################################### # 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 25881 _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 2 '2D 1H-15N HSQC' . . . 25881 1 3 '2D 1H-13C HSQC aliphatic' . . . 25881 1 4 '2D 1H-13C HSQC aromatic' . . . 25881 1 5 '3D CBCA(CO)NH' . . . 25881 1 6 '3D HNCO' . . . 25881 1 7 '3D HNCA' . . . 25881 1 8 '3D HCCH-TOCSY' . . . 25881 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.293 0.000 . 1 . . . A -1 PRO HA . 25881 1 2 . 1 1 2 2 PRO HB2 H 1 2.106 0.005 . 1 . . . A -1 PRO HB2 . 25881 1 3 . 1 1 2 2 PRO HB3 H 1 1.694 0.001 . 1 . . . A -1 PRO HB3 . 25881 1 4 . 1 1 2 2 PRO HG2 H 1 1.84 0.004 . 1 . . . A -1 PRO HG2 . 25881 1 5 . 1 1 2 2 PRO HG3 H 1 1.771 0.003 . 1 . . . A -1 PRO HG3 . 25881 1 6 . 1 1 2 2 PRO HD2 H 1 3.404 0.002 . 2 . . . A -1 PRO HD2 . 25881 1 7 . 1 1 2 2 PRO HD3 H 1 3.404 0.002 . 2 . . . A -1 PRO HD3 . 25881 1 8 . 1 1 2 2 PRO CA C 13 63.002 0.037 . 1 . . . A -1 PRO CA . 25881 1 9 . 1 1 2 2 PRO CB C 13 32.218 0.046 . 1 . . . A -1 PRO CB . 25881 1 10 . 1 1 2 2 PRO CG C 13 26.835 0.058 . 1 . . . A -1 PRO CG . 25881 1 11 . 1 1 2 2 PRO CD C 13 49.511 0.020 . 1 . . . A -1 PRO CD . 25881 1 12 . 1 1 4 4 MET HA H 1 3.967 0.002 . 1 . . . A 1 MET HA . 25881 1 13 . 1 1 4 4 MET HB2 H 1 2.15 0.001 . 2 . . . A 1 MET HB2 . 25881 1 14 . 1 1 4 4 MET HB3 H 1 2.15 0.001 . 2 . . . A 1 MET HB3 . 25881 1 15 . 1 1 4 4 MET HG2 H 1 1.948 0.004 . 1 . . . A 1 MET HG2 . 25881 1 16 . 1 1 4 4 MET HG3 H 1 1.771 0.007 . 1 . . . A 1 MET HG3 . 25881 1 17 . 1 1 4 4 MET HE1 H 1 1.923 0.001 . 1 . . . A 1 MET HE1 . 25881 1 18 . 1 1 4 4 MET HE2 H 1 1.923 0.001 . 1 . . . A 1 MET HE2 . 25881 1 19 . 1 1 4 4 MET HE3 H 1 1.923 0.001 . 1 . . . A 1 MET HE3 . 25881 1 20 . 1 1 4 4 MET CA C 13 57.335 0.022 . 1 . . . A 1 MET CA . 25881 1 21 . 1 1 4 4 MET CB C 13 34.18 0.035 . 1 . . . A 1 MET CB . 25881 1 22 . 1 1 4 4 MET CG C 13 30.16 0.063 . 1 . . . A 1 MET CG . 25881 1 23 . 1 1 4 4 MET CE C 13 16.792 0.016 . 1 . . . A 1 MET CE . 25881 1 24 . 1 1 5 5 VAL C C 13 175.654 0.000 . 1 . . . A 2 VAL C . 25881 1 25 . 1 1 5 5 VAL CA C 13 55.183 0.052 . 1 . . . A 2 VAL CA . 25881 1 26 . 1 1 5 5 VAL CB C 13 33.173 0.000 . 1 . . . A 2 VAL CB . 25881 1 27 . 1 1 6 6 SER H H 1 8.103 0.001 . 1 . . . A 3 SER H . 25881 1 28 . 1 1 6 6 SER HA H 1 4.323 0.000 . 1 . . . A 3 SER HA . 25881 1 29 . 1 1 6 6 SER C C 13 176.021 0.000 . 1 . . . A 3 SER C . 25881 1 30 . 1 1 6 6 SER CA C 13 62.208 0.072 . 1 . . . A 3 SER CA . 25881 1 31 . 1 1 6 6 SER N N 15 121.996 0.005 . 1 . . . A 3 SER N . 25881 1 32 . 1 1 7 7 SER H H 1 8.298 0.006 . 1 . . . A 4 SER H . 25881 1 33 . 1 1 7 7 SER HA H 1 4.317 0.000 . 1 . . . A 4 SER HA . 25881 1 34 . 1 1 7 7 SER HB2 H 1 3.714 0.000 . 2 . . . A 4 SER HB2 . 25881 1 35 . 1 1 7 7 SER HB3 H 1 3.714 0.000 . 2 . . . A 4 SER HB3 . 25881 1 36 . 1 1 7 7 SER C C 13 174.01 0.000 . 