 LEU HG H 1 1.829 0.023 . 1 . . . A 85 LEU HG . 19050 1 88 . 1 1 10 10 LEU HD11 H 1 0.888 0.010 . 2 . . . A 85 LEU HD11 . 19050 1 89 . 1 1 10 10 LEU HD12 H 1 0.888 0.010 . 2 . . . A 85 LEU HD12 . 19050 1 90 . 1 1 10 10 LEU HD13 H 1 0.888 0.010 . 2 . . . A 85 LEU HD13 . 19050 1 91 . 1 1 10 10 LEU HD21 H 1 0.816 0.021 . 2 . . . A 85 LEU HD21 . 19050 1 92 . 1 1 10 10 LEU HD22 H 1 0.816 0.021 . 2 . . . A 85 LEU HD22 . 19050 1 93 . 1 1 10 10 LEU HD23 H 1 0.816 0.021 . 2 . . . A 85 LEU HD23 . 19050 1 94 . 1 1 10 10 LEU C C 13 178.906 0.031 . 1 . . . A 85 LEU C . 19050 1 95 . 1 1 10 10 LEU CA C 13 57.921 0.113 . 1 . . . A 85 LEU CA . 19050 1 96 . 1 1 10 10 LEU CB C 13 41.983 0.094 . 1 . . . A 85 LEU CB . 19050 1 97 . 1 1 10 10 LEU CG C 13 27.254 0.110 . 1 . . . A 85 LEU CG . 19050 1 98 . 1 1 10 10 LEU CD1 C 13 26.303 0.146 . 2 . . . A 85 LEU CD1 . 19050 1 99 . 1 1 10 10 LEU CD2 C 13 23.394 0.087 . 2 . . . A 85 LEU CD2 . 19050 1 100 . 1 1 10 10 LEU N N 15 121.056 0.128 . 1 . . . A 85 LEU N . 19050 1 101 . 1 1 11 11 ILE H H 1 8.230 0.006 . 1 . . . A 86 ILE H . 19050 1 102 . 1 1 11 11 ILE HA H 1 3.825 0.009 . 1 . . . A 86 ILE HA . 19050 1 103 . 1 1 11 11 ILE HB H 1 1.882 0.016 . 1 . . . A 86 ILE HB . 19050 1 104 . 1 1 11 11 ILE HG12 H 1 0.859 0.018 . 2 . . . A 86 ILE HG12 . 19050 1 105 . 1 1 11 11 ILE HG13 H 1 1.814 0.015 . 2 . . . A 86 ILE HG13 . 19050 1 106 . 1 1 11 11 ILE HG21 H 1 0.879 0.012 . 1 . . . A 86 ILE HG21 . 19050 1 107 . 1 1 11 11 ILE HG22 H 1 0.879 0.012 . 1 . . . A 86 ILE HG22 . 19050 1 108 . 1 1 11 11 ILE HG23 H 1 0.879 0.012 . 1 . . . A 86 ILE HG23 . 19050 1 109 . 1 1 11 11 ILE HD11 H 1 0.642 0.019 . 1 . . . A 86 ILE HD11 . 19050 1 110 . 1 1 11 11 ILE HD12 H 1 0.642 0.019 . 1 . . . A 86 ILE HD12 . 19050 1 111 . 1 1 11 11 ILE HD13 H 1 0.642 0.019 . 1 . . . A 86 ILE HD13 . 19050 1 112 . 1 1 11 11 ILE C C 13 178.159 0.007 . 1 . . . A 86 ILE C . 19050 1 113 . 1 1 11 11 ILE CA C 13 64.848 0.099 . 1 . . . A 86 ILE CA . 19050 1 114 . 1 1 11 11 ILE CB C 13 38.148 0.104 . 1 . . . A 86 ILE CB . 19050 1 115 . 1 1 11 11 ILE CG1 C 13 28.936 0.099 . 1 . . . A 86 ILE CG1 . 19050 1 116 . 1 1 11 11 ILE CG2 C 13 17.297 0.119 . 1 . . . A 86 ILE CG2 . 19050 1 117 . 1 1 11 11 ILE CD1 C 13 13.343 0.065 . 1 . . . A 86 ILE CD1 . 19050 1 118 . 1 1 11 11 ILE N N 15 121.050 0.049 . 1 . . . A 86 ILE N . 19050 1 119 . 1 1 12 12 GLU H H 1 7.718 0.006 . 1 . . . A 87 GLU H . 19050 1 120 . 1 1 12 12 GLU HA H 1 4.012 0.013 . 1 . . . A 87 GLU HA . 19050 1 121 . 1 1 12 12 GLU HB2 H 1 2.157 0.017 . 1 . . . A 87 GLU HB2 . 19050 1 122 . 1 1 12 12 GLU HG3 H 1 2.368 0.014 . 1 . . . A 87 GLU HG3 . 19050 1 123 . 1 1 12 12 GLU C C 13 179.183 0.005 . 1 . . . A 87 GLU C . 19050 1 124 . 1 1 12 12 GLU CA C 13 59.078 0.088 . 1 . . . A 87 GLU CA . 19050 1 125 . 1 1 12 12 GLU CB C 13 29.369 0.160 . 1 . . . A 87 GLU CB . 19050 1 126 . 1 1 12 12 GLU CG C 13 36.483 0.064 . 1 . . . A 87 GLU CG . 19050 1 127 . 1 1 12 12 GLU N N 15 118.341 0.018 . 1 . . . A 87 GLU N . 19050 1 128 . 1 1 13 13 ALA H H 1 8.038 0.003 . 1 . . . A 88 ALA H . 19050 1 129 . 1 1 13 13 ALA HA H 1 3.880 0.013 . 1 . . . A 88 ALA HA . 19050 1 130 . 1 1 13 13 ALA HB1 H 1 1.133 0.014 . 1 . . . A 88 ALA HB1 . 19050 1 131 . 1 1 13 13 ALA HB2 H 1 1.133 0.014 . 1 . . . A 88 ALA HB2 . 19050 1 132 . 1 1 13 13 ALA HB3 H 1 1.133 0.014 . 1 . . . A 88 ALA HB3 . 19050 1 133 . 1 1 13 13 ALA C C 13 178.594 0.003 . 1 . . . A 88 ALA C . 19050 1 134 . 1 1 13 13 ALA CA C 13 55.200 0.086 . 1 . . . A 88 ALA CA . 19050 1 135 . 1 1 13 13 ALA CB C 13 17.291 0.108 . 1 . . . A 88 ALA CB . 19050 1 136 . 1 1 13 13 ALA N N 15 121.292 0.065 . 1 . . . A 88 ALA N . 19050 1 137 . 1 1 14 14 PHE H H 1 8.442 0.007 . 1 . . . A 89 PHE H . 19050 1 138 . 1 1 14 14 PHE HA H 1 2.974 0.012 . 1 . . . A 89 PHE HA . 19050 1 139 . 1 1 14 14 PHE HB2 H 1 2.945 0.022 . 2 . . . A 89 PHE HB2 . 19050 1 140 . 1 1 14 14 PHE HB3 H 1 3.180 0.021 . 2 . . . A 89 PHE HB3 . 19050 1 141 . 1 1 14 14 PHE HD1 H 1 6.634 0.011 . 3 . . . A 89 PHE HD1 . 19050 1 142 . 1 1 14 14 PHE HD2 H 1 6.634 0.011 . 3 . . . A 89 PHE HD2 . 19050 1 143 . 1 1 14 14 PHE HE1 H 1 7.045 0.016 . 3 . . . A 89 PHE HE1 . 19050 1 144 . 1 1 14 14 PHE HE2 H 1 7.045 0.016 . 3 . . . A 89 PHE HE2 . 19050 1 145 . 1 1 14 14 PHE HZ H 1 6.918 0.004 . 1 . . . A 89 PHE HZ . 19050 1 146 . 1 1 14 14 PHE C C 13 176.920 0.037 . 1 . . . A 89 PHE C . 19050 1 147 . 1 1 14 14 PHE CA C 13 62.274 0.085 . 1 . . . A 89 PHE CA . 19050 1 148 . 1 1 14 14 PHE CB C 13 39.238 0.089 . 1 . . . A 89 PHE CB . 19050 1 149 . 1 1 14 14 PHE CD1 C 13 131.656 0.066 . 3 . . . A 89 PHE CD1 . 19050 1 150 . 1 1 14 14 PHE CD2 C 13 131.656 0.066 . 3 . . . A 89 PHE CD2 . 19050 1 151 . 1 1 14 14 PHE CE1 C 13 131.267 0.100 . 3 . . . A 89 PHE CE1 . 19050 1 152 . 1 1 14 14 PHE CE2 C 13 131.267 0.100 . 3 . . . A 89 PHE CE2 . 19050 1 153 . 1 1 14 14 PHE CZ C 13 131.764 0.050 . 1 . . . A 89 PHE CZ . 19050 1 154 . 1 1 14 14 PHE N N 15 118.869 0.058 . 1 . . . A 89 PHE N . 19050 1 155 . 1 1 15 15 LYS H H 1 7.651 0.006 . 1 . . . A 90 LYS H . 19050 1 156 . 1 1 15 15 LYS HA H 1 3.826 0.008 . 1 . . . A 90 LYS HA . 19050 1 157 . 1 1 15 15 LYS HB2 H 1 1.876 0.016 . 1 . . . A 90 LYS HB2 . 19050 1 158 . 1 1 15 15 LYS HG2 H 1 1.882 0.013 . 2 . . . A 90 LYS HG2 . 19050 1 159 . 1 1 15 15 LYS HG3 H 1 1.568 0.014 . 2 . . . A 90 LYS HG3 . 19050 1 160 . 1 1 15 15 LYS HD3 H 1 1.690 0.009 . 1 . . . A 90 LYS HD3 . 19050 1 161 . 1 1 15 15 LYS HE3 H 1 2.908 0.009 . 1 . . . A 90 LYS HE3 . 19050 1 162 . 1 1 15 15 LYS C C 13 178.143 0.023 . 1 . . . A 90 LYS C . 19050 1 163 . 1 1 15 15 LYS CA C 13 58.993 0.129 . 1 . . . A 90 LYS CA . 19050 1 164 . 1 1 15 15 LYS CB C 13 32.835 0.131 . 1 . . . A 90 LYS CB . 19050 1 165 . 1 1 15 15 LYS CG C 13 25.877 0.093 . 1 . . . A 90 LYS CG . 19050 1 166 . 1 1 15 15 LYS CD C 13 29.715 0.110 . 1 . . . A 90 LYS CD . 19050 1 167 . 1 1 15 15 LYS CE C 13 41.817 0.064 . 1 . . . A 90 LYS CE . 19050 1 168 . 1 1 15 15 LYS N N 15 114.673 0.063 . 1 . . . A 90 LYS N . 19050 1 169 . 1 1 16 16 VAL H H 1 7.289 0.008 . 1 . . . A 91 VAL H . 19050 1 170 . 1 1 16 16 VAL HA H 1 3.289 0.009 . 1 . . . A 91 VAL HA . 19050 1 171 . 1 1 16 16 VAL HB H 1 2.030 0.010 . 1 . . . A 91 VAL HB . 19050 1 172 . 1 1 16 16 VAL HG11 H 1 0.782 0.017 . 2 . . . A 91 VAL HG11 . 19050 1 173 . 1 1 16 16 VAL HG12 H 1 0.782 0.017 . 2 . . . A 91 VAL HG12 . 19050 1 174 . 1 1 16 16 VAL HG13 H 1 0.782 0.017 . 2 . . . A 91 VAL HG13 . 19050 1 175 . 1 1 16 16 VAL HG21 H 1 0.114 0.007 . 2 . . . A 91 VAL HG21 . 19050 1 176 . 1 1 16 16 VAL HG22 H 1 0.114 0.007 . 2 . . . A 91 VAL HG22 . 19050 1 177 . 1 1 16 16 VAL HG23 H 1 0.114 0.007 . 2 . . . A 91 VAL HG23 . 19050 1 178 . 1 1 16 16 VAL C C 13 176.506 0.005 . 1 . . . A 91 VAL C . 19050 1 179 . 1 1 16 16 VAL CA C 13 65.581 0.083 . 1 . . . A 91 VAL CA . 19050 1 180 . 1 1 16 16 VAL CB C 13 30.954 0.108 . 1 . . . A 91 VAL CB . 19050 1 181 . 1 1 16 16 VAL CG1 C 13 23.072 0.109 . 2 . . . A 91 VAL CG1 . 19050 1 182 . 1 1 16 16 VAL CG2 C 13 20.205 0.070 . 2 . . . A 91 VAL CG2 . 19050 1 183 . 1 1 16 16 VAL N N 15 118.655 0.068 . 1 . . . A 91 VAL N . 19050 1 184 . 1 1 17 17 PHE H H 1 6.788 0.013 . 1 . . . A 92 PHE H . 19050 1 185 . 1 1 17 17 PHE HA H 1 4.131 0.012 . 1 . . . A 92 PHE HA . 19050 1 186 . 1 1 17 17 PHE HB2 H 1 2.428 0.014 . 2 . . . A 92 PHE HB2 . 19050 1 187 . 1 1 17 17 PHE HB3 H 1 2.647 0.012 . 2 . . . A 92 PHE HB3 . 19050 1 188 . 1 1 17 17 PHE HD1 H 1 7.251 0.014 . 3 . . . A 92 PHE HD1 . 19050 1 189 . 1 1 17 17 PHE HD2 H 1 7.251 0.014 . 3 . . . A 92 PHE HD2 . 19050 1 190 . 1 1 17 17 PHE HE1 H 1 7.088 0.029 . 3 . . . A 92 PHE HE1 . 19050 1 191 . 1 1 17 17 PHE HE2 H 1 7.088 0.029 . 3 . . . A 92 PHE HE2 . 19050 1 192 . 1 1 17 17 PHE HZ H 1 7.217 0.023 . 1 . . . A 92 PHE HZ . 19050 1 193 . 1 1 17 17 PHE C C 13 175.735 0.014 . 1 . . . A 92 PHE C . 19050 1 194 . 1 1 17 17 PHE CA C 13 60.560 0.130 . 1 . . . A 92 PHE CA . 19050 1 195 . 1 1 17 17 PHE CB C 13 40.660 0.066 . 1 . . . A 92 PHE CB . 19050 1 196 . 1 1 17 17 PHE CD1 C 13 131.834 0.032 . 3 . . . A 92 PHE CD1 . 19050 1 197 . 1 1 17 17 PHE CD2 C 13 131.834 0.032 . 3 . . . A 92 PHE CD2 . 19050 1 198 . 1 1 17 17 PHE CE1 C 13 130.489 0.093 . 3 . . . A 92 PHE CE1 . 19050 1 199 . 1 1 17 17 PHE CE2 C 13 130.489 0.093 . 3 . . . A 92 PHE CE2 . 19050 1 200 . 1 1 17 17 PHE CZ C 13 129.212 0.049 . 1 . . . A 92 PHE CZ . 19050 1 201 . 1 1 17 17 PHE N N 15 115.100 0.049 . 1 . . . A 92 PHE N . 19050 1 202 . 1 1 18 18 ASP H H 1 7.720 0.008 . 1 . . . A 93 ASP H . 19050 1 203 . 1 1 18 18 ASP HA H 1 4.508 0.015 . 1 . . . A 93 ASP HA . 19050 1 204 . 1 1 18 18 ASP HB2 H 1 1.343 0.013 . 2 . . . A 93 ASP HB2 . 19050 1 205 . 1 1 18 18 ASP HB3 H 1 2.219 0.019 . 2 . . . A 93 ASP HB3 . 19050 1 206 . 1 1 18 18 ASP C C 13 177.583 0.011 . 1 . . . A 93 ASP C . 19050 1 207 . 1 1 18 18 ASP CA C 13 51.872 0.129 . 1 . . . A 93 ASP CA . 19050 1 208 . 1 1 18 18 ASP CB C 13 38.448 0.106 . 1 . . . A 93 ASP CB . 19050 1 209 . 1 1 18 18 ASP N N 15 115.789 0.052 . 1 . . . A 93 ASP N . 19050 1 210 . 1 1 19 19 ARG H H 1 7.511 0.010 . 1 . . . A 94 ARG H . 19050 1 211 . 1 1 19 19 ARG HA H 1 3.817 0.016 . 1 . . . A 94 ARG HA . 19050 1 212 . 1 1 19 19 ARG HB2 H 1 1.738 0.018 . 2 . . . A 94 ARG HB2 . 19050 1 213 . 1 1 19 19 ARG HB3 H 1 1.901 0.011 . 2 . . . A 94 ARG HB3 . 19050 1 214 . 1 1 19 19 ARG HG2 H 1 1.735 0.013 . 2 . . . A 94 ARG HG2 . 19050 1 215 . 1 1 19 19 ARG HG3 H 1 1.586 0.018 . 2 . . . A 94 ARG HG3 . 19050 1 216 . 1 1 19 19 ARG HD2 H 1 3.085 0.014 . 1 . . . A 94 ARG HD2 . 19050 1 217 . 1 1 19 19 ARG C C 13 178.022 0.025 . 1 . . . A 94 ARG C . 19050 1 218 . 1 1 19 19 ARG CA C 13 59.454 0.122 . 1 . . . A 94 ARG CA . 19050 1 219 . 1 1 19 19 ARG CB C 13 30.867 0.110 . 1 . . . A 94 ARG CB . 19050 1 220 . 1 1 19 19 ARG CG C 13 26.954 0.191 . 1 . . . A 94 ARG CG . 19050 1 221 . 1 1 19 19 ARG CD C 13 43.146 0.146 . 1 . . . A 94 ARG CD . 19050 1 222 . 1 1 19 19 ARG N N 15 124.129 0.041 . 1 . . . A 94 ARG N . 19050 1 223 . 1 1 20 20 ASP H H 1 8.278 0.008 . 1 . . . A 95 ASP H . 19050 1 224 . 1 1 20 20 ASP HA H 1 4.531 0.012 . 1 . . . A 95 ASP HA . 19050 1 225 . 1 1 20 20 ASP HB2 H 1 2.626 0.012 . 2 . . . A 95 ASP HB2 . 19050 1 226 . 1 1 20 20 ASP HB3 H 1 3.066 0.012 . 2 . . . A 95 ASP HB3 . 19050 1 227 . 1 1 20 20 ASP C C 13 177.952 0.009 . 1 . . . A 95 ASP C . 19050 1 228 . 1 1 20 20 ASP CA C 13 53.019 0.103 . 1 . . . A 95 ASP CA . 19050 1 229 . 1 1 20 20 ASP CB C 13 39.675 0.156 . 1 . . . A 95 ASP CB . 19050 1 230 . 1 1 20 20 ASP N N 15 113.762 0.031 . 1 . . . A 95 ASP N . 19050 1 231 . 1 1 21 21 GLY H H 1 7.745 0.004 . 1 . . . A 96 GLY H . 19050 1 232 . 1 1 21 21 GLY HA2 H 1 3.857 0.023 . 1 . . . A 96 GLY HA2 . 19050 1 233 . 1 1 21 21 GLY HA3 H 1 3.856 0.018 . 1 . . . A 96 GLY HA3 . 19050 1 234 . 1 1 21 21 GLY C C 13 175.040 0.005 . 1 . . . A 96 GLY C . 19050 1 235 . 1 1 21 21 GLY CA C 13 47.097 0.087 . 1 . . . A 96 GLY CA . 19050 1 236 . 1 1 21 21 GLY N N 15 108.646 0.026 . 1 . . . A 96 GLY N . 19050 1 237 . 1 1 22 22 ASN H H 1 8.202 0.006 . 1 . . . A 97 ASN H . 19050 1 238 . 1 1 22 22 ASN HA H 1 4.611 0.014 . 1 . . . A 97 ASN HA . 19050 1 239 . 1 1 22 22 ASN HB2 H 1 2.598 0.018 . 2 . . . A 97 ASN HB2 . 19050 1 240 . 1 1 22 22 ASN HB3 H 1 3.269 0.011 . 2 . . . A 97 ASN HB3 . 19050 1 241 . 1 1 22 22 ASN HD21 H 1 6.825 0.030 . 1 . . . A 97 ASN HD21 . 19050 1 242 . 1 1 22 22 ASN HD22 H 1 7.959 0.006 . 1 . . . A 97 ASN HD22 . 19050 1 243 . 1 1 22 22 ASN C C 13 176.101 0.010 . 1 . . . A 97 ASN C . 19050 1 244 . 1 1 22 22 ASN CA C 13 52.563 0.096 . 1 . . . A 97 ASN CA . 19050 1 245 . 1 1 22 22 ASN CB C 13 37.775 0.104 . 1 . . . A 97 ASN CB . 19050 1 246 . 1 1 22 22 ASN N N 15 119.389 0.026 . 1 . . . A 97 ASN N . 19050 1 247 . 1 1 22 22 ASN ND2 N 15 115.323 0.184 . 1 . . . A 97 ASN ND2 . 19050 1 248 . 1 1 23 23 GLY H H 1 10.849 0.003 . 1 . . . A 98 GLY H . 19050 1 249 . 1 1 23 23 GLY HA2 H 1 4.272 0.008 . 2 . . . A 98 GLY HA2 . 19050 1 250 . 1 1 23 23 GLY HA3 H 1 3.641 0.011 . 2 . . . A 98 GLY HA3 . 19050 1 251 . 1 1 23 23 GLY C C 13 172.995 0.010 . 1 . . . A 98 GLY C . 19050 1 252 . 1 1 23 23 GLY CA C 13 45.281 0.069 . 1 . . . A 98 GLY CA . 19050 1 253 . 1 1 23 23 GLY N N 15 113.536 0.058 . 1 . . . A 98 GLY N . 19050 1 254 . 1 1 24 24 LEU H H 1 7.491 0.011 . 1 . . . A 99 LEU H . 19050 1 255 . 1 1 24 24 LEU HA H 1 4.885 0.009 . 1 . . . A 99 LEU HA . 19050 1 256 . 1 1 24 24 LEU HB2 H 1 0.960 0.014 . 2 . . . A 99 LEU HB2 . 19050 1 257 . 1 1 24 24 LEU HB3 H 1 1.567 0.009 . 2 . . . A 99 LEU HB3 . 19050 1 258 . 1 1 24 24 LEU HG H 1 1.333 0.017 . 1 . . . A 99 LEU HG . 19050 1 259 . 1 1 24 24 LEU HD11 H 1 0.882 0.009 . 2 . . . A 99 LEU HD11 . 19050 1 260 . 1 1 24 24 LEU HD12 H 1 0.882 0.009 . 2 . . . A 99 LEU HD12 . 19050 1 261 . 1 1 24 24 LEU HD13 H 1 0.882 0.009 . 2 . . . A 99 LEU HD13 . 19050 1 262 . 1 1 24 24 LEU HD21 H 1 0.438 0.011 . 2 . . . A 99 LEU HD21 . 19050 1 263 . 1 1 24 24 LEU HD22 H 1 0.438 0.011 . 2 . . . A 99 LEU HD22 . 19050 1 264 . 1 1 24 24 LEU HD23 H 1 0.438 0.011 . 2 . . . A 99 LEU HD23 . 19050 1 265 . 1 1 24 24 LEU C C 13 175.779 0.032 . 1 . . . A 99 LEU C . 19050 1 266 . 1 1 24 24 LEU CA C 13 52.679 0.094 . 1 . . . A 99 LEU CA . 19050 1 267 . 1 1 24 24 LEU CB C 13 46.301 0.073 . 1 . . . A 99 LEU CB . 19050 1 268 . 1 1 24 24 LEU CG C 13 25.799 0.097 . 1 . . . A 99 LEU CG . 19050 1 269 . 1 1 24 24 LEU CD1 C 13 23.517 0.110 . 2 . . . A 99 LEU CD1 . 19050 1 270 . 1 1 24 24 LEU CD2 C 13 25.160 0.103 . 2 . . . A 99 LEU CD2 . 19050 1 271 . 1 1 24 24 LEU N N 15 119.091 0.033 . 1 . . . A 99 LEU N . 19050 1 272 . 1 1 25 25 ILE H H 1 9.961 0.006 . 1 . . . A 100 ILE H . 19050 1 273 . 1 1 25 25 ILE HA H 1 4.708 0.018 . 1 . . . A 100 ILE HA . 19050 1 274 . 1 1 25 25 ILE HB H 1 1.961 0.012 . 1 . . . A 100 ILE HB . 19050 1 275 . 1 1 25 25 ILE HG12 H 1 0.118 0.012 . 2 . . . A 100 ILE HG12 . 19050 1 276 . 1 1 25 25 ILE HG13 H 1 1.344 0.013 . 2 . . . A 100 ILE HG13 . 19050 1 277 . 1 1 25 25 ILE HG21 H 1 0.954 0.013 . 1 . . . A 100 ILE HG21 . 19050 1 278 . 1 1 25 25 ILE HG22 H 1 0.954 0.013 . 1 . . . A 100 ILE HG22 . 19050 1 279 . 1 1 25 25 ILE HG23 H 1 0.954 0.013 . 1 . . . A 100 ILE HG23 . 19050 1 280 . 1 1 25 25 ILE HD11 H 1 0.403 0.010 . 1 . . . A 100 ILE HD11 . 19050 1 281 . 1 1 25 25 ILE HD12 H 1 0.403 0.010 . 1 . . . A 100 ILE HD12 . 19050 1 282 . 1 1 25 25 ILE HD13 H 1 0.403 0.010 . 1 . . . A 100 ILE HD13 . 19050 1 283 . 1 1 25 25 ILE C C 13 175.828 0.011 . 1 . . . A 100 ILE C . 19050 1 284 . 1 1 25 25 ILE CA C 13 61.451 0.099 . 1 . . . A 100 ILE CA . 19050 1 285 . 1 1 25 25 ILE CB C 13 38.773 0.071 . 1 . . . A 100 ILE CB . 19050 1 286 . 1 1 25 25 ILE CG1 C 13 26.768 0.071 . 1 . . . A 100 ILE CG1 . 19050 1 287 . 1 1 25 25 ILE CG2 C 13 17.724 0.066 . 1 . . . A 100 ILE CG2 . 19050 1 288 . 1 1 25 25 ILE CD1 C 13 15.651 0.063 . 1 . . . A 100 ILE CD1 . 19050 1 289 . 1 1 25 25 ILE N N 15 128.255 0.021 . 1 . . . A 100 ILE N . 19050 1 290 . 1 1 26 26 SER H H 1 9.270 0.006 . 1 . . . A 101 SER H . 19050 1 291 . 1 1 26 26 SER HA H 1 4.783 0.016 . 1 . . . A 101 SER HA . 19050 1 292 . 1 1 26 26 SER HB2 H 1 3.996 0.010 . 2 . . . A 101 SER HB2 . 19050 1 293 . 1 1 26 26 SER HB3 H 1 4.377 0.010 . 2 . . . A 101 SER HB3 . 19050 1 294 . 1 1 26 26 SER C C 13 174.834 0.050 . 1 . . . A 101 SER C . 19050 1 295 . 1 1 26 26 SER CA C 13 55.506 0.086 . 1 . . . A 101 SER CA . 19050 1 296 . 1 1 26 26 SER CB C 13 67.093 0.160 . 1 . . . A 101 SER CB . 19050 1 297 . 1 1 26 26 SER N N 15 124.506 0.052 . 1 . . . A 101 SER N . 19050 1 298 . 1 1 27 27 ALA H H 1 9.219 0.007 . 1 . . . A 102 ALA H . 19050 1 299 . 1 1 27 27 ALA HA H 1 3.872 0.013 . 1 . . . A 102 ALA HA . 19050 1 300 . 1 1 27 27 ALA HB1 H 1 1.417 0.011 . 1 . . . A 102 ALA HB1 . 19050 1 301 . 1 1 27 27 ALA HB2 H 1 1.417 0.011 . 1 . . . A 102 ALA HB2 . 19050 1 302 . 1 1 27 27 ALA HB3 H 1 1.417 0.011 . 1 . . . A 102 ALA HB3 . 19050 1 303 . 1 1 27 27 ALA C C 13 179.294 0.003 . 1 . . . A 102 ALA C . 19050 1 304 . 1 1 27 27 ALA CA C 13 55.722 0.121 . 1 . . . A 102 ALA CA . 19050 1 305 . 1 1 27 27 ALA CB C 13 17.942 0.089 . 1 . . . A 102 ALA CB . 19050 1 306 . 1 1 27 27 ALA N N 15 123.242 0.031 . 1 . . . A 102 ALA N . 19050 1 307 . 1 1 28 28 ALA H H 1 8.206 0.004 . 1 . . . A 103 ALA H . 19050 1 308 . 1 1 28 28 ALA HA H 1 4.065 0.010 . 1 . . . A 103 ALA HA . 19050 1 309 . 1 1 28 28 ALA HB1 H 1 1.429 0.013 . 1 . . . A 103 ALA HB1 . 19050 1 310 . 1 1 28 28 ALA HB2 H 1 1.429 0.013 . 1 . . . A 103 ALA HB2 . 19050 1 311 . 1 1 28 28 ALA HB3 H 1 1.429 0.013 . 1 . . . A 103 ALA HB3 . 19050 1 312 . 1 1 28 28 ALA C C 13 181.791 0.016 . 1 . . . A 103 ALA C . 19050 1 313 . 1 1 28 28 ALA CA C 13 55.100 0.081 . 1 . . . A 103 ALA CA . 19050 1 314 . 1 1 28 28 ALA CB C 13 18.303 0.102 . 1 . . . A 103 ALA CB . 19050 1 315 . 1 1 28 28 ALA N N 15 118.440 0.039 . 1 . . . A 103 ALA N . 19050 1 316 . 1 1 29 29 GLU H H 1 7.905 0.006 . 1 . . . A 104 GLU H . 19050 1 317 . 1 1 29 29 GLU HA H 1 4.022 0.018 . 1 . . . A 104 GLU HA . 19050 1 318 . 