1 . . . A 4 SER C . 25881 1 37 . 1 1 7 7 SER CA C 13 58.177 0.046 . 1 . . . A 4 SER CA . 25881 1 38 . 1 1 7 7 SER CB C 13 63.763 0.058 . 1 . . . A 4 SER CB . 25881 1 39 . 1 1 7 7 SER N N 15 119.715 0.003 . 1 . . . A 4 SER N . 25881 1 40 . 1 1 8 8 ALA H H 1 8.119 0.004 . 1 . . . A 5 ALA H . 25881 1 41 . 1 1 8 8 ALA HA H 1 4.169 0.001 . 1 . . . A 5 ALA HA . 25881 1 42 . 1 1 8 8 ALA HB1 H 1 1.188 0.001 . 1 . . . A 5 ALA HB1 . 25881 1 43 . 1 1 8 8 ALA HB2 H 1 1.188 0.001 . 1 . . . A 5 ALA HB2 . 25881 1 44 . 1 1 8 8 ALA HB3 H 1 1.188 0.001 . 1 . . . A 5 ALA HB3 . 25881 1 45 . 1 1 8 8 ALA C C 13 177.297 0.000 . 1 . . . A 5 ALA C . 25881 1 46 . 1 1 8 8 ALA CA C 13 52.384 0.030 . 1 . . . A 5 ALA CA . 25881 1 47 . 1 1 8 8 ALA CB C 13 19.106 0.060 . 1 . . . A 5 ALA CB . 25881 1 48 . 1 1 8 8 ALA N N 15 126.016 0.023 . 1 . . . A 5 ALA N . 25881 1 49 . 1 1 9 9 VAL H H 1 7.861 0.003 . 1 . . . A 6 VAL H . 25881 1 50 . 1 1 9 9 VAL HA H 1 3.948 0.002 . 1 . . . A 6 VAL HA . 25881 1 51 . 1 1 9 9 VAL HB H 1 1.808 0.004 . 1 . . . A 6 VAL HB . 25881 1 52 . 1 1 9 9 VAL HG11 H 1 0.747 0.002 . 1 . . . A 6 VAL HG11 . 25881 1 53 . 1 1 9 9 VAL HG12 H 1 0.747 0.002 . 1 . . . A 6 VAL HG12 . 25881 1 54 . 1 1 9 9 VAL HG13 H 1 0.747 0.002 . 1 . . . A 6 VAL HG13 . 25881 1 55 . 1 1 9 9 VAL HG21 H 1 0.727 0.003 . 1 . . . A 6 VAL HG21 . 25881 1 56 . 1 1 9 9 VAL HG22 H 1 0.727 0.003 . 1 . . . A 6 VAL HG22 . 25881 1 57 . 1 1 9 9 VAL HG23 H 1 0.727 0.003 . 1 . . . A 6 VAL HG23 . 25881 1 58 . 1 1 9 9 VAL C C 13 175.743 0.000 . 1 . . . A 6 VAL C . 25881 1 59 . 1 1 9 9 VAL CA C 13 61.668 0.047 . 1 . . . A 6 VAL CA . 25881 1 60 . 1 1 9 9 VAL CB C 13 32.841 0.073 . 1 . . . A 6 VAL CB . 25881 1 61 . 1 1 9 9 VAL CG1 C 13 21.267 0.049 . 1 . . . A 6 VAL CG1 . 25881 1 62 . 1 1 9 9 VAL CG2 C 13 20.374 0.025 . 1 . . . A 6 VAL CG2 . 25881 1 63 . 1 1 9 9 VAL N N 15 119.174 0.009 . 1 . . . A 6 VAL N . 25881 1 64 . 1 1 10 10 LYS H H 1 8.054 0.002 . 1 . . . A 7 LYS H . 25881 1 65 . 1 1 10 10 LYS HA H 1 4.167 0.003 . 1 . . . A 7 LYS HA . 25881 1 66 . 1 1 10 10 LYS HB2 H 1 1.49 0.001 . 1 . . . A 7 LYS HB2 . 25881 1 67 . 1 1 10 10 LYS HB3 H 1 1.38 0.001 . 1 . . . A 7 LYS HB3 . 25881 1 68 . 1 1 10 10 LYS HG2 H 1 1.15 0.005 . 2 . . . A 7 LYS HG2 . 25881 1 69 . 1 1 10 10 LYS HG3 H 1 1.15 0.005 . 2 . . . A 7 LYS HG3 . 25881 1 70 . 1 1 10 10 LYS HD2 H 1 1.266 0.004 . 1 . . . A 7 LYS HD2 . 25881 1 71 . 1 1 10 10 LYS HD3 H 1 1.266 0.004 . 1 . . . A 7 LYS HD3 . 25881 1 72 . 1 1 10 10 LYS HE2 H 1 2.763 0.004 . 2 . . . A 7 LYS HE2 . 25881 1 73 . 1 1 10 10 LYS HE3 H 1 2.763 0.004 . 2 . . . A 7 LYS HE3 . 25881 1 74 . 1 1 10 10 LYS C C 13 175.665 0.000 . 1 . . . A 7 LYS C . 25881 1 75 . 1 1 10 10 LYS CA C 13 55.29 0.019 . 1 . . . A 7 LYS CA . 25881 1 76 . 1 1 10 10 LYS CB C 13 33.541 0.055 . 1 . . . A 7 LYS CB . 25881 1 77 . 1 1 10 10 LYS CG C 13 25.052 0.084 . 