1 1 29 29 GLU HB2 H 1 2.589 0.017 . 2 . . . A 104 GLU HB2 . 19050 1 319 . 1 1 29 29 GLU HB3 H 1 2.794 0.017 . 2 . . . A 104 GLU HB3 . 19050 1 320 . 1 1 29 29 GLU HG2 H 1 2.206 0.020 . 2 . . . A 104 GLU HG2 . 19050 1 321 . 1 1 29 29 GLU HG3 H 1 2.609 0.018 . 2 . . . A 104 GLU HG3 . 19050 1 322 . 1 1 29 29 GLU C C 13 178.034 0.004 . 1 . . . A 104 GLU C . 19050 1 323 . 1 1 29 29 GLU CA C 13 59.680 0.100 . 1 . . . A 104 GLU CA . 19050 1 324 . 1 1 29 29 GLU CB C 13 28.956 0.096 . 1 . . . A 104 GLU CB . 19050 1 325 . 1 1 29 29 GLU CG C 13 38.055 0.050 . 1 . . . A 104 GLU CG . 19050 1 326 . 1 1 29 29 GLU N N 15 120.314 0.021 . 1 . . . A 104 GLU N . 19050 1 327 . 1 1 30 30 LEU H H 1 8.586 0.012 . 1 . . . A 105 LEU H . 19050 1 328 . 1 1 30 30 LEU HA H 1 4.109 0.010 . 1 . . . A 105 LEU HA . 19050 1 329 . 1 1 30 30 LEU HB2 H 1 1.869 0.013 . 2 . . . A 105 LEU HB2 . 19050 1 330 . 1 1 30 30 LEU HB3 H 1 1.573 0.016 . 2 . . . A 105 LEU HB3 . 19050 1 331 . 1 1 30 30 LEU HG H 1 1.574 0.015 . 1 . . . A 105 LEU HG . 19050 1 332 . 1 1 30 30 LEU HD11 H 1 0.857 0.015 . 2 . . . A 105 LEU HD11 . 19050 1 333 . 1 1 30 30 LEU HD12 H 1 0.857 0.015 . 2 . . . A 105 LEU HD12 . 19050 1 334 . 1 1 30 30 LEU HD13 H 1 0.857 0.015 . 2 . . . A 105 LEU HD13 . 19050 1 335 . 1 1 30 30 LEU HD21 H 1 0.843 0.022 . 2 . . . A 105 LEU HD21 . 19050 1 336 . 1 1 30 30 LEU HD22 H 1 0.843 0.022 . 2 . . . A 105 LEU HD22 . 19050 1 337 . 1 1 30 30 LEU HD23 H 1 0.843 0.022 . 2 . . . A 105 LEU HD23 . 19050 1 338 . 1 1 30 30 LEU C C 13 178.607 0.009 . 1 . . . A 105 LEU C . 19050 1 339 . 1 1 30 30 LEU CA C 13 58.633 0.103 . 1 . . . A 105 LEU CA . 19050 1 340 . 1 1 30 30 LEU CB C 13 42.242 0.091 . 1 . . . A 105 LEU CB . 19050 1 341 . 1 1 30 30 LEU CG C 13 27.029 0.076 . 1 . . . A 105 LEU CG . 19050 1 342 . 1 1 30 30 LEU CD1 C 13 24.374 0.150 . 2 . . . A 105 LEU CD1 . 19050 1 343 . 1 1 30 30 LEU CD2 C 13 25.868 0.084 . 2 . . . A 105 LEU CD2 . 19050 1 344 . 1 1 30 30 LEU N N 15 119.500 0.024 . 1 . . . A 105 LEU N . 19050 1 345 . 1 1 31 31 ARG H H 1 8.690 0.006 . 1 . . . A 106 ARG H . 19050 1 346 . 1 1 31 31 ARG HA H 1 3.831 0.007 . 1 . . . A 106 ARG HA . 19050 1 347 . 1 1 31 31 ARG HB3 H 1 1.972 0.014 . 1 . . . A 106 ARG HB3 . 19050 1 348 . 1 1 31 31 ARG HG3 H 1 1.651 0.018 . 1 . . . A 106 ARG HG3 . 19050 1 349 . 1 1 31 31 ARG HD2 H 1 3.178 0.013 . 2 . . . A 106 ARG HD2 . 19050 1 350 . 1 1 31 31 ARG HD3 H 1 3.231 0.020 . 2 . . . A 106 ARG HD3 . 19050 1 351 . 1 1 31 31 ARG HE H 1 7.256 0.003 . 1 . . . A 106 ARG HE . 19050 1 352 . 1 1 31 31 ARG C C 13 178.932 0.070 . 1 . . . A 106 ARG C . 19050 1 353 . 1 1 31 31 ARG CA C 13 60.018 0.105 . 1 . . . A 106 ARG CA . 19050 1 354 . 1 1 31 31 ARG CB C 13 30.671 0.140 . 1 . . . A 106 ARG CB . 19050 1 355 . 1 1 31 31 ARG CG C 13 27.671 0.137 . 1 . . . A 106 ARG CG . 19050 1 356 . 1 1 31 31 ARG CD C 13 43.428 0.194 . 1 . . . A 106 ARG CD . 19050 1 357 . 1 1 31 31 ARG N N 15 116.602 0.056 . 1 . . . A 106 ARG N . 19050 1 358 . 1 1 31 31 ARG NE N 15 84.659 0.020 . 1 . . . A 106 ARG NE . 19050 1 359 . 1 1 32 32 HIS H H 1 7.992 0.022 . 1 . . . A 107 HIS H . 19050 1 360 . 1 1 32 32 HIS HA H 1 4.199 0.010 . 1 . . . A 107 HIS HA . 19050 1 361 . 1 1 32 32 HIS HB2 H 1 3.271 0.019 . 2 . . . A 107 HIS HB2 . 19050 1 362 . 1 1 32 32 HIS HB3 H 1 3.302 0.022 . 2 . . . A 107 HIS HB3 . 19050 1 363 . 1 1 32 32 HIS HD2 H 1 6.763 0.011 . 1 . . . A 107 HIS HD2 . 19050 1 364 . 1 1 32 32 HIS C C 13 177.974 0.029 . 1 . . . A 107 HIS C . 19050 1 365 . 1 1 32 32 HIS CA C 13 60.144 0.144 . 1 . . . A 107 HIS CA . 19050 1 366 . 1 1 32 32 HIS CB C 13 31.385 0.166 . 1 . . . A 107 HIS CB . 19050 1 367 . 1 1 32 32 HIS CD2 C 13 119.403 0.038 . 1 . . . A 107 HIS CD2 . 19050 1 368 . 1 1 32 32 HIS N N 15 119.516 0.074 . 1 . . . A 107 HIS N . 19050 1 369 . 1 1 33 33 VAL H H 1 8.770 0.011 . 1 . . . A 108 VAL H . 19050 1 370 . 1 1 33 33 VAL HA H 1 3.565 0.014 . 1 . . . A 108 VAL HA . 19050 1 371 . 1 1 33 33 VAL HB H 1 2.047 0.011 . 1 . . . A 108 VAL HB . 19050 1 372 . 1 1 33 33 VAL HG11 H 1 0.363 0.014 . 2 . . . A 108 VAL HG11 . 19050 1 373 . 1 1 33 33 VAL HG12 H 1 0.363 0.014 . 2 . . . A 108 VAL HG12 . 19050 1 374 . 1 1 33 33 VAL HG13 H 1 0.363 0.014 . 2 . . . A 108 VAL HG13 . 19050 1 375 . 1 1 33 33 VAL HG21 H 1 1.189 0.011 . 2 . . . A 108 VAL HG21 . 19050 1 376 . 1 1 33 33 VAL HG22 H 1 1.189 0.011 . 2 . . . A 108 VAL HG22 . 19050 1 377 . 1 1 33 33 VAL HG23 H 1 1.189 0.011 . 2 . . . A 108 VAL HG23 . 19050 1 378 . 1 1 33 33 VAL C C 13 178.357 0.005 . 1 . . . A 108 VAL C . 19050 1 379 . 1 1 33 33 VAL CA C 13 66.815 0.172 . 1 . . . A 108 VAL CA . 19050 1 380 . 1 1 33 33 VAL CB C 13 31.998 0.104 . 1 . . . A 108 VAL CB . 19050 1 381 . 1 1 33 33 VAL CG1 C 13 21.804 0.068 . 2 . . . A 108 VAL CG1 . 19050 1 382 . 1 1 33 33 VAL CG2 C 13 23.358 0.069 . 2 . . . A 108 VAL CG2 . 19050 1 383 . 1 1 33 33 VAL N N 15 119.415 0.041 . 1 . . . A 108 VAL N . 19050 1 384 . 1 1 34 34 MET H H 1 8.498 0.004 . 1 . . . A 109 MET H . 19050 1 385 . 1 1 34 34 MET HA H 1 4.244 0.026 . 1 . . . A 109 MET HA . 19050 1 386 . 1 1 34 34 MET HB2 H 1 2.390 0.019 . 2 . . . A 109 MET HB2 . 19050 1 387 . 1 1 34 34 MET HB3 H 1 2.079 0.024 . 2 . . . A 109 MET HB3 . 19050 1 388 . 1 1 34 34 MET HG2 H 1 2.462 0.030 . 2 . . . A 109 MET HG2 . 19050 1 389 . 1 1 34 34 MET HG3 H 1 2.938 0.020 . 2 . . . A 109 MET HG3 . 19050 1 390 . 1 1 34 34 MET HE1 H 1 1.925 0.013 . 1 . . . A 109 MET HE1 . 19050 1 391 . 1 1 34 34 MET HE2 H 1 1.925 0.013 . 1 . . . A 109 MET HE2 . 19050 1 392 . 1 1 34 34 MET HE3 H 1 1.925 0.013 . 1 . . . A 109 MET HE3 . 19050 1 393 . 1 1 34 34 MET C C 13 178.815 0.022 . 1 . . . A 109 MET C . 19050 1 394 . 1 1 34 34 MET CA C 13 58.435 0.098 . 1 . . . A 109 MET CA . 19050 1 395 . 1 1 34 34 MET CB C 13 30.722 0.121 . 1 . . . A 109 MET CB . 19050 1 396 . 1 1 34 34 MET CG C 13 34.205 0.086 . 1 . . . A 109 MET CG . 19050 1 397 . 1 1 34 34 MET CE C 13 18.440 0.045 . 1 . . . A 109 MET CE . 19050 1 398 . 1 1 34 34 MET N N 15 115.732 0.034 . 1 . . . A 109 MET N . 19050 1 399 . 1 1 35 35 THR H H 1 7.869 0.007 . 1 . . . A 110 THR H . 19050 1 400 . 1 1 35 35 THR HA H 1 3.995 0.010 . 1 . . . A 110 THR HA . 19050 1 401 . 1 1 35 35 THR HB H 1 4.285 0.010 . 1 . . . A 110 THR HB . 19050 1 402 . 1 1 35 35 THR HG21 H 1 1.218 0.012 . 1 . . . A 110 THR HG21 . 19050 1 403 . 1 1 35 35 THR HG22 H 1 1.218 0.012 . 1 . . . A 110 THR HG22 . 19050 1 404 . 1 1 35 35 THR HG23 H 1 1.218 0.012 . 1 . . . A 110 THR HG23 . 19050 1 405 . 1 1 35 35 THR C C 13 178.024 0.000 . 1 . . . A 110 THR C . 19050 1 406 . 1 1 35 35 THR CA C 13 66.750 0.109 . 1 . . . A 110 THR CA . 19050 1 407 . 1 1 35 35 THR CB C 13 68.435 0.156 . 1 . . . A 110 THR CB . 19050 1 408 . 1 1 35 35 THR CG2 C 13 21.300 0.078 . 1 . . . A 110 THR CG2 . 19050 1 409 . 1 1 35 35 THR N N 15 114.958 0.040 . 1 . . . A 110 THR N . 19050 1 410 . 1 1 36 36 ASN H H 1 7.798 0.005 . 1 . . . A 111 ASN H . 19050 1 411 . 1 1 36 36 ASN HA H 1 4.443 0.021 . 1 . . . A 111 ASN HA . 19050 1 412 . 1 1 36 36 ASN HB2 H 1 2.784 0.018 . 2 . . . A 111 ASN HB2 . 19050 1 413 . 1 1 36 36 ASN HB3 H 1 2.811 0.018 . 2 . . . A 111 ASN HB3 . 19050 1 414 . 1 1 36 36 ASN HD21 H 1 6.542 0.007 . 1 . . . A 111 ASN HD21 . 19050 1 415 . 1 1 36 36 ASN HD22 H 1 7.408 0.004 . 1 . . . A 111 ASN HD22 . 19050 1 416 . 1 1 36 36 ASN C C 13 176.395 0.009 . 1 . . . A 111 ASN C . 19050 1 417 . 1 1 36 36 ASN CA C 13 55.992 0.125 . 1 . . . A 111 ASN CA . 19050 1 418 . 1 1 36 36 ASN CB C 13 38.394 0.141 . 1 . . . A 111 ASN CB . 19050 1 419 . 1 1 36 36 ASN N N 15 122.242 0.017 . 1 . . . A 111 ASN N . 19050 1 420 . 1 1 36 36 ASN ND2 N 15 111.425 0.241 . 1 . . . A 111 ASN ND2 . 19050 1 421 . 1 1 37 37 LEU H H 1 7.906 0.006 . 1 . . . A 112 LEU H . 19050 1 422 . 1 1 37 37 LEU HA H 1 4.410 0.020 . 1 . . . A 112 LEU HA . 19050 1 423 . 1 1 37 37 LEU HB2 H 1 1.854 0.018 . 2 . . . A 112 LEU HB2 . 19050 1 424 . 1 1 37 37 LEU HB3 H 1 1.955 0.018 . 2 . . . A 112 LEU HB3 . 19050 1 425 . 1 1 37 37 LEU HG H 1 1.864 0.019 . 1 . . . A 112 LEU HG . 19050 1 426 . 1 1 37 37 LEU HD11 H 1 0.797 0.016 . 2 . . . A 112 LEU HD11 . 19050 1 427 . 1 1 37 37 LEU HD12 H 1 0.797 0.016 . 2 . . . A 112 LEU HD12 . 19050 1 428 . 1 1 37 37 LEU HD13 H 1 0.797 0.016 . 2 . . . A 112 LEU HD13 . 19050 1 429 . 1 1 37 37 LEU HD21 H 1 0.814 0.017 . 2 . . . A 112 LEU HD21 . 19050 1 430 . 1 1 37 37 LEU HD22 H 1 0.814 0.017 . 2 . . . A 112 LEU HD22 . 19050 1 431 . 1 1 37 37 LEU HD23 H 1 0.814 0.017 . 2 . . . A 112 LEU HD23 . 19050 1 432 . 