1 . . . A 7 LYS CG . 25881 1 78 . 1 1 10 10 LYS CD C 13 33.198 0.070 . 1 . . . A 7 LYS CD . 25881 1 79 . 1 1 10 10 LYS CE C 13 42.167 0.000 . 1 . . . A 7 LYS CE . 25881 1 80 . 1 1 10 10 LYS N N 15 123.999 0.022 . 1 . . . A 7 LYS N . 25881 1 81 . 1 1 11 11 CYS H H 1 8.539 0.001 . 1 . . . A 8 CYS H . 25881 1 82 . 1 1 11 11 CYS HA H 1 3.643 0.001 . 1 . . . A 8 CYS HA . 25881 1 83 . 1 1 11 11 CYS HB2 H 1 3.147 0.002 . 1 . . . A 8 CYS HB2 . 25881 1 84 . 1 1 11 11 CYS HB3 H 1 2.385 0.003 . 1 . . . A 8 CYS HB3 . 25881 1 85 . 1 1 11 11 CYS C C 13 177.383 0.000 . 1 . . . A 8 CYS C . 25881 1 86 . 1 1 11 11 CYS CA C 13 59.766 0.009 . 1 . . . A 8 CYS CA . 25881 1 87 . 1 1 11 11 CYS CB C 13 30.909 0.056 . 1 . . . A 8 CYS CB . 25881 1 88 . 1 1 11 11 CYS N N 15 121.428 0.015 . 1 . . . A 8 CYS N . 25881 1 89 . 1 1 12 12 GLY H H 1 9.365 0.001 . 1 . . . A 9 GLY H . 25881 1 90 . 1 1 12 12 GLY HA2 H 1 4.005 0.003 . 1 . . . A 9 GLY HA2 . 25881 1 91 . 1 1 12 12 GLY HA3 H 1 3.64 0.001 . 1 . . . A 9 GLY HA3 . 25881 1 92 . 1 1 12 12 GLY C C 13 172.77 0.000 . 1 . . . A 9 GLY C . 25881 1 93 . 1 1 12 12 GLY CA C 13 46.144 0.026 . 1 . . . A 9 GLY CA . 25881 1 94 . 1 1 12 12 GLY N N 15 118.862 0.008 . 1 . . . A 9 GLY N . 25881 1 95 . 1 1 13 13 ILE H H 1 8.972 0.001 . 1 . . . A 10 ILE H . 25881 1 96 . 1 1 13 13 ILE HA H 1 3.982 0.003 . 1 . . . A 10 ILE HA . 25881 1 97 . 1 1 13 13 ILE HB H 1 2.056 0.001 . 1 . . . A 10 ILE HB . 25881 1 98 . 1 1 13 13 ILE HG12 H 1 1.161 0.002 . 2 . . . A 10 ILE HG12 . 25881 1 99 . 1 1 13 13 ILE HG13 H 1 1.161 0.002 . 2 . . . A 10 ILE HG13 . 25881 1 100 . 1 1 13 13 ILE HG21 H 1 0.901 0.002 . 1 . . . A 10 ILE HG21 . 25881 1 101 . 1 1 13 13 ILE HG22 H 1 0.901 0.002 . 1 . . . A 10 ILE HG22 . 25881 1 102 . 1 1 13 13 ILE HG23 H 1 0.901 0.002 . 1 . . . A 10 ILE HG23 . 25881 1 103 . 1 1 13 13 ILE HD11 H 1 0.325 0.001 . 1 . . . A 10 ILE HD11 . 25881 1 104 . 1 1 13 13 ILE HD12 H 1 0.325 0.001 . 1 . . . A 10 ILE HD12 . 25881 1 105 . 1 1 13 13 ILE HD13 H 1 0.325 0.001 . 1 . . . A 10 ILE HD13 . 25881 1 106 . 1 1 13 13 ILE C C 13 175.98 0.000 . 1 . . . A 10 ILE C . 25881 1 107 . 1 1 13 13 ILE CA C 13 63.056 0.037 . 1 . . . A 10 ILE CA . 25881 1 108 . 1 1 13 13 ILE CB C 13 37.944 0.067 . 1 . . . A 10 ILE CB . 25881 1 109 . 1 1 13 13 ILE CG1 C 13 27.439 0.049 . 1 . . . A 10 ILE CG1 . 25881 1 110 . 1 1 13 13 ILE CG2 C 13 18.146 0.021 . 1 . . . A 10 ILE CG2 . 25881 1 111 . 1 1 13 13 ILE CD1 C 13 11.794 0.033 . 1 . . . A 10 ILE CD1 . 25881 1 112 . 1 1 13 13 ILE N N 15 122.885 0.015 . 1 . . . A 10 ILE N . 25881 1 113 . 1 1 14 14 CYS H H 1 8.466 0.001 . 1 . . . A 11 CYS H . 25881 1 114 . 1 1 14 14 CYS HA H 1 4.649 0.004 . 1 . . . A 11 CYS HA . 25881 1 115 . 1 1 14 14 CYS HB2 H 1 3.027 0.001 . 1 . . . A 11 CYS HB2 . 25881 1 116 . 1 1 14 14 CYS HB3 H 1 2.843 0.002 . 1 . . . A 11 CYS HB3 . 25881 1 117 . 