1 1 37 37 LEU C C 13 176.732 0.015 . 1 . . . A 112 LEU C . 19050 1 433 . 1 1 37 37 LEU CA C 13 54.760 0.126 . 1 . . . A 112 LEU CA . 19050 1 434 . 1 1 37 37 LEU CB C 13 41.340 0.105 . 1 . . . A 112 LEU CB . 19050 1 435 . 1 1 37 37 LEU CG C 13 26.805 0.191 . 1 . . . A 112 LEU CG . 19050 1 436 . 1 1 37 37 LEU CD1 C 13 25.629 0.071 . 2 . . . A 112 LEU CD1 . 19050 1 437 . 1 1 37 37 LEU CD2 C 13 22.438 0.062 . 2 . . . A 112 LEU CD2 . 19050 1 438 . 1 1 37 37 LEU N N 15 118.707 0.035 . 1 . . . A 112 LEU N . 19050 1 439 . 1 1 38 38 GLY H H 1 7.646 0.008 . 1 . . . A 113 GLY H . 19050 1 440 . 1 1 38 38 GLY HA2 H 1 4.181 0.016 . 2 . . . A 113 GLY HA2 . 19050 1 441 . 1 1 38 38 GLY HA3 H 1 3.748 0.014 . 2 . . . A 113 GLY HA3 . 19050 1 442 . 1 1 38 38 GLY C C 13 174.243 0.018 . 1 . . . A 113 GLY C . 19050 1 443 . 1 1 38 38 GLY CA C 13 45.913 0.123 . 1 . . . A 113 GLY CA . 19050 1 444 . 1 1 38 38 GLY N N 15 105.912 0.040 . 1 . . . A 113 GLY N . 19050 1 445 . 1 1 39 39 GLU H H 1 8.092 0.008 . 1 . . . A 114 GLU H . 19050 1 446 . 1 1 39 39 GLU HA H 1 4.449 0.010 . 1 . . . A 114 GLU HA . 19050 1 447 . 1 1 39 39 GLU HB2 H 1 1.659 0.014 . 2 . . . A 114 GLU HB2 . 19050 1 448 . 1 1 39 39 GLU HB3 H 1 1.945 0.016 . 2 . . . A 114 GLU HB3 . 19050 1 449 . 1 1 39 39 GLU HG2 H 1 2.220 0.014 . 2 . . . A 114 GLU HG2 . 19050 1 450 . 1 1 39 39 GLU HG3 H 1 2.021 0.022 . 2 . . . A 114 GLU HG3 . 19050 1 451 . 1 1 39 39 GLU C C 13 174.862 0.008 . 1 . . . A 114 GLU C . 19050 1 452 . 1 1 39 39 GLU CA C 13 54.226 0.099 . 1 . . . A 114 GLU CA . 19050 1 453 . 1 1 39 39 GLU CB C 13 30.091 0.128 . 1 . . . A 114 GLU CB . 19050 1 454 . 1 1 39 39 GLU CG C 13 35.295 0.087 . 1 . . . A 114 GLU CG . 19050 1 455 . 1 1 39 39 GLU N N 15 120.382 0.040 . 1 . . . A 114 GLU N . 19050 1 456 . 1 1 40 40 LYS H H 1 8.540 0.004 . 1 . . . A 115 LYS H . 19050 1 457 . 1 1 40 40 LYS HA H 1 4.340 0.016 . 1 . . . A 115 LYS HA . 19050 1 458 . 1 1 40 40 LYS HB3 H 1 1.747 0.024 . 1 . . . A 115 LYS HB3 . 19050 1 459 . 1 1 40 40 LYS HG3 H 1 1.310 0.012 . 1 . . . A 115 LYS HG3 . 19050 1 460 . 1 1 40 40 LYS HD3 H 1 1.663 0.012 . 1 . . . A 115 LYS HD3 . 19050 1 461 . 1 1 40 40 LYS HE3 H 1 2.971 0.014 . 1 . . . A 115 LYS HE3 . 19050 1 462 . 1 1 40 40 LYS C C 13 175.509 0.008 . 1 . . . A 115 LYS C . 19050 1 463 . 1 1 40 40 LYS CA C 13 55.801 0.121 . 1 . . . A 115 LYS CA . 19050 1 464 . 1 1 40 40 LYS CB C 13 31.785 0.100 . 1 . . . A 115 LYS CB . 19050 1 465 . 1 1 40 40 LYS CG C 13 24.377 0.197 . 1 . . . A 115 LYS CG . 19050 1 466 . 1 1 40 40 LYS CD C 13 28.958 0.085 . 1 . . . A 115 LYS CD . 19050 1 467 . 1 1 40 40 LYS CE C 13 41.856 0.055 . 1 . . . A 115 LYS CE . 19050 1 468 . 1 1 40 40 LYS N N 15 124.202 0.032 . 1 . . . A 115 LYS N . 19050 1 469 . 1 1 41 41 LEU H H 1 8.127 0.005 . 1 . . . A 116 LEU H . 19050 1 470 . 1 1 41 41 LEU HA H 1 4.819 0.012 . 1 . . . A 116 LEU HA . 19050 1 471 . 1 1 41 41 LEU HB2 H 1 1.516 0.023 . 2 . . . A 116 LEU HB2 . 19050 1 472 . 1 1 41 41 LEU HB3 H 1 1.580 0.023 . 2 . . . A 116 LEU HB3 . 19050 1 473 . 1 1 41 41 LEU HG H 1 1.599 0.018 . 1 . . . A 116 LEU HG . 19050 1 474 . 1 1 41 41 LEU HD11 H 1 0.800 0.014 . 2 . . . A 116 LEU HD11 . 19050 1 475 . 1 1 41 41 LEU HD12 H 1 0.800 0.014 . 2 . . . A 116 LEU HD12 . 19050 1 476 . 1 1 41 41 LEU HD13 H 1 0.800 0.014 . 2 . . . A 116 LEU HD13 . 19050 1 477 . 1 1 41 41 LEU HD21 H 1 0.813 0.016 . 2 . . . A 116 LEU HD21 . 19050 1 478 . 1 1 41 41 LEU HD22 H 1 0.813 0.016 . 2 . . . A 116 LEU HD22 . 19050 1 479 . 1 1 41 41 LEU HD23 H 1 0.813 0.016 . 2 . . . A 116 LEU HD23 . 19050 1 480 . 1 1 41 41 LEU C C 13 177.972 0.009 . 1 . . . A 116 LEU C . 19050 1 481 . 1 1 41 41 LEU CA C 13 53.787 0.097 . 1 . . . A 116 LEU CA . 19050 1 482 . 1 1 41 41 LEU CB C 13 44.938 0.118 . 1 . . . A 116 LEU CB . 19050 1 483 . 1 1 41 41 LEU CG C 13 27.385 0.181 . 1 . . . A 116 LEU CG . 19050 1 484 . 1 1 41 41 LEU CD1 C 13 26.855 0.075 . 2 . . . A 116 LEU CD1 . 19050 1 485 . 1 1 41 41 LEU CD2 C 13 23.925 0.077 . 2 . . . A 116 LEU CD2 . 19050 1 486 . 1 1 41 41 LEU N N 15 125.733 0.034 . 1 . . . A 116 LEU N . 19050 1 487 . 1 1 42 42 THR H H 1 9.298 0.006 . 1 . . . A 117 THR H . 19050 1 488 . 1 1 42 42 THR HA H 1 4.460 0.011 . 1 . . . A 117 THR HA . 19050 1 489 . 1 1 42 42 THR HB H 1 4.714 0.012 . 1 . . . A 117 THR HB . 19050 1 490 . 1 1 42 42 THR HG21 H 1 1.318 0.012 . 1 . . . A 117 THR HG21 . 19050 1 491 . 1 1 42 42 THR HG22 H 1 1.318 0.012 . 1 . . . A 117 THR HG22 . 19050 1 492 . 1 1 42 42 THR HG23 H 1 1.318 0.012 . 1 . . . A 117 THR HG23 . 19050 1 493 . 1 1 42 42 THR C C 13 175.475 0.013 . 1 . . . A 117 THR C . 19050 1 494 . 1 1 42 42 THR CA C 13 60.638 0.128 . 1 . . . A 117 THR CA . 19050 1 495 . 1 1 42 42 THR CB C 13 70.812 0.045 . 1 . . . A 117 THR CB . 19050 1 496 . 1 1 42 42 THR CG2 C 13 21.747 0.171 . 1 . . . A 117 THR CG2 . 19050 1 497 . 1 1 42 42 THR N N 15 114.717 0.033 . 1 . . . A 117 THR N . 19050 1 498 . 1 1 43 43 ASP H H 1 8.872 0.004 . 1 . . . A 118 ASP H . 19050 1 499 . 1 1 43 43 ASP HA H 1 4.238 0.012 . 1 . . . A 118 ASP HA . 19050 1 500 . 1 1 43 43 ASP HB2 H 1 2.779 0.020 . 2 . . . A 118 ASP HB2 . 19050 1 501 . 1 1 43 43 ASP HB3 H 1 2.620 0.011 . 2 . . . A 118 ASP HB3 . 19050 1 502 . 1 1 43 43 ASP C C 13 178.667 0.008 . 1 . . . A 118 ASP C . 19050 1 503 . 1 1 43 43 ASP CA C 13 58.058 0.080 . 1 . . . A 118 ASP CA . 19050 1 504 . 1 1 43 43 ASP CB C 13 39.564 0.119 . 1 . . . A 118 ASP CB . 19050 1 505 . 1 1 43 43 ASP N N 15 120.800 0.026 . 1 . . . A 118 ASP N . 19050 1 506 . 1 1 44 44 ASP H H 1 8.311 0.005 . 1 . . . A 119 ASP H . 19050 1 507 . 1 1 44 44 ASP HA H 1 4.418 0.008 . 1 . . . A 119 ASP HA . 19050 1 508 . 1 1 44 44 ASP HB2 H 1 2.546 0.008 . 2 . . . A 119 ASP HB2 . 19050 1 509 . 1 1 44 44 ASP HB3 H 1 2.660 0.010 . 2 . . . A 119 ASP HB3 . 19050 1 510 . 1 1 44 44 ASP C C 13 178.662 0.025 . 1 . . . A 119 ASP C . 19050 1 511 . 1 1 44 44 ASP CA C 13 57.108 0.089 . 1 . . . A 119 ASP CA . 19050 1 512 . 1 1 44 44 ASP CB C 13 40.316 0.057 . 1 . . . A 119 ASP CB . 19050 1 513 . 1 1 44 44 ASP N N 15 118.011 0.022 . 1 . . . A 119 ASP N . 19050 1 514 . 1 1 45 45 GLU H H 1 7.711 0.004 . 1 . . . A 120 GLU H . 19050 1 515 . 1 1 45 45 GLU HA H 1 3.996 0.011 . 1 . . . A 120 GLU HA . 19050 1 516 . 1 1 45 45 GLU HB2 H 1 1.909 0.016 . 2 . . . A 120 GLU HB2 . 19050 1 517 . 1 1 45 45 GLU HB3 H 1 2.423 0.021 . 2 . . . A 120 GLU HB3 . 19050 1 518 . 1 1 45 45 GLU HG2 H 1 2.248 0.017 . 2 . . . A 120 GLU HG2 . 19050 1 519 . 1 1 45 45 GLU HG3 H 1 2.391 0.013 . 2 . . . A 120 GLU HG3 . 19050 1 520 . 1 1 45 45 GLU C C 13 179.894 0.016 . 1 . . . A 120 GLU C . 19050 1 521 . 1 1 45 45 GLU CA C 13 59.272 0.104 . 1 . . . A 120 GLU CA . 19050 1 522 . 1 1 45 45 GLU CB C 13 30.355 0.069 . 1 . . . A 120 GLU CB . 19050 1 523 . 1 1 45 45 GLU CG C 13 37.867 0.039 . 1 . . . A 120 GLU CG . 19050 1 524 . 1 1 45 45 GLU N N 15 120.926 0.033 . 1 . . . A 120 GLU N . 19050 1 525 . 1 1 46 46 VAL H H 1 8.093 0.005 . 1 . . . A 121 VAL H . 19050 1 526 . 1 1 46 46 VAL HA H 1 3.597 0.009 . 1 . . . A 121 VAL HA . 19050 1 527 . 1 1 46 46 VAL HB H 1 2.240 0.013 . 1 . . . A 121 VAL HB . 19050 1 528 . 1 1 46 46 VAL HG11 H 1 1.042 0.010 . 2 . . . A 121 VAL HG11 . 19050 1 529 . 1 1 46 46 VAL HG12 H 1 1.042 0.010 . 2 . . . A 121 VAL HG12 . 19050 1 530 . 1 1 46 46 VAL HG13 H 1 1.042 0.010 . 2 . . . A 121 VAL HG13 . 19050 1 531 . 1 1 46 46 VAL HG21 H 1 0.972 0.011 . 2 . . . A 121 VAL HG21 . 19050 1 532 . 1 1 46 46 VAL HG22 H 1 0.972 0.011 . 2 . . . A 121 VAL HG22 . 19050 1 533 . 1 1 46 46 VAL HG23 H 1 0.972 0.011 . 2 . . . A 121 VAL HG23 . 19050 1 534 . 1 1 46 46 VAL C C 13 177.225 0.012 . 1 . . . A 121 VAL C . 19050 1 535 . 1 1 46 46 VAL CA C 13 66.936 0.090 . 1 . . . A 121 VAL CA . 19050 1 536 . 1 1 46 46 VAL CB C 13 31.327 0.110 . 1 . . . A 121 VAL CB . 19050 1 537 . 1 1 46 46 VAL CG1 C 13 22.242 0.069 . 2 . . . A 121 VAL CG1 . 19050 1 538 . 1 1 46 46 VAL CG2 C 13 23.901 0.045 . 2 . . . A 121 VAL CG2 . 19050 1 539 . 1 1 46 46 VAL N N 15 120.807 0.042 . 1 . . . A 121 VAL N . 19050 1 540 . 1 1 47 47 ASP H H 1 7.992 0.005 . 1 . . . A 122 ASP H . 19050 1 541 . 1 1 47 47 ASP HA H 1 4.326 0.010 . 1 . . . A 122 ASP HA . 19050 1 542 . 1 1 47 47 ASP HB2 H 1 2.640 0.018 . 2 . . . A 122 ASP HB2 . 19050 1 543 . 1 1 47 47 ASP HB3 H 1 2.811 0.024 . 2 . . . A 122 ASP HB3 . 19050 1 544 . 1 1 47 47 ASP C C 13 179.112 0.001 . 1 . . . A 122 ASP C . 19050 1 545 . 1 1 47 47 ASP CA C 13 57.613 0.122 . 1 . . . A 122 ASP CA . 19050 1 546 . 1 1 47 47 ASP CB C 13 40.525 0.082 . 1 . . . A 122 ASP CB . 19050 1 547 . 1 1 47 47 ASP N N 15 119.435 0.052 . 1 . . . A 122 ASP N . 19050 1 548 . 1 1 48 48 GLU H H 1 7.959 0.006 . 1 . . . A 123 GLU H . 19050 1 549 . 1 1 48 48 GLU HA H 1 4.000 0.011 . 1 . . . A 123 GLU HA . 19050 1 550 . 1 1 48 48 GLU HB2 H 1 1.995 0.027 . 1 . . . A 123 GLU HB2 . 19050 1 551 . 1 1 48 48 GLU HG3 H 1 2.296 0.011 . 1 . . . A 123 GLU HG3 . 19050 1 552 . 1 1 48 48 GLU C C 13 177.979 0.010 . 1 . . . A 123 GLU C . 19050 1 553 . 1 1 48 48 GLU CA C 13 59.242 0.118 . 1 . . . A 123 GLU CA . 19050 1 554 . 1 1 48 48 GLU CB C 13 29.471 0.023 . 1 . . . A 123 GLU CB . 19050 1 555 . 1 1 48 48 GLU CG C 13 36.019 0.131 . 1 . . . A 123 GLU CG . 19050 1 556 . 1 1 48 48 GLU N N 15 119.496 0.056 . 1 . . . A 123 GLU N . 19050 1 557 . 1 1 49 49 MET H H 1 7.801 0.005 . 1 . . . A 124 MET H . 19050 1 558 . 1 1 49 49 MET HA H 1 4.012 0.016 . 1 . . . A 124 MET HA . 19050 1 559 . 1 1 49 49 MET HB2 H 1 1.970 0.017 . 2 . . . A 124 MET HB2 . 19050 1 560 . 1 1 49 49 MET HB3 H 1 2.287 0.013 . 2 . . . A 124 MET HB3 . 19050 1 561 . 1 1 49 49 MET HG2 H 1 2.365 0.016 . 2 . . . A 124 MET HG2 . 19050 1 562 . 1 1 49 49 MET HG3 H 1 2.747 0.017 . 2 . . . A 124 MET HG3 . 19050 1 563 . 1 1 49 49 MET HE1 H 1 1.979 0.010 . 1 . . . A 124 MET HE1 . 19050 1 564 . 1 1 49 49 MET HE2 H 1 1.979 0.010 . 1 . . . A 124 MET HE2 . 19050 1 565 . 1 1 49 49 MET HE3 H 1 1.979 0.010 . 1 . . . A 124 MET HE3 . 19050 1 566 . 1 1 49 49 MET C C 13 178.784 0.004 . 1 . . . A 124 MET C . 19050 1 567 . 1 1 49 49 MET CA C 13 59.374 0.156 . 1 . . . A 124 MET CA . 19050 1 568 . 1 1 49 49 MET CB C 13 33.196 0.089 . 1 . . . A 124 MET CB . 19050 1 569 . 1 1 49 49 MET CG C 13 32.194 0.077 . 1 . . . A 124 MET CG . 19050 1 570 . 1 1 49 49 MET CE C 13 17.070 0.052 . 1 . . . A 124 MET CE . 19050 1 571 . 1 1 49 49 MET N N 15 119.608 0.023 . 1 . . . A 124 MET N . 19050 1 572 . 1 1 50 50 ILE H H 1 7.928 0.004 . 1 . . . A 125 ILE H . 19050 1 573 . 1 1 50 50 ILE HA H 1 3.492 0.014 . 1 . . . A 125 ILE HA . 19050 1 574 . 1 1 50 50 ILE HB H 1 2.059 0.012 . 1 . . . A 125 ILE HB . 19050 1 575 . 1 1 50 50 ILE HG12 H 1 1.137 0.010 . 2 . . . A 125 ILE HG12 . 19050 1 576 . 1 1 50 50 ILE HG13 H 1 1.587 0.010 . 2 . . . A 125 ILE HG13 . 19050 1 577 . 1 1 50 50 ILE HG21 H 1 0.661 0.012 . 1 . . . A 125 ILE HG21 . 19050 1 578 . 1 1 50 50 ILE HG22 H 1 0.661 0.012 . 1 . . . A 125 ILE HG22 . 19050 1 579 . 1 1 50 50 ILE HG23 H 1 0.661 0.012 . 1 . . . A 125 ILE HG23 . 19050 1 580 . 1 1 50 50 ILE HD11 H 1 0.686 0.019 . 1 . . . A 125 ILE HD11 . 19050 1 581 . 1 1 50 50 ILE HD12 H 1 0.686 0.019 . 1 . . . A 125 ILE HD12 . 19050 1 582 . 1 1 50 50 ILE HD13 H 1 0.686 0.019 . 1 . . . A 125 ILE HD13 . 19050 1 583 . 1 1 50 50 ILE C C 13 177.146 0.002 . 1 . . . A 125 ILE C . 19050 1 584 . 1 1 50 50 ILE CA C 13 64.399 0.099 . 1 . . . A 125 ILE CA . 19050 1 585 . 1 1 50 50 ILE CB C 13 36.555 0.092 . 1 . . . A 125 ILE CB . 19050 1 586 . 1 1 50 50 ILE CG1 C 13 28.410 0.087 . 1 . . . A 125 ILE CG1 . 19050 1 587 . 1 1 50 50 ILE CG2 C 13 16.225 0.076 . 1 . . . A 125 ILE CG2 . 19050 1 588 . 1 1 50 50 ILE CD1 C 13 11.084 0.128 . 1 . . . A 125 ILE CD1 . 19050 1 589 . 1 1 50 50 ILE N N 15 117.471 0.037 . 1 . . . A 125 ILE N . 19050 1 590 . 1 1 51 51 ARG H H 1 8.244 0.005 . 1 . . . A 126 ARG H . 19050 1 591 . 1 1 51 51 ARG HA H 1 3.998 0.010 . 1 . . . A 126 ARG HA . 19050 1 592 . 1 1 51 51 ARG HB2 H 1 1.909 0.017 . 1 . . . A 126 ARG HB2 . 19050 1 593 . 1 1 51 51 ARG HG2 H 1 1.648 0.026 . 2 . . . A 126 ARG HG2 . 19050 1 594 . 1 1 51 51 ARG HG3 H 1 1.772 0.020 . 2 . . . A 126 ARG HG3 . 19050 1 595 . 1 1 51 51 ARG HD3 H 1 3.213 0.011 . 1 . . . A 126 ARG HD3 . 19050 1 596 . 1 1 51 51 ARG HE H 1 7.517 0.001 . 1 . . . A 126 ARG HE . 19050 1 597 . 1 1 51 51 ARG C C 13 179.310 0.022 . 1 . . . A 126 ARG C . 19050 1 598 . 1 1 51 51 ARG CA C 13 59.669 0.160 . 1 . . . A 126 ARG CA . 19050 1 599 . 1 1 51 51 ARG CB C 13 30.240 0.106 . 1 . . . A 126 ARG CB . 19050 1 600 . 1 1 51 51 ARG CG C 13 27.851 0.168 . 1 . . . A 126 ARG CG . 19050 1 601 . 1 1 51 51 ARG CD C 13 43.253 0.115 . 1 . . . A 126 ARG CD . 19050 1 602 . 1 1 51 51 ARG N N 15 118.017 0.068 . 1 . . . A 126 ARG N . 19050 1 603 . 1 1 51 51 ARG NE N 15 84.360 0.013 . 1 . . . A 126 ARG NE . 19050 1 604 . 1 1 52 52 GLU H H 1 7.891 0.006 . 1 . . . A 127 GLU H . 19050 1 605 . 1 1 52 52 GLU HA H 1 3.995 0.011 . 1 . . . A 127 GLU HA . 19050 1 606 . 1 1 52 52 GLU HB2 H 1 2.063 0.017 . 1 . . . A 127 GLU HB2 . 19050 1 607 . 1 1 52 52 GLU HG2 H 1 2.438 0.011 . 2 . . . A 127 GLU HG2 . 19050 1 608 . 1 1 52 52 GLU HG3 H 1 2.272 0.024 . 2 . . . A 127 GLU HG3 . 19050 1 609 . 1 1 52 52 GLU C C 13 177.219 0.001 . 1 . . . A 127 GLU C . 19050 1 610 . 1 1 52 52 GLU CA C 13 58.582 0.177 . 1 . . . A 127 GLU CA . 19050 1 611 . 1 1 52 52 GLU CB C 13 29.841 0.104 . 1 . . . A 127 GLU CB . 19050 1 612 . 1 1 52 52 GLU CG C 13 36.562 0.107 . 1 . . . A 127 GLU CG . 19050 1 613 . 1 1 52 52 GLU N N 15 115.902 0.041 . 1 . . . A 127 GLU N . 19050 1 614 . 1 1 53 53 ALA H H 1 7.298 0.006 . 1 . . . A 128 ALA H . 19050 1 615 . 1 1 53 53 ALA HA H 1 4.450 0.006 . 1 . . . A 128 ALA HA . 19050 1 616 . 1 1 53 53 ALA HB1 H 1 1.423 0.015 . 1 . . . A 128 ALA HB1 . 19050 1 617 . 1 1 53 53 ALA HB2 H 1 1.423 0.015 . 1 . . . A 128 ALA HB2 . 19050 1 618 . 1 1 53 53 ALA HB3 H 1 1.423 0.015 . 1 . . . A 128 ALA HB3 . 19050 1 619 . 1 1 53 53 ALA C C 13 177.888 0.014 . 1 . . . A 128 ALA C . 19050 1 620 . 1 1 53 53 ALA CA C 13 51.921 0.102 . 1 . . . A 128 ALA CA . 19050 1 621 . 1 1 53 53 ALA CB C 13 21.491 0.080 . 1 . . . A 128 ALA CB . 19050 1 622 . 1 1 53 53 ALA N N 15 118.763 0.050 . 1 . . . A 128 ALA N . 19050 1 623 . 1 1 54 54 ASP H H 1 7.997 0.005 . 1 . . . A 129 ASP H . 19050 1 624 . 1 1 54 54 ASP HA H 1 4.455 0.012 . 1 . . . A 129 ASP HA . 19050 1 625 . 1 1 54 54 ASP HB2 H 1 2.539 0.017 . 2 . . . A 129 ASP HB2 . 19050 1 626 . 1 1 54 54 ASP HB3 H 1 2.830 0.019 . 2 . . . A 129 ASP HB3 . 19050 1 627 . 1 1 54 54 ASP C C 13 175.969 0.017 . 1 . . . A 129 ASP C . 19050 1 628 . 1 1 54 54 ASP CA C 13 54.259 0.142 . 1 . . . A 129 ASP CA . 19050 1 629 . 1 1 54 54 ASP CB C 13 40.432 0.081 . 1 . . . A 129 ASP CB . 19050 1 630 . 1 1 54 54 ASP N N 15 117.823 0.015 . 1 . . . A 129 ASP N . 19050 1 631 . 1 1 55 55 ILE H H 1 8.408 0.007 . 1 . . . A 130 ILE H . 19050 1 632 . 1 1 55 55 ILE HA H 1 3.976 0.010 . 1 . . . A 130 ILE HA . 19050 1 633 . 1 1 55 55 ILE HB H 1 2.034 0.012 . 1 . . . A 130 ILE HB . 19050 1 634 . 1 1 55 55 ILE HG12 H 1 1.382 0.016 . 2 . . . A 130 ILE HG12 . 19050 1 635 . 1 1 55 55 ILE HG13 H 1 1.628 0.013 . 2 . . . A 130 ILE HG13 . 19050 1 636 . 1 1 55 55 ILE HG21 H 1 0.918 0.012 . 1 . . . A 130 ILE HG21 . 19050 1 637 . 1 1 55 55 ILE HG22 H 1 0.918 0.012 . 1 . . . A 130 ILE HG22 . 19050 1 638 . 1 1 55 55 ILE HG23 H 1 0.918 0.012 . 1 . . . A 130 ILE HG23 . 19050 1 639 . 1 1 55 55 ILE HD11 H 1 0.854 0.014 . 1 . . . A 130 ILE HD11 . 19050 1 640 . 1 1 55 55 ILE HD12 H 1 0.854 0.014 . 1 . . . A 130 ILE HD12 . 19050 1 641 . 1 1 55 55 ILE HD13 H 1 0.854 0.014 . 1 . . . A 130 ILE HD13 . 19050 1 642 . 1 1 55 55 ILE C C 13 177.720 0.008 . 1 . . . A 130 ILE C . 19050 1 643 . 1 1 55 55 ILE CA C 13 62.755 0.087 . 1 . . . A 130 ILE CA . 19050 1 644 . 1 1 55 55 ILE CB C 13 38.248 0.116 . 1 . . . A 130 ILE CB . 19050 1 645 . 1 1 55 55 ILE CG1 C 13 27.627 0.130 . 1 . . . A 130 ILE CG1 . 19050 1 646 . 1 1 55 55 ILE CG2 C 13 17.164 0.058 . 1 . . . A 130 ILE CG2 . 19050 1 647 . 1 1 55 55 ILE CD1 C 13 11.666 0.085 . 1 . . . A 130 ILE CD1 . 19050 1 648 . 1 1 55 55 ILE N N 15 127.724 0.029 . 1 . . . A 130 ILE N . 19050 1 649 . 1 1 56 56 ASP H H 1 8.224 0.005 . 1 . . . A 131 ASP H . 19050 1 650 . 1 1 56 56 ASP HA H 1 4.542 0.007 . 1 . . . A 131 ASP HA . 19050 1 651 . 1 1 56 56 ASP HB2 H 1 2.619 0.014 . 2 . . . A 131 ASP HB2 . 19050 1 652 . 1 1 56 56 ASP HB3 H 1 3.061 0.013 . 2 . . . A 131 ASP HB3 . 19050 1 653 . 1 1 56 56 ASP C C 13 178.247 0.006 . 1 . . . A 131 ASP C . 19050 1 654 . 1 1 56 56 ASP CA C 13 53.739 0.114 . 1 . . . A 131 ASP CA . 19050 1 655 . 1 1 56 56 ASP CB C 13 39.838 0.108 . 1 . . . A 131 ASP CB . 19050 1 656 . 1 1 56 56 ASP N N 15 116.998 0.045 . 1 . . . A 131 ASP N . 19050 1 657 . 1 1 57 57 GLY H H 1 7.585 0.005 . 1 . . . A 132 GLY H . 19050 1 658 . 1 1 57 57 GLY HA2 H 1 3.996 0.017 . 2 . . . A 132 GLY HA2 . 19050 1 659 . 1 1 57 57 GLY HA3 H 1 3.834 0.015 . 2 . . . A 132 GLY HA3 . 19050 1 660 . 1 1 57 57 GLY C C 13 175.298 0.019 . 1 . . . A 132 GLY C . 19050 1 661 . 