1 1 14 14 CYS C C 13 176.78 0.000 . 1 . . . A 11 CYS C . 25881 1 118 . 1 1 14 14 CYS CA C 13 59.094 0.026 . 1 . . . A 11 CYS CA . 25881 1 119 . 1 1 14 14 CYS CB C 13 31.972 0.064 . 1 . . . A 11 CYS CB . 25881 1 120 . 1 1 14 14 CYS N N 15 118.245 0.005 . 1 . . . A 11 CYS N . 25881 1 121 . 1 1 15 15 ARG H H 1 7.255 0.001 . 1 . . . A 12 ARG H . 25881 1 122 . 1 1 15 15 ARG HA H 1 4.216 0.002 . 1 . . . A 12 ARG HA . 25881 1 123 . 1 1 15 15 ARG HB2 H 1 1.905 0.004 . 1 . . . A 12 ARG HB2 . 25881 1 124 . 1 1 15 15 ARG HB3 H 1 2.052 0.005 . 1 . . . A 12 ARG HB3 . 25881 1 125 . 1 1 15 15 ARG HG2 H 1 1.374 0.002 . 2 . . . A 12 ARG HG2 . 25881 1 126 . 1 1 15 15 ARG HG3 H 1 1.374 0.002 . 2 . . . A 12 ARG HG3 . 25881 1 127 . 1 1 15 15 ARG HD2 H 1 3.031 0.002 . 2 . . . A 12 ARG HD2 . 25881 1 128 . 1 1 15 15 ARG HD3 H 1 3.031 0.002 . 2 . . . A 12 ARG HD3 . 25881 1 129 . 1 1 15 15 ARG C C 13 175.637 0.000 . 1 . . . A 12 ARG C . 25881 1 130 . 1 1 15 15 ARG CA C 13 57.96 0.021 . 1 . . . A 12 ARG CA . 25881 1 131 . 1 1 15 15 ARG CB C 13 27.104 0.083 . 1 . . . A 12 ARG CB . 25881 1 132 . 1 1 15 15 ARG CG C 13 27.363 0.082 . 1 . . . A 12 ARG CG . 25881 1 133 . 1 1 15 15 ARG CD C 13 43.015 0.026 . 1 . . . A 12 ARG CD . 25881 1 134 . 1 1 15 15 ARG N N 15 116.067 0.005 . 1 . . . A 12 ARG N . 25881 1 135 . 1 1 16 16 GLY H H 1 8.795 0.002 . 1 . . . A 13 GLY H . 25881 1 136 . 1 1 16 16 GLY HA2 H 1 4.163 0.004 . 1 . . . A 13 GLY HA2 . 25881 1 137 . 1 1 16 16 GLY HA3 H 1 3.804 0.001 . 1 . . . A 13 GLY HA3 . 25881 1 138 . 1 1 16 16 GLY C C 13 173.169 0.000 . 1 . . . A 13 GLY C . 25881 1 139 . 1 1 16 16 GLY CA C 13 44.304 0.039 . 1 . . . A 13 GLY CA . 25881 1 140 . 1 1 16 16 GLY N N 15 109.951 0.011 . 1 . . . A 13 GLY N . 25881 1 141 . 1 1 17 17 VAL H H 1 7.266 0.001 . 1 . . . A 14 VAL H . 25881 1 142 . 1 1 17 17 VAL HA H 1 4.044 0.001 . 1 . . . A 14 VAL HA . 25881 1 143 . 1 1 17 17 VAL HB H 1 2.027 0.001 . 1 . . . A 14 VAL HB . 25881 1 144 . 1 1 17 17 VAL HG11 H 1 0.881 0.001 . 1 . . . A 14 VAL HG11 . 25881 1 145 . 1 1 17 17 VAL HG12 H 1 0.881 0.001 . 1 . . . A 14 VAL HG12 . 25881 1 146 . 1 1 17 17 VAL HG13 H 1 0.881 0.001 . 1 . . . A 14 VAL HG13 . 25881 1 147 . 1 1 17 17 VAL HG21 H 1 0.771 0.003 . 1 . . . A 14 VAL HG21 . 25881 1 148 . 1 1 17 17 VAL HG22 H 1 0.771 0.003 . 1 . . . A 14 VAL HG22 . 25881 1 149 . 1 1 17 17 VAL HG23 H 1 0.771 0.003 . 1 . . . A 14 VAL HG23 . 25881 1 150 . 1 1 17 17 VAL C C 13 174.97 0.000 . 1 . . . A 14 VAL C . 25881 1 151 . 1 1 17 17 VAL CA C 13 61.231 0.039 . 1 . . . A 14 VAL CA . 25881 1 152 . 1 1 17 17 VAL CB C 13 33.838 0.058 . 1 . . . A 14 VAL CB . 25881 1 153 . 1 1 17 17 VAL CG1 C 13 21.627 0.029 . 1 . . . A 14 VAL CG1 . 25881 1 154 . 1 1 17 17 VAL CG2 C 13 19.573 0.024 . 1 . . . A 14 VAL CG2 . 25881 1 155 . 1 1 17 17 VAL N N 15 113.644 0.020 . 1 . . . A 14 VAL N . 25881 1 156 . 1 1 18 18 ASP H H 1 8.223 0.002 . 