1 1 57 57 GLY CA C 13 47.360 0.122 . 1 . . . A 132 GLY CA . 19050 1 662 . 1 1 57 57 GLY N N 15 108.645 0.029 . 1 . . . A 132 GLY N . 19050 1 663 . 1 1 58 58 ASP H H 1 8.371 0.009 . 1 . . . A 133 ASP H . 19050 1 664 . 1 1 58 58 ASP HA H 1 4.613 0.012 . 1 . . . A 133 ASP HA . 19050 1 665 . 1 1 58 58 ASP HB2 H 1 2.522 0.013 . 2 . . . A 133 ASP HB2 . 19050 1 666 . 1 1 58 58 ASP HB3 H 1 3.114 0.011 . 2 . . . A 133 ASP HB3 . 19050 1 667 . 1 1 58 58 ASP C C 13 179.110 0.010 . 1 . . . A 133 ASP C . 19050 1 668 . 1 1 58 58 ASP CA C 13 53.569 0.111 . 1 . . . A 133 ASP CA . 19050 1 669 . 1 1 58 58 ASP CB C 13 40.360 0.173 . 1 . . . A 133 ASP CB . 19050 1 670 . 1 1 58 58 ASP N N 15 120.990 0.035 . 1 . . . A 133 ASP N . 19050 1 671 . 1 1 59 59 GLY H H 1 10.474 0.007 . 1 . . . A 134 GLY H . 19050 1 672 . 1 1 59 59 GLY HA2 H 1 3.995 0.009 . 2 . . . A 134 GLY HA2 . 19050 1 673 . 1 1 59 59 GLY HA3 H 1 3.404 0.009 . 2 . . . A 134 GLY HA3 . 19050 1 674 . 1 1 59 59 GLY C C 13 172.177 0.016 . 1 . . . A 134 GLY C . 19050 1 675 . 1 1 59 59 GLY CA C 13 46.050 0.116 . 1 . . . A 134 GLY CA . 19050 1 676 . 1 1 59 59 GLY N N 15 115.313 0.022 . 1 . . . A 134 GLY N . 19050 1 677 . 1 1 60 60 HIS H H 1 8.299 0.007 . 1 . . . A 135 HIS H . 19050 1 678 . 1 1 60 60 HIS HA H 1 5.049 0.007 . 1 . . . A 135 HIS HA . 19050 1 679 . 1 1 60 60 HIS HB2 H 1 2.689 0.018 . 2 . . . A 135 HIS HB2 . 19050 1 680 . 1 1 60 60 HIS HB3 H 1 2.873 0.019 . 2 . . . A 135 HIS HB3 . 19050 1 681 . 1 1 60 60 HIS HD2 H 1 6.331 0.013 . 1 . . . A 135 HIS HD2 . 19050 1 682 . 1 1 60 60 HIS C C 13 174.742 0.023 . 1 . . . A 135 HIS C . 19050 1 683 . 1 1 60 60 HIS CA C 13 54.109 0.093 . 1 . . . A 135 HIS CA . 19050 1 684 . 1 1 60 60 HIS CB C 13 34.766 0.077 . 1 . . . A 135 HIS CB . 19050 1 685 . 1 1 60 60 HIS N N 15 116.095 0.028 . 1 . . . A 135 HIS N . 19050 1 686 . 1 1 61 61 ILE H H 1 9.286 0.009 . 1 . . . A 136 ILE H . 19050 1 687 . 1 1 61 61 ILE HA H 1 5.168 0.008 . 1 . . . A 136 ILE HA . 19050 1 688 . 1 1 61 61 ILE HB H 1 2.078 0.012 . 1 . . . A 136 ILE HB . 19050 1 689 . 1 1 61 61 ILE HG12 H 1 0.938 0.017 . 2 . . . A 136 ILE HG12 . 19050 1 690 . 1 1 61 61 ILE HG13 H 1 1.546 0.016 . 2 . . . A 136 ILE HG13 . 19050 1 691 . 1 1 61 61 ILE HG21 H 1 1.258 0.012 . 1 . . . A 136 ILE HG21 . 19050 1 692 . 1 1 61 61 ILE HG22 H 1 1.258 0.012 . 1 . . . A 136 ILE HG22 . 19050 1 693 . 1 1 61 61 ILE HG23 H 1 1.258 0.012 . 1 . . . A 136 ILE HG23 . 19050 1 694 . 1 1 61 61 ILE HD11 H 1 0.749 0.013 . 1 . . . A 136 ILE HD11 . 19050 1 695 . 1 1 61 61 ILE HD12 H 1 0.749 0.013 . 1 . . . A 136 ILE HD12 . 19050 1 696 . 1 1 61 61 ILE HD13 H 1 0.749 0.013 . 1 . . . A 136 ILE HD13 . 19050 1 697 . 1 1 61 61 ILE C C 13 175.993 0.024 . 1 . . . A 136 ILE C . 19050 1 698 . 1 1 61 61 ILE CA C 13 59.892 0.128 . 1 . . . A 136 ILE CA . 19050 1 699 . 1 1 61 61 ILE CB C 13 39.390 0.096 . 1 . . . A 136 ILE CB . 19050 1 700 . 1 1 61 61 ILE CG1 C 13 26.935 0.069 . 1 . . . A 136 ILE CG1 . 19050 1 701 . 1 1 61 61 ILE CG2 C 13 18.145 0.064 . 1 . . . A 136 ILE CG2 . 19050 1 702 . 1 1 61 61 ILE CD1 C 13 12.863 0.065 . 1 . . . A 136 ILE CD1 . 19050 1 703 . 1 1 61 61 ILE N N 15 124.511 0.044 . 1 . . . A 136 ILE N . 19050 1 704 . 1 1 62 62 ASN H H 1 9.478 0.006 . 1 . . . A 137 ASN H . 19050 1 705 . 1 1 62 62 ASN HA H 1 5.436 0.012 . 1 . . . A 137 ASN HA . 19050 1 706 . 1 1 62 62 ASN HB2 H 1 3.212 0.014 . 2 . . . A 137 ASN HB2 . 19050 1 707 . 1 1 62 62 ASN HB3 H 1 3.404 0.010 . 2 . . . A 137 ASN HB3 . 19050 1 708 . 1 1 62 62 ASN HD21 H 1 6.693 0.003 . 1 . . . A 137 ASN HD21 . 19050 1 709 . 1 1 62 62 ASN HD22 H 1 7.241 0.020 . 1 . . . A 137 ASN HD22 . 19050 1 710 . 1 1 62 62 ASN C C 13 175.376 0.004 . 1 . . . A 137 ASN C . 19050 1 711 . 1 1 62 62 ASN CA C 13 51.057 0.151 . 1 . . . A 137 ASN CA . 19050 1 712 . 1 1 62 62 ASN CB C 13 37.942 0.083 . 1 . . . A 137 ASN CB . 19050 1 713 . 1 1 62 62 ASN N N 15 129.252 0.029 . 1 . . . A 137 ASN N . 19050 1 714 . 1 1 62 62 ASN ND2 N 15 107.618 0.207 . 1 . . . A 137 ASN ND2 . 19050 1 715 . 1 1 63 63 TYR H H 1 8.673 0.004 . 1 . . . A 138 TYR H . 19050 1 716 . 1 1 63 63 TYR HA H 1 3.507 0.008 . 1 . . . A 138 TYR HA . 19050 1 717 . 1 1 63 63 TYR HB2 H 1 2.006 0.015 . 2 . . . A 138 TYR HB2 . 19050 1 718 . 1 1 63 63 TYR HB3 H 1 2.402 0.017 . 2 . . . A 138 TYR HB3 . 19050 1 719 . 1 1 63 63 TYR HD1 H 1 6.448 0.006 . 3 . . . A 138 TYR HD1 . 19050 1 720 . 1 1 63 63 TYR HD2 H 1 6.448 0.006 . 3 . . . A 138 TYR HD2 . 19050 1 721 . 1 1 63 63 TYR HE1 H 1 6.527 0.005 . 3 . . . A 138 TYR HE1 . 19050 1 722 . 1 1 63 63 TYR HE2 H 1 6.527 0.005 . 3 . . . A 138 TYR HE2 . 19050 1 723 . 1 1 63 63 TYR C C 13 176.123 0.011 . 1 . . . A 138 TYR C . 19050 1 724 . 1 1 63 63 TYR CA C 13 62.760 0.090 . 1 . . . A 138 TYR CA . 19050 1 725 . 1 1 63 63 TYR CB C 13 37.477 0.090 . 1 . . . A 138 TYR CB . 19050 1 726 . 1 1 63 63 TYR CD1 C 13 132.261 0.015 . 3 . . . A 138 TYR CD1 . 19050 1 727 . 1 1 63 63 TYR CD2 C 13 132.261 0.015 . 3 . . . A 138 TYR CD2 . 19050 1 728 . 1 1 63 63 TYR CE1 C 13 118.095 0.018 . 3 . . . A 138 TYR CE1 . 19050 1 729 . 1 1 63 63 TYR CE2 C 13 118.095 0.018 . 3 . . . A 138 TYR CE2 . 19050 1 730 . 1 1 63 63 TYR N N 15 119.148 0.030 . 1 . . . A 138 TYR N . 19050 1 731 . 1 1 64 64 GLU H H 1 8.079 0.005 . 1 . . . A 139 GLU H . 19050 1 732 . 1 1 64 64 GLU HA H 1 3.662 0.011 . 1 . . . A 139 GLU HA . 19050 1 733 . 1 1 64 64 GLU HB2 H 1 1.990 0.017 . 2 . . . A 139 GLU HB2 . 19050 1 734 . 1 1 64 64 GLU HB3 H 1 2.085 0.019 . 2 . . . A 139 GLU HB3 . 19050 1 735 . 1 1 64 64 GLU HG2 H 1 2.312 0.010 . 2 . . . A 139 GLU HG2 . 19050 1 736 . 1 1 64 64 GLU HG3 H 1 2.302 0.012 . 2 . . . A 139 GLU HG3 . 19050 1 737 . 1 1 64 64 GLU C C 13 180.434 0.012 . 1 . . . A 139 GLU C . 19050 1 738 . 1 1 64 64 GLU CA C 13 60.112 0.129 . 1 . . . A 139 GLU CA . 19050 1 739 . 1 1 64 64 GLU CB C 13 29.048 0.085 . 1 . . . A 139 GLU CB . 19050 1 740 . 1 1 64 64 GLU CG C 13 36.730 0.125 . 1 . . . A 139 GLU CG . 19050 1 741 . 1 1 64 64 GLU N N 15 118.718 0.024 . 1 . . . A 139 GLU N . 19050 1 742 . 1 1 65 65 GLU H H 1 8.814 0.005 . 1 . . . A 140 GLU H . 19050 1 743 . 1 1 65 65 GLU HA H 1 3.994 0.014 . 1 . . . A 140 GLU HA . 19050 1 744 . 1 1 65 65 GLU HB2 H 1 2.107 0.029 . 2 . . . A 140 GLU HB2 . 19050 1 745 . 1 1 65 65 GLU HB3 H 1 2.590 0.019 . 2 . . . A 140 GLU HB3 . 19050 1 746 . 1 1 65 65 GLU HG2 H 1 2.448 0.013 . 2 . . . A 140 GLU HG2 . 19050 1 747 . 1 1 65 65 GLU HG3 H 1 2.839 0.014 . 2 . . . A 140 GLU HG3 . 19050 1 748 . 1 1 65 65 GLU C C 13 179.295 0.010 . 1 . . . A 140 GLU C . 19050 1 749 . 1 1 65 65 GLU CA C 13 58.304 0.108 . 1 . . . A 140 GLU CA . 19050 1 750 . 1 1 65 65 GLU CB C 13 29.903 0.173 . 1 . . . A 140 GLU CB . 19050 1 751 . 1 1 65 65 GLU CG C 13 36.861 0.073 . 1 . . . A 140 GLU CG . 19050 1 752 . 1 1 65 65 GLU N N 15 119.561 0.054 . 1 . . . A 140 GLU N . 19050 1 753 . 1 1 66 66 PHE H H 1 8.944 0.011 . 1 . . . A 141 PHE H . 19050 1 754 . 1 1 66 66 PHE HA H 1 3.968 0.015 . 1 . . . A 141 PHE HA . 19050 1 755 . 1 1 66 66 PHE HB2 H 1 3.233 0.015 . 2 . . . A 141 PHE HB2 . 19050 1 756 . 1 1 66 66 PHE HB3 H 1 3.499 0.011 . 2 . . . A 141 PHE HB3 . 19050 1 757 . 1 1 66 66 PHE HD1 H 1 6.914 0.016 . 3 . . . A 141 PHE HD1 . 19050 1 758 . 1 1 66 66 PHE HD2 H 1 6.914 0.016 . 3 . . . A 141 PHE HD2 . 19050 1 759 . 1 1 66 66 PHE HE1 H 1 7.043 0.013 . 3 . . . A 141 PHE HE1 . 19050 1 760 . 1 1 66 66 PHE HE2 H 1 7.043 0.013 . 3 . . . A 141 PHE HE2 . 19050 1 761 . 1 1 66 66 PHE HZ H 1 6.636 0.006 . 1 . . . A 141 PHE HZ . 19050 1 762 . 1 1 66 66 PHE C C 13 176.525 0.008 . 1 . . . A 141 PHE C . 19050 1 763 . 1 1 66 66 PHE CA C 13 61.505 0.082 . 1 . . . A 141 PHE CA . 19050 1 764 . 1 1 66 66 PHE CB C 13 39.916 0.082 . 1 . . . A 141 PHE CB . 19050 1 765 . 1 1 66 66 PHE CD1 C 13 131.744 0.044 . 3 . . . A 141 PHE CD1 . 19050 1 766 . 1 1 66 66 PHE CD2 C 13 131.744 0.044 . 3 . . . A 141 PHE CD2 . 19050 1 767 . 1 1 66 66 PHE CE1 C 13 131.256 0.076 . 3 . . . A 141 PHE CE1 . 19050 1 768 . 1 1 66 66 PHE CE2 C 13 131.256 0.076 . 3 . . . A 141 PHE CE2 . 19050 1 769 . 1 1 66 66 PHE CZ C 13 131.570 0.036 . 1 . . . A 141 PHE CZ . 19050 1 770 . 1 1 66 66 PHE N N 15 124.341 0.044 . 1 . . . A 141 PHE N . 19050 1 771 . 1 1 67 67 VAL H H 1 8.525 0.009 . 1 . . . A 142 VAL H . 19050 1 772 . 1 1 67 67 VAL HA H 1 3.096 0.011 . 1 . . . A 142 VAL HA . 19050 1 773 . 1 1 67 67 VAL HB H 1 1.817 0.018 . 1 . . . A 142 VAL HB . 19050 1 774 . 1 1 67 67 VAL HG11 H 1 0.521 0.012 . 2 . . . A 142 VAL HG11 . 19050 1 775 . 1 1 67 67 VAL HG12 H 1 0.521 0.012 . 2 . . . A 142 VAL HG12 . 19050 1 776 . 1 1 67 67 VAL HG13 H 1 0.521 0.012 . 2 . . . A 142 VAL HG13 . 19050 1 777 . 1 1 67 67 VAL HG21 H 1 0.744 0.012 . 2 . . . A 142 VAL HG21 . 19050 1 778 . 1 1 67 67 VAL HG22 H 1 0.744 0.012 . 2 . . . A 142 VAL HG22 . 19050 1 779 . 1 1 67 67 VAL HG23 H 1 0.744 0.012 . 2 . . . A 142 VAL HG23 . 19050 1 780 . 1 1 67 67 VAL C C 13 177.697 0.016 . 1 . . . A 142 VAL C . 19050 1 781 . 1 1 67 67 VAL CA C 13 67.281 0.079 . 1 . . . A 142 VAL CA . 19050 1 782 . 1 1 67 67 VAL CB C 13 31.595 0.102 . 1 . . . A 142 VAL CB . 19050 1 783 . 1 1 67 67 VAL CG1 C 13 22.873 0.052 . 2 . . . A 142 VAL CG1 . 19050 1 784 . 1 1 67 67 VAL CG2 C 13 21.230 0.052 . 2 . . . A 142 VAL CG2 . 19050 1 785 . 1 1 67 67 VAL N N 15 119.442 0.036 . 1 . . . A 142 VAL N . 19050 1 786 . 1 1 68 68 ARG H H 1 7.318 0.009 . 1 . . . A 143 ARG H . 19050 1 787 . 1 1 68 68 ARG HA H 1 3.910 0.013 . 1 . . . A 143 ARG HA . 19050 1 788 . 1 1 68 68 ARG HB2 H 1 1.851 0.023 . 1 . . . A 143 ARG HB2 . 19050 1 789 . 1 1 68 68 ARG HG2 H 1 1.567 0.018 . 1 . . . A 143 ARG HG2 . 19050 1 790 . 1 1 68 68 ARG HD3 H 1 3.210 0.012 . 1 . . . A 143 ARG HD3 . 19050 1 791 . 1 1 68 68 ARG HE H 1 7.393 0.009 . 1 . . . A 143 ARG HE . 19050 1 792 . 1 1 68 68 ARG C C 13 178.643 0.016 . 1 . . . A 143 ARG C . 19050 1 793 . 1 1 68 68 ARG CA C 13 58.981 0.092 . 1 . . . A 143 ARG CA . 19050 1 794 . 1 1 68 68 ARG CB C 13 29.859 0.124 . 1 . . . A 143 ARG CB . 19050 1 795 . 1 1 68 68 ARG CG C 13 27.398 0.122 . 1 . . . A 143 ARG CG . 19050 1 796 . 1 1 68 68 ARG CD C 13 43.185 0.082 . 1 . . . A 143 ARG CD . 19050 1 797 . 1 1 68 68 ARG N N 15 116.201 0.036 . 1 . . . A 143 ARG N . 19050 1 798 . 1 1 68 68 ARG NE N 15 84.543 0.021 . 1 . . . A 143 ARG NE . 19050 1 799 . 1 1 69 69 MET H H 1 7.563 0.006 . 1 . . . A 144 MET H . 19050 1 800 . 1 1 69 69 MET HA H 1 4.108 0.016 . 1 . . . A 144 MET HA . 19050 1 801 . 1 1 69 69 MET HB2 H 1 2.036 0.024 . 2 . . . A 144 MET HB2 . 19050 1 802 . 1 1 69 69 MET HB3 H 1 2.086 0.018 . 2 . . . A 144 MET HB3 . 19050 1 803 . 1 1 69 69 MET HG2 H 1 2.416 0.014 . 2 . . . A 144 MET HG2 . 19050 1 804 . 1 1 69 69 MET HG3 H 1 2.428 0.011 . 2 . . . A 144 MET HG3 . 19050 1 805 . 1 1 69 69 MET HE1 H 1 1.792 0.017 . 1 . . . A 144 MET HE1 . 19050 1 806 . 1 1 69 69 MET HE2 H 1 1.792 0.017 . 1 . . . A 144 MET HE2 . 19050 1 807 . 1 1 69 69 MET HE3 H 1 1.792 0.017 . 1 . . . A 144 MET HE3 . 19050 1 808 . 1 1 69 69 MET C C 13 177.259 0.010 . 1 . . . A 144 MET C . 19050 1 809 . 1 1 69 69 MET CA C 13 57.831 0.117 . 1 . . . A 144 MET CA . 19050 1 810 . 1 1 69 69 MET CB C 13 33.121 0.088 . 1 . . . A 144 MET CB . 19050 1 811 . 1 1 69 69 MET CG C 13 31.312 0.078 . 1 . . . A 144 MET CG . 19050 1 812 . 1 1 69 69 MET CE C 13 17.085 0.062 . 1 . . . A 144 MET CE . 19050 1 813 . 1 1 69 69 MET N N 15 117.446 0.052 . 1 . . . A 144 MET N . 19050 1 814 . 1 1 70 70 MET H H 1 7.684 0.006 . 1 . . . A 145 MET H . 19050 1 815 . 1 1 70 70 MET HA H 1 4.265 0.012 . 1 . . . A 145 MET HA . 19050 1 816 . 1 1 70 70 MET HB2 H 1 1.471 0.012 . 2 . . . A 145 MET HB2 . 19050 1 817 . 1 1 70 70 MET HB3 H 1 1.713 0.017 . 2 . . . A 145 MET HB3 . 19050 1 818 . 1 1 70 70 MET HE1 H 1 1.709 0.012 . 1 . . . A 145 MET HE1 . 19050 1 819 . 1 1 70 70 MET HE2 H 1 1.709 0.012 . 1 . . . A 145 MET HE2 . 19050 1 820 . 1 1 70 70 MET HE3 H 1 1.709 0.012 . 1 . . . A 145 MET HE3 . 19050 1 821 . 1 1 70 70 MET C C 13 177.751 0.006 . 1 . . . A 145 MET C . 19050 1 822 . 1 1 70 70 MET CA C 13 55.510 0.099 . 1 . . . A 145 MET CA . 19050 1 823 . 1 1 70 70 MET CB C 13 31.898 0.119 . 1 . . . A 145 MET CB . 19050 1 824 . 1 1 70 70 MET CE C 13 16.364 0.061 . 1 . . . A 145 MET CE . 19050 1 825 . 1 1 70 70 MET N N 15 116.143 0.035 . 1 . . . A 145 MET N . 19050 1 826 . 1 1 71 71 VAL H H 1 7.771 0.008 . 1 . . . A 146 VAL H . 19050 1 827 . 1 1 71 71 VAL HA H 1 4.257 0.014 . 1 . . . A 146 VAL HA . 19050 1 828 . 1 1 71 71 VAL HB H 1 2.211 0.013 . 1 . . . A 146 VAL HB . 19050 1 829 . 1 1 71 71 VAL HG11 H 1 0.895 0.015 . 2 . . . A 146 VAL HG11 . 19050 1 830 . 1 1 71 71 VAL HG12 H 1 0.895 0.015 . 2 . . . A 146 VAL HG12 . 19050 1 831 . 1 1 71 71 VAL HG13 H 1 0.895 0.015 . 2 . . . A 146 VAL HG13 . 19050 1 832 . 1 1 71 71 VAL HG21 H 1 0.894 0.012 . 2 . . . A 146 VAL HG21 . 19050 1 833 . 1 1 71 71 VAL HG22 H 1 0.894 0.012 . 2 . . . A 146 VAL HG22 . 19050 1 834 . 1 1 71 71 VAL HG23 H 1 0.894 0.012 . 2 . . . A 146 VAL HG23 . 19050 1 835 . 1 1 71 71 VAL C C 13 176.320 0.008 . 1 . . . A 146 VAL C . 19050 1 836 . 1 1 71 71 VAL CA C 13 61.800 0.110 . 1 . . . A 146 VAL CA . 19050 1 837 . 1 1 71 71 VAL CB C 13 32.293 0.085 . 1 . . . A 146 VAL CB . 19050 1 838 . 1 1 71 71 VAL CG1 C 13 19.933 0.153 . 2 . . . A 146 VAL CG1 . 19050 1 839 . 1 1 71 71 VAL CG2 C 13 20.862 0.057 . 2 . . . A 146 VAL CG2 . 19050 1 840 . 1 1 71 71 VAL N N 15 114.592 0.043 . 1 . . . A 146 VAL N . 19050 1 841 . 1 1 72 72 SER H H 1 7.725 0.007 . 1 . . . A 147 SER H . 19050 1 842 . 1 1 72 72 SER HA H 1 4.386 0.010 . 1 . . . A 147 SER HA . 19050 1 843 . 1 1 72 72 SER HB2 H 1 3.887 0.014 . 2 . . . A 147 SER HB2 . 19050 1 844 . 1 1 72 72 SER HB3 H 1 3.894 0.007 . 2 . . . A 147 SER HB3 . 19050 1 845 . 1 1 72 72 SER C C 13 173.437 0.006 . 1 . . . A 147 SER C . 19050 1 846 . 1 1 72 72 SER CA C 13 58.924 0.132 . 1 . . . A 147 SER CA . 19050 1 847 . 1 1 72 72 SER CB C 13 63.615 0.113 . 1 . . . A 147 SER CB . 19050 1 848 . 1 1 72 72 SER N N 15 118.964 0.044 . 1 . . . A 147 SER N . 19050 1 849 . 1 1 73 73 LYS H H 1 7.922 0.005 . 1 . . . A 148 LYS H . 19050 1 850 . 1 1 73 73 LYS HA H 1 4.186 0.007 . 1 . . . A 148 LYS HA . 19050 1 851 . 1 1 73 73 LYS HB2 H 1 1.697 0.012 . 2 . . . A 148 LYS HB2 . 19050 1 852 . 1 1 73 73 LYS HB3 H 1 1.828 0.008 . 2 . . . A 148 LYS HB3 . 19050 1 853 . 1 1 73 73 LYS HG3 H 1 1.388 0.010 . 1 . . . A 148 LYS HG3 . 19050 1 854 . 1 1 73 73 LYS HD2 H 1 1.659 0.011 . 1 . . . A 148 LYS HD2 . 19050 1 855 . 1 1 73 73 LYS HE3 H 1 2.969 0.009 . 1 . . . A 148 LYS HE3 . 19050 1 856 . 1 1 73 73 LYS C C 13 181.058 0.000 . 1 . . . A 148 LYS C . 19050 1 857 . 1 1 73 73 LYS CA C 13 57.365 0.130 . 1 . . . A 148 LYS CA . 19050 1 858 . 1 1 73 73 LYS CB C 13 33.795 0.127 . 1 . . . A 148 LYS CB . 19050 1 859 . 1 1 73 73 LYS CG C 13 24.524 0.162 . 1 . . . A 148 LYS CG . 19050 1 860 . 1 1 73 73 LYS CD C 13 28.932 0.142 . 1 . . . A 148 LYS CD . 19050 1 861 . 1 1 73 73 LYS CE C 13 41.977 0.083 . 1 . . . A 148 LYS CE . 19050 1 862 . 1 1 73 73 LYS N N 15 128.236 0.029 . 1 . . . A 148 LYS N . 19050 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19050 _Assigned_chem_shift_list.ID 2 _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 . _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 17 '2D 1H-1H doubly 12C,14N filtered NOESY' . . . 19050 2 18 '2D 1H-1H 12C,14N filtered TOCSY' . . . 19050 2 20 '2D 1H-1H 12C,14N filtered TOCSY' . . . 19050 2 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 . 2 2 4 4 GLN H H 1 8.683 0.003 . 1 . . . B 1904 GLN H . 19050 2 2 . 2 2 4 4 GLN HA H 1 4.234 0.013 . 1 . . . B 1904 GLN HA . 19050 2 3 . 2 2 4 4 GLN HB2 H 1 1.835 0.010 . 2 . . . B 1904 GLN HB2 . 19050 2 4 . 2 2 4 4 GLN HB3 H 1 1.741 0.010 . 2 . . . B 1904 GLN HB3 . 19050 2 5 . 2 2 5 5 GLU H H 1 8.567 0.005 . 1 . . . B 1905 GLU H . 19050 2 6 . 2 2 5 5 GLU HA H 1 4.183 0.007 . 1 . . . B 1905 GLU HA . 19050 2 7 . 2 2 5 5 GLU HB2 H 1 2.059 0.010 . 2 . . . B 1905 GLU HB2 . 19050 2 8 . 2 2 5 5 GLU HB3 H 1 2.007 0.011 . 2 . . . B 1905 GLU HB3 . 19050 2 9 . 2 2 5 5 GLU HG3 H 1 2.354 0.007 . 1 . . . B 1905 GLU HG3 . 19050 2 10 . 2 2 6 6 GLU H H 1 8.623 0.003 . 1 . . . B 1906 GLU H . 19050 2 11 . 2 2 6 6 GLU HA H 1 4.213 0.009 . 1 . . . B 1906 GLU HA . 19050 2 12 . 2 2 6 6 GLU HB2 H 1 2.049 0.009 . 2 . . . B 1906 GLU HB2 . 19050 2 13 . 2 2 6 6 GLU HB3 H 1 1.932 0.012 . 2 . . . B 1906 GLU HB3 . 19050 2 14 . 2 2 6 6 GLU HG3 H 1 2.242 0.006 . 1 . . . B 1906 GLU HG3 . 19050 2 15 . 2 2 7 7 VAL H H 1 8.112 0.004 . 1 . . . B 1907 VAL H . 19050 2 16 . 2 2 7 7 VAL HA H 1 4.153 0.006 . 1 . . . B 1907 VAL HA . 19050 2 17 . 2 2 7 7 VAL HB H 1 2.305 0.005 . 1 . . . B 1907 VAL HB . 19050 2 18 . 2 2 7 7 VAL HG21 H 1 0.996 0.009 . 1 . . . B 1907 VAL HG21 . 19050 2 19 . 2 2 7 7 VAL HG22 H 1 0.996 0.009 . 1 . . . B 1907 VAL HG22 . 19050 2 20 . 2 2 7 7 VAL HG23 H 1 0.996 0.009 . 1 . . . B 1907 VAL HG23 . 19050 2 21 . 2 2 8 8 SER H H 1 8.775 0.005 . 1 . . . B 1908 SER H . 19050 2 22 . 2 2 8 8 SER HA H 1 4.082 0.010 . 1 . . . B 1908 SER HA . 19050 2 23 . 