1 . . . A 15 ASP H . 25881 1 157 . 1 1 18 18 ASP HA H 1 4.231 0.001 . 1 . . . A 15 ASP HA . 25881 1 158 . 1 1 18 18 ASP HB2 H 1 2.604 0.003 . 1 . . . A 15 ASP HB2 . 25881 1 159 . 1 1 18 18 ASP HB3 H 1 2.299 0.001 . 1 . . . A 15 ASP HB3 . 25881 1 160 . 1 1 18 18 ASP C C 13 176.279 0.000 . 1 . . . A 15 ASP C . 25881 1 161 . 1 1 18 18 ASP CA C 13 55.023 0.054 . 1 . . . A 15 ASP CA . 25881 1 162 . 1 1 18 18 ASP CB C 13 39.947 0.060 . 1 . . . A 15 ASP CB . 25881 1 163 . 1 1 18 18 ASP N N 15 119.913 0.010 . 1 . . . A 15 ASP N . 25881 1 164 . 1 1 19 19 GLY H H 1 8.617 0.002 . 1 . . . A 16 GLY H . 25881 1 165 . 1 1 19 19 GLY HA2 H 1 3.487 0.001 . 1 . . . A 16 GLY HA2 . 25881 1 166 . 1 1 19 19 GLY HA3 H 1 2.61 0.002 . 1 . . . A 16 GLY HA3 . 25881 1 167 . 1 1 19 19 GLY C C 13 173.12 0.000 . 1 . . . A 16 GLY C . 25881 1 168 . 1 1 19 19 GLY CA C 13 46.096 0.039 . 1 . . . A 16 GLY CA . 25881 1 169 . 1 1 19 19 GLY N N 15 109.534 0.024 . 1 . . . A 16 GLY N . 25881 1 170 . 1 1 20 20 LYS H H 1 7.318 0.001 . 1 . . . A 17 LYS H . 25881 1 171 . 1 1 20 20 LYS HA H 1 3.645 0.001 . 1 . . . A 17 LYS HA . 25881 1 172 . 1 1 20 20 LYS HB2 H 1 1.049 0.003 . 2 . . . A 17 LYS HB2 . 25881 1 173 . 1 1 20 20 LYS HB3 H 1 1.049 0.003 . 2 . . . A 17 LYS HB3 . 25881 1 174 . 1 1 20 20 LYS HG2 H 1 0.617 0.005 . 1 . . . A 17 LYS HG2 . 25881 1 175 . 1 1 20 20 LYS HG3 H 1 0.31 0.003 . 1 . . . A 17 LYS HG3 . 25881 1 176 . 1 1 20 20 LYS HD2 H 1 1.262 0.003 . 2 . . . A 17 LYS HD2 . 25881 1 177 . 1 1 20 20 LYS HD3 H 1 1.262 0.003 . 2 . . . A 17 LYS HD3 . 25881 1 178 . 1 1 20 20 LYS HE2 H 1 2.667 0.005 . 2 . . . A 17 LYS HE2 . 25881 1 179 . 1 1 20 20 LYS HE3 H 1 2.667 0.005 . 2 . . . A 17 LYS HE3 . 25881 1 180 . 1 1 20 20 LYS C C 13 175.029 0.000 . 1 . . . A 17 LYS C . 25881 1 181 . 1 1 20 20 LYS CA C 13 57.511 0.016 . 1 . . . A 17 LYS CA . 25881 1 182 . 1 1 20 20 LYS CB C 13 33.144 0.057 . 1 . . . A 17 LYS CB . 25881 1 183 . 1 1 20 20 LYS CG C 13 23.445 0.047 . 1 . . . A 17 LYS CG . 25881 1 184 . 1 1 20 20 LYS CD C 13 29.154 0.056 . 1 . . . A 17 LYS CD . 25881 1 185 . 1 1 20 20 LYS CE C 13 41.764 0.025 . 1 . . . A 17 LYS CE . 25881 1 186 . 1 1 20 20 LYS N N 15 121.534 0.008 . 1 . . . A 17 LYS N . 25881 1 187 . 1 1 21 21 TYR H H 1 7.661 0.003 . 1 . . . A 18 TYR H . 25881 1 188 . 1 1 21 21 TYR HA H 1 4.452 0.003 . 1 . . . A 18 TYR HA . 25881 1 189 . 1 1 21 21 TYR HB2 H 1 2.23 0.003 . 1 . . . A 18 TYR HB2 . 25881 1 190 . 1 1 21 21 TYR HB3 H 1 0.714 0.002 . 1 . . . A 18 TYR HB3 . 25881 1 191 . 1 1 21 21 TYR HD1 H 1 6.629 0.004 . 3 . . . A 18 TYR HD1 . 25881 1 192 . 1 1 21 21 TYR HE1 H 1 6.547 0.000 . 3 . . . A 18 TYR HE1 . 25881 1 193 . 1 1 21 21 TYR C C 13 174.241 0.000 . 1 . . . A 18 TYR C . 25881 1 194 . 1 1 21 21 TYR CA C 13 55.548 0.054 . 1 . . . A 18 TYR CA . 25881 1 195 . 1 1 21 21 TYR CB C 13 38.496 0.074 . 