2 2 8 8 SER HB2 H 1 3.884 0.010 . 2 . . . B 1908 SER HB2 . 19050 2 24 . 2 2 8 8 SER HB3 H 1 3.789 0.011 . 2 . . . B 1908 SER HB3 . 19050 2 25 . 2 2 9 9 ALA H H 1 8.467 0.006 . 1 . . . B 1909 ALA H . 19050 2 26 . 2 2 9 9 ALA HA H 1 3.982 0.009 . 1 . . . B 1909 ALA HA . 19050 2 27 . 2 2 9 9 ALA HB1 H 1 1.446 0.011 . 1 . . . B 1909 ALA HB1 . 19050 2 28 . 2 2 9 9 ALA HB2 H 1 1.446 0.011 . 1 . . . B 1909 ALA HB2 . 19050 2 29 . 2 2 9 9 ALA HB3 H 1 1.446 0.011 . 1 . . . B 1909 ALA HB3 . 19050 2 30 . 2 2 10 10 ILE H H 1 7.288 0.005 . 1 . . . B 1910 ILE H . 19050 2 31 . 2 2 10 10 ILE HA H 1 3.749 0.005 . 1 . . . B 1910 ILE HA . 19050 2 32 . 2 2 10 10 ILE HB H 1 2.032 0.008 . 1 . . . B 1910 ILE HB . 19050 2 33 . 2 2 10 10 ILE HG12 H 1 2.162 0.005 . 2 . . . B 1910 ILE HG12 . 19050 2 34 . 2 2 10 10 ILE HG13 H 1 1.300 0.009 . 2 . . . B 1910 ILE HG13 . 19050 2 35 . 2 2 10 10 ILE HG21 H 1 0.894 0.017 . 1 . . . B 1910 ILE HG21 . 19050 2 36 . 2 2 10 10 ILE HG22 H 1 0.894 0.017 . 1 . . . B 1910 ILE HG22 . 19050 2 37 . 2 2 10 10 ILE HG23 H 1 0.894 0.017 . 1 . . . B 1910 ILE HG23 . 19050 2 38 . 2 2 10 10 ILE HD11 H 1 0.992 0.013 . 1 . . . B 1910 ILE HD11 . 19050 2 39 . 2 2 10 10 ILE HD12 H 1 0.992 0.013 . 1 . . . B 1910 ILE HD12 . 19050 2 40 . 2 2 10 10 ILE HD13 H 1 0.992 0.013 . 1 . . . B 1910 ILE HD13 . 19050 2 41 . 2 2 11 11 VAL H H 1 7.465 0.007 . 1 . . . B 1911 VAL H . 19050 2 42 . 2 2 11 11 VAL HA H 1 3.495 0.005 . 1 . . . B 1911 VAL HA . 19050 2 43 . 2 2 11 11 VAL HB H 1 2.116 0.013 . 1 . . . B 1911 VAL HB . 19050 2 44 . 2 2 11 11 VAL HG11 H 1 0.892 0.015 . 2 . . . B 1911 VAL HG11 . 19050 2 45 . 2 2 11 11 VAL HG12 H 1 0.892 0.015 . 2 . . . B 1911 VAL HG12 . 19050 2 46 . 2 2 11 11 VAL HG13 H 1 0.892 0.015 . 2 . . . B 1911 VAL HG13 . 19050 2 47 . 2 2 11 11 VAL HG21 H 1 0.980 0.015 . 2 . . . B 1911 VAL HG21 . 19050 2 48 . 2 2 11 11 VAL HG22 H 1 0.980 0.015 . 2 . . . B 1911 VAL HG22 . 19050 2 49 . 2 2 11 11 VAL HG23 H 1 0.980 0.015 . 2 . . . B 1911 VAL HG23 . 19050 2 50 . 2 2 12 12 ILE H H 1 7.912 0.004 . 1 . . . B 1912 ILE H . 19050 2 51 . 2 2 12 12 ILE HA H 1 3.696 0.010 . 1 . . . B 1912 ILE HA . 19050 2 52 . 2 2 12 12 ILE HB H 1 1.746 0.012 . 1 . . . B 1912 ILE HB . 19050 2 53 . 2 2 12 12 ILE HG12 H 1 0.994 0.014 . 2 . . . B 1912 ILE HG12 . 19050 2 54 . 2 2 12 12 ILE HG13 H 1 1.556 0.010 . 2 . . . B 1912 ILE HG13 . 19050 2 55 . 2 2 12 12 ILE HG21 H 1 0.850 0.012 . 1 . . . B 1912 ILE HG21 . 19050 2 56 . 2 2 12 12 ILE HG22 H 1 0.850 0.012 . 1 . . . B 1912 ILE HG22 . 19050 2 57 . 2 2 12 12 ILE HG23 H 1 0.850 0.012 . 1 . . . B 1912 ILE HG23 . 19050 2 58 . 2 2 12 12 ILE HD11 H 1 0.550 0.014 . 1 . . . B 1912 ILE HD11 . 19050 2 59 . 2 2 12 12 ILE HD12 H 1 0.550 0.014 . 1 . . . B 1912 ILE HD12 . 19050 2 60 . 2 2 12 12 ILE HD13 H 1 0.550 0.014 . 1 . . . B 1912 ILE HD13 . 19050 2 61 . 2 2 13 13 GLN H H 1 8.017 0.006 . 1 . . . B 1913 GLN H . 19050 2 62 . 2 2 13 13 GLN HA H 1 3.991 0.011 . 1 . . . B 1913 GLN HA . 19050 2 63 . 2 2 13 13 GLN HB2 H 1 2.156 0.012 . 2 . . . B 1913 GLN HB2 . 19050 2 64 . 2 2 13 13 GLN HB3 H 1 2.126 0.015 . 2 . . . B 1913 GLN HB3 . 19050 2 65 . 2 2 13 13 GLN HG2 H 1 2.412 0.010 . 2 . . . B 1913 GLN HG2 . 19050 2 66 . 2 2 13 13 GLN HG3 H 1 2.575 0.012 . 2 . . . B 1913 GLN HG3 . 19050 2 67 . 2 2 13 13 GLN HE21 H 1 6.879 0.009 . 1 . . . B 1913 GLN HE21 . 19050 2 68 . 2 2 13 13 GLN HE22 H 1 7.353 0.007 . 1 . . . B 1913 GLN HE22 . 19050 2 69 . 2 2 14 14 ARG H H 1 8.249 0.005 . 1 . . . B 1914 ARG H . 19050 2 70 . 2 2 14 14 ARG HA H 1 4.058 0.010 . 1 . . . B 1914 ARG HA . 19050 2 71 . 2 2 14 14 ARG HB2 H 1 2.008 0.012 . 2 . . . B 1914 ARG HB2 . 19050 2 72 . 2 2 14 14 ARG HB3 H 1 1.913 0.008 . 2 . . . B 1914 ARG HB3 . 19050 2 73 . 2 2 14 14 ARG HD3 H 1 3.196 0.017 . 1 . . . B 1914 ARG HD3 . 19050 2 74 . 2 2 15 15 ALA H H 1 8.140 0.010 . 1 . . . B 1915 ALA H . 19050 2 75 . 2 2 15 15 ALA HA H 1 3.704 0.013 . 1 . . . B 1915 ALA HA . 19050 2 76 . 2 2 15 15 ALA HB1 H 1 1.713 0.017 . 1 . . . B 1915 ALA HB1 . 19050 2 77 . 2 2 15 15 ALA HB2 H 1 1.713 0.017 . 1 . . . B 1915 ALA HB2 . 19050 2 78 . 2 2 15 15 ALA HB3 H 1 1.713 0.017 . 1 . . . B 1915 ALA HB3 . 19050 2 79 . 2 2 16 16 TYR H H 1 8.017 0.006 . 1 . . . B 1916 TYR H . 19050 2 80 . 2 2 16 16 TYR HA H 1 3.997 0.009 . 1 . . . B 1916 TYR HA . 19050 2 81 . 2 2 16 16 TYR HB2 H 1 3.131 0.011 . 2 . . . B 1916 TYR HB2 . 19050 2 82 . 2 2 16 16 TYR HB3 H 1 3.380 0.011 . 2 . . . B 1916 TYR HB3 . 19050 2 83 . 2 2 16 16 TYR HD1 H 1 6.898 0.011 . 3 . . . B 1916 TYR HD1 . 19050 2 84 . 2 2 16 16 TYR HD2 H 1 6.898 0.011 . 3 . . . B 1916 TYR HD2 . 19050 2 85 . 2 2 16 16 TYR HE1 H 1 6.765 0.017 . 3 . . . B 1916 TYR HE1 . 19050 2 86 . 2 2 16 16 TYR HE2 H 1 6.765 0.017 . 3 . . . B 1916 TYR HE2 . 19050 2 87 . 2 2 17 17 ARG H H 1 7.866 0.004 . 1 . . . B 1917 ARG H . 19050 2 88 . 2 2 17 17 ARG HA H 1 4.051 0.009 . 1 . . . B 1917 ARG HA . 19050 2 89 . 2 2 17 17 ARG HB2 H 1 2.155 0.009 . 2 . . . B 1917 ARG HB2 . 19050 2 90 . 2 2 17 17 ARG HB3 H 1 1.958 0.008 . 2 . . . B 1917 ARG HB3 . 19050 2 91 . 2 2 17 17 ARG HG2 H 1 1.923 0.009 . 2 . . . B 1917 ARG HG2 . 19050 2 92 . 2 2 17 17 ARG HG3 H 1 1.604 0.007 . 2 . . . B 1917 ARG HG3 . 19050 2 93 . 2 2 17 17 ARG HD2 H 1 3.317 0.009 . 2 . . . B 1917 ARG HD2 . 19050 2 94 . 2 2 17 17 ARG HD3 H 1 3.265 0.010 . 2 . . . B 1917 ARG HD3 . 19050 2 95 . 2 2 18 18 ARG H H 1 8.387 0.005 . 1 . . . B 1918 ARG H . 19050 2 96 . 2 2 18 18 ARG HA H 1 3.858 0.008 . 1 . . . B 1918 ARG HA . 19050 2 97 . 2 2 18 18 ARG HB2 H 1 2.018 0.014 . 2 . . . B 1918 ARG HB2 . 19050 2 98 . 2 2 18 18 ARG HB3 H 1 1.913 0.008 . 2 . . . B 1918 ARG HB3 . 19050 2 99 . 2 2 18 18 ARG HG3 H 1 1.696 0.010 . 1 . . . B 1918 ARG HG3 . 19050 2 100 . 2 2 18 18 ARG HD2 H 1 3.215 0.011 . 2 . . . B 1918 ARG HD2 . 19050 2 101 . 2 2 18 18 ARG HD3 H 1 3.167 0.014 . 2 . . . B 1918 ARG HD3 . 19050 2 102 . 2 2 19 19 TYR H H 1 8.878 0.007 . 1 . . . B 1919 TYR H . 19050 2 103 . 2 2 19 19 TYR HA H 1 4.379 0.011 . 1 . . . B 1919 TYR HA . 19050 2 104 . 2 2 19 19 TYR HB2 H 1 3.268 0.012 . 2 . . . B 1919 TYR HB2 . 19050 2 105 . 2 2 19 19 TYR HB3 H 1 3.182 0.014 . 2 . . . B 1919 TYR HB3 . 19050 2 106 . 2 2 19 19 TYR HD1 H 1 7.035 0.008 . 3 . . . B 1919 TYR HD1 . 19050 2 107 . 2 2 19 19 TYR HD2 H 1 7.035 0.008 . 3 . . . B 1919 TYR HD2 . 19050 2 108 . 2 2 19 19 TYR HE1 H 1 6.793 0.009 . 3 . . . B 1919 TYR HE1 . 19050 2 109 . 2 2 19 19 TYR HE2 H 1 6.793 0.009 . 3 . . . B 1919 TYR HE2 . 19050 2 110 . 2 2 20 20 LEU H H 1 8.137 0.010 . 1 . . . B 1920 LEU H . 19050 2 111 . 2 2 20 20 LEU HA H 1 3.699 0.007 . 1 . . . B 1920 LEU HA . 19050 2 112 . 2 2 20 20 LEU HB2 H 1 1.355 0.012 . 2 . . . B 1920 LEU HB2 . 19050 2 113 . 2 2 20 20 LEU HB3 H 1 1.430 0.014 . 2 . . . B 1920 LEU HB3 . 19050 2 114 . 2 2 20 20 LEU HD11 H 1 0.839 0.015 . 2 . . . B 1920 LEU HD11 . 19050 2 115 . 2 2 20 20 LEU HD12 H 1 0.839 0.015 . 2 . . . B 1920 LEU HD12 . 19050 2 116 . 2 2 20 20 LEU HD13 H 1 0.839 0.015 . 2 . . . B 1920 LEU HD13 . 19050 2 117 . 2 2 20 20 LEU HD21 H 1 0.806 0.010 . 2 . . . B 1920 LEU HD21 . 19050 2 118 . 2 2 20 20 LEU HD22 H 1 0.806 0.010 . 2 . . . B 1920 LEU HD22 . 19050 2 119 . 2 2 20 20 LEU HD23 H 1 0.806 0.010 . 2 . . . B 1920 LEU HD23 . 19050 2 120 . 2 2 21 21 LEU H H 1 7.677 0.005 . 1 . . . B 1921 LEU H . 19050 2 121 . 2 2 21 21 LEU HA H 1 4.055 0.011 . 1 . . . B 1921 LEU HA . 19050 2 122 . 2 2 21 21 LEU HB3 H 1 1.776 0.013 . 1 . . . B 1921 LEU HB3 . 19050 2 123 . 2 2 22 22 LYS H H 1 7.760 0.006 . 1 . . . B 1922 LYS H . 19050 2 124 . 2 2 22 22 LYS HA H 1 4.041 0.005 . 1 . . . B 1922 LYS HA . 19050 2 125 . 2 2 22 22 LYS HB3 H 1 2.069 0.005 . 1 . . . B 1922 LYS HB3 . 19050 2 126 . 2 2 22 22 LYS HG3 H 1 0.923 0.012 . 1 . . . B 1922 LYS HG3 . 19050 2 127 . 2 2 23 23 GLN H H 1 8.181 0.005 . 1 . . . B 1923 GLN H . 19050 2 128 . 2 2 23 23 GLN HA H 1 4.304 0.007 . 1 . . . B 1923 GLN HA . 19050 2 129 . 2 2 23 23 GLN HB2 H 1 1.729 0.009 . 2 . . . B 1923 GLN HB2 . 19050 2 130 . 2 2 23 23 GLN HB3 H 1 1.826 0.010 . 2 . . . B 1923 GLN HB3 . 19050 2 131 . 2 2 23 23 GLN HG3 H 1 1.426 0.012 . 1 . . . B 1923 GLN HG3 . 19050 2 132 . 2 2 24 24 LYS H H 1 7.945 0.004 . 1 . . . B 1924 LYS H . 19050 2 133 . 2 2 24 24 LYS HA H 1 4.123 0.006 . 1 . . . B 1924 LYS HA . 19050 2 134 . 2 2 24 24 LYS HB2 H 1 1.677 0.008 . 2 . . . B 1924 LYS HB2 . 19050 2 135 . 2 2 24 24 LYS HB3 H 1 1.789 0.008 . 2 . . . B 1924 LYS HB3 . 19050 2 136 . 2 2 24 24 LYS HG3 H 1 1.377 0.006 . 1 . . . B 1924 LYS HG3 . 19050 2 stop_ save_