1 . . . A 18 TYR CB . 25881 1 196 . 1 1 21 21 TYR CD1 C 13 133.352 0.007 . 1 . . . A 18 TYR CD1 . 25881 1 197 . 1 1 21 21 TYR CE1 C 13 117.472 0.000 . 1 . . . A 18 TYR CE1 . 25881 1 198 . 1 1 21 21 TYR N N 15 119.391 0.012 . 1 . . . A 18 TYR N . 25881 1 199 . 1 1 22 22 LYS H H 1 8.395 0.001 . 1 . . . A 19 LYS H . 25881 1 200 . 1 1 22 22 LYS HA H 1 4.941 0.005 . 1 . . . A 19 LYS HA . 25881 1 201 . 1 1 22 22 LYS HB2 H 1 1.525 0.004 . 1 . . . A 19 LYS HB2 . 25881 1 202 . 1 1 22 22 LYS HB3 H 1 1.288 0.003 . 1 . . . A 19 LYS HB3 . 25881 1 203 . 1 1 22 22 LYS HG2 H 1 1.077 0.011 . 1 . . . A 19 LYS HG2 . 25881 1 204 . 1 1 22 22 LYS HG3 H 1 0.97 0.010 . 1 . . . A 19 LYS HG3 . 25881 1 205 . 1 1 22 22 LYS HD2 H 1 1.479 0.002 . 2 . . . A 19 LYS HD2 . 25881 1 206 . 1 1 22 22 LYS HD3 H 1 1.479 0.002 . 2 . . . A 19 LYS HD3 . 25881 1 207 . 1 1 22 22 LYS HE2 H 1 2.837 0.003 . 2 . . . A 19 LYS HE2 . 25881 1 208 . 1 1 22 22 LYS HE3 H 1 2.837 0.003 . 2 . . . A 19 LYS HE3 . 25881 1 209 . 1 1 22 22 LYS C C 13 176.321 0.000 . 1 . . . A 19 LYS C . 25881 1 210 . 1 1 22 22 LYS CA C 13 54.564 0.052 . 1 . . . A 19 LYS CA . 25881 1 211 . 1 1 22 22 LYS CB C 13 36.018 0.057 . 1 . . . A 19 LYS CB . 25881 1 212 . 1 1 22 22 LYS CG C 13 24.678 0.021 . 1 . . . A 19 LYS CG . 25881 1 213 . 1 1 22 22 LYS CD C 13 29.585 0.064 . 1 . . . A 19 LYS CD . 25881 1 214 . 1 1 22 22 LYS CE C 13 41.925 0.033 . 1 . . . A 19 LYS CE . 25881 1 215 . 1 1 22 22 LYS N N 15 120.14 0.017 . 1 . . . A 19 LYS N . 25881 1 216 . 1 1 23 23 CYS H H 1 9.391 0.002 . 1 . . . A 20 CYS H . 25881 1 217 . 1 1 23 23 CYS HA H 1 4.931 0.004 . 1 . . . A 20 CYS HA . 25881 1 218 . 1 1 23 23 CYS HB2 H 1 3.422 0.001 . 1 . . . A 20 CYS HB2 . 25881 1 219 . 1 1 23 23 CYS HB3 H 1 2.863 0.003 . 1 . . . A 20 CYS HB3 . 25881 1 220 . 1 1 23 23 CYS C C 13 176.321 0.000 . 1 . . . A 20 CYS C . 25881 1 221 . 1 1 23 23 CYS CA C 13 57.292 0.022 . 1 . . . A 20 CYS CA . 25881 1 222 . 1 1 23 23 CYS CB C 13 30.866 0.053 . 1 . . . A 20 CYS CB . 25881 1 223 . 1 1 23 23 CYS N N 15 131.127 0.016 . 1 . . . A 20 CYS N . 25881 1 224 . 1 1 24 24 PRO HA H 1 4.4 0.001 . 1 . . . A 21 PRO HA . 25881 1 225 . 1 1 24 24 PRO HB2 H 1 2.303 0.005 . 1 . . . A 21 PRO HB2 . 25881 1 226 . 1 1 24 24 PRO HB3 H 1 1.963 0.006 . 1 . . . A 21 PRO HB3 . 25881 1 227 . 1 1 24 24 PRO HG2 H 1 2.077 0.007 . 1 . . . A 21 PRO HG2 . 25881 1 228 . 1 1 24 24 PRO HG3 H 1 1.999 0.002 . 1 . . . A 21 PRO HG3 . 25881 1 229 . 1 1 24 24 PRO HD2 H 1 4.201 0.002 . 1 . . . A 21 PRO HD2 . 25881 1 230 . 1 1 24 24 PRO HD3 H 1 4.388 0.003 . 1 . . . A 21 PRO HD3 . 25881 1 231 . 1 1 24 24 PRO C C 13 176.764 0.000 . 1 . . . A 21 PRO C . 25881 1 232 . 1 1 24 24 PRO CA C 13 64.435 0.027 . 1 . . . A 21 PRO CA . 25881 1 233 . 1 1 24 24 PRO CB C 13 32.325 0.049 . 1 . . . A 21 PRO CB . 25881 1 234 . 1 1 24 24 PRO CG C 13 27.039 0.017 . 1 . . . A 21 PRO CG . 25881 1 235 . 1 1 24 24 PRO CD C 13 51.791 0.030 . 1 . . . A 21 PRO CD . 25881 1 236 . 1 1 25 25 LYS H H 1 8.55 0.004 . 1 . . . A 22 LYS H . 25881 1 237 . 1 1 25 25 LYS HA H 1 4.198 0.002 . 1 . . . A 22 LYS HA . 25881 1 238 . 1 1 25 25 LYS HB2 H 1 1.256 0.004 . 2 . . . A 22 LYS HB2 . 25881 1 239 . 1 1 25 25 LYS HB3 H 1 1.256 0.004 . 2 . . . A 22 LYS HB3 . 25881 1 240 . 1 1 25 25 LYS HG2 H 1 1.06 0.007 . 1 . . . A 22 LYS HG2 . 25881 1 241 . 1 1 25 25 LYS HG3 H 1 0.949 0.004 . 1 . . . A 22 LYS HG3 . 25881 1 242 . 1 1 25 25 LYS HD2 H 1 1.233 0.004 . 2 . . . A 22 LYS HD2 . 25881 1 243 . 1 1 25 25 LYS HD3 H 1 1.233 0.004 . 2 . . . A 22 LYS HD3 . 25881 1 244 . 1 1 25 25 LYS HE2 H 1 2.686 0.002 . 2 . . . A 22 LYS HE2 . 25881 1 245 . 1 1 25 25 LYS HE3 H 1 2.686 0.002 . 2 . . . A 22 LYS HE3 . 25881 1 246 . 1 1 25 25 LYS C C 13 176.798 0.000 . 1 . . . A 22 LYS C . 25881 1 247 . 1 1 25 25 LYS CA C 13 57.627 0.034 . 1 . . . A 22 LYS CA . 25881 1 248 . 1 1 25 25 LYS CB C 13 33.262 0.016 . 1 . . . A 22 LYS CB . 25881 1 249 . 1 1 25 25 LYS CG C 13 24.767 0.041 . 1 . . . A 22 LYS CG . 25881 1 250 . 1 1 25 25 LYS CD C 13 28.326 0.038 . 1 . . . A 22 LYS CD . 25881 1 251 . 1 1 25 25 LYS CE C 13 41.965 0.001 . 1 . . . A 22 LYS CE . 25881 1 252 . 1 1 25 25 LYS N N 15 120.217 0.026 . 1 . . . A 22 LYS N . 25881 1 253 . 1 1 26 26 CYS H H 1 7.886 0.004 . 1 . . . A 23 CYS H . 25881 1 254 . 1 1 26 26 CYS HA H 1 4.987 0.001 . 1 . . . A 23 CYS HA . 25881 1 255 . 1 1 26 26 CYS HB2 H 1 3.347 0.002 . 1 . . . A 23 CYS HB2 . 25881 1 256 . 1 1 26 26 CYS HB3 H 1 2.642 0.004 . 1 . . . A 23 CYS HB3 . 25881 1 257 . 1 1 26 26 CYS C C 13 176.434 0.000 . 1 . . . A 23 CYS C . 25881 1 258 . 1 1 26 26 CYS CA C 13 58.155 0.032 . 1 . . . A 23 CYS CA . 25881 1 259 . 1 1 26 26 CYS CB C 13 32.482 0.068 . 1 . . . A 23 CYS CB . 25881 1 260 . 1 1 26 26 CYS N N 15 115.45 0.007 . 1 . . . A 23 CYS N . 25881 1 261 . 1 1 27 27 GLY H H 1 7.958 0.001 . 1 . . . A 24 GLY H . 25881 1 262 . 1 1 27 27 GLY HA2 H 1 4.146 0.001 . 1 . . . A 24 GLY HA2 . 25881 1 263 . 1 1 27 27 GLY HA3 H 1 3.703 0.003 . 1 . . . A 24 GLY HA3 . 25881 1 264 . 1 1 27 27 GLY C C 13 173.369 0.000 . 1 . . . A 24 GLY C . 25881 1 265 . 1 1 27 27 GLY CA C 13 46.152 0.029 . 1 . . . A 24 GLY CA . 25881 1 266 . 1 1 27 27 GLY N N 15 112.961 0.022 . 1 . . . A 24 GLY N . 25881 1 267 . 1 1 28 28 VAL H H 1 8.348 0.002 . 1 . . . A 25 VAL H . 25881 1 268 . 1 1 28 28 VAL HA H 1 3.979 0.001 . 1 . . . A 25 VAL HA . 25881 1 269 . 1 1 28 28 VAL HB H 1 2.212 0.001 . 1 . . . A 25 VAL HB . 25881 1 270 . 1 1 28 28 VAL HG11 H 1 0.444 0.001 . 1 . . . A 25 VAL HG11 . 25881 1 271 . 1 1 28 28 VAL HG12 H 1 0.444 0.001 . 1 . . . A 25 VAL HG12 . 25881 1 272 . 1 1 28 28 VAL HG13 H 1 0.444 0.001 . 1 . . . A 25 VAL HG13 . 25881 1 273 . 1 1 28 28 VAL HG21 H 1 1.05 0.001 . 1 . . . A 25 VAL HG21 . 25881 1 274 . 1 1 28 28 VAL HG22 H 1 1.05 0.001 . 1 . . . A 25 VAL HG22 . 25881 1 275 . 1 1 28 28 VAL HG23 H 1 1.05 0.001 . 1 . . . A 25 VAL HG23 . 25881 1 276 . 1 1 28 28 VAL C C 13 173.934 0.000 . 1 . . . A 25 VAL C . 25881 1 277 . 1 1 28 28 VAL CA C 13 63.136 0.019 . 1 . . . A 25 VAL CA . 25881 1 278 . 1 1 28 28 VAL CB C 13 31.959 0.033 . 1 . . . A 25 VAL CB . 25881 1 279 . 1 1 28 28 VAL CG1 C 13 20.921 0.034 . 1 . . . A 25 VAL CG1 . 25881 1 280 . 1 1 28 28 VAL CG2 C 13 22.698 0.016 . 1 . . . A 25 VAL CG2 . 25881 1 281 . 1 1 28 28 VAL N N 15 123.968 0.006 . 1 . . . A 25 VAL N . 25881 1 282 . 1 1 29 29 ARG H H 1 8.379 0.003 . 1 . . . A 26 ARG H . 25881 1 283 . 1 1 29 29 ARG HA H 1 5.26 0.003 . 1 . . . A 26 ARG HA . 25881 1 284 . 1 1 29 29 ARG HB2 H 1 1.768 0.003 . 1 . . . A 26 ARG HB2 . 25881 1 285 . 1 1 29 29 ARG HB3 H 1 1.635 0.011 . 1 . . . A 26 ARG HB3 . 25881 1 286 . 1 1 29 29 ARG HG2 H 1 1.579 0.006 . 1 . . . A 26 ARG HG2 . 25881 1 287 . 1 1 29 29 ARG HG3 H 1 1.489 0.004 . 1 . . . A 26 ARG HG3 . 25881 1 288 . 1 1 29 29 ARG HD2 H 1 3.074 0.003 . 1 . . . A 26 ARG HD2 . 25881 1 289 . 1 1 29 29 ARG HD3 H 1 2.912 0.004 . 1 . . . A 26 ARG HD3 . 25881 1 290 . 1 1 29 29 ARG C C 13 177.008 0.000 . 1 . . . A 26 ARG C . 25881 1 291 . 1 1 29 29 ARG CA C 13 53.328 0.035 . 1 . . . A 26 ARG CA . 25881 1 292 . 1 1 29 29 ARG CB C 13 29.323 0.076 . 1 . . . A 26 ARG CB . 25881 1 293 . 1 1 29 29 ARG CG C 13 27.413 0.033 . 1 . . . A 26 ARG CG . 25881 1 294 . 1 1 29 29 ARG CD C 13 41.726 0.037 . 1 . . . A 26 ARG CD . 25881 1 295 . 1 1 29 29 ARG N N 15 125.641 0.016 . 1 . . . A 26 ARG N . 25881 1 296 . 1 1 30 30 TYR H H 1 8.631 0.004 . 1 . . . A 27 TYR H . 25881 1 297 . 1 1 30 30 TYR HA H 1 6.693 0.006 . 1 . . . A 27 TYR HA . 25881 1 298 . 1 1 30 30 TYR HB2 H 1 2.706 0.003 . 1 . . . A 27 TYR HB2 . 25881 1 299 . 1 1 30 30 TYR HB3 H 1 2.579 0.005 . 1 . . . A 27 TYR HB3 . 25881 1 300 . 1 1 30 30 TYR HD1 H 1 6.945 0.007 . 3 . . . A 27 TYR HD1 . 25881 1 301 . 1 1 30 30 TYR HE1 H 1 6.019 0.001 . 3 . . . A 27 TYR HE1 . 25881 1 302 . 1 1 30 30 TYR C C 13 175.404 0.000 . 1 . . . A 27 TYR C . 25881 1 303 . 1 1 30 30 TYR CA C 13 55.476 0.026 . 1 . . . A 27 TYR CA . 25881 1 304 . 1 1 30 30 TYR CB C 13 41.903 0.063 . 1 . . . A 27 TYR CB . 25881 1 305 . 1 1 30 30 TYR CD1 C 13 133.651 0.000 . 1 . . . A 27 TYR CD1 . 25881 1 306 . 1 1 30 30 TYR CE1 C 13 118.274 0.000 . 1 . . . A 27 TYR CE1 . 25881 1 307 . 1 1 30 30 TYR N N 15 117.706 0.021 . 1 . . . A 27 TYR N . 25881 1 308 . 1 1 31 31 CYS H H 1 8.817 0.002 . 1 . . . A 28 CYS H . 25881 1 309 . 1 1 31 31 CYS HA H 1 4.905 0.001 . 1 . . . A 28 CYS HA . 25881 1 310 . 1 1 31 31 CYS HB2 H 1 3.113 0.003 . 1 . . . A 28 CYS HB2 . 25881 1 311 . 1 1 31 31 CYS HB3 H 1 2.548 0.005 . 1 . . . A 28 CYS HB3 . 25881 1 312 . 1 1 31 31 CYS C C 13 176.186 0.000 . 1 . . . A 28 CYS C . 25881 1 313 . 1 1 31 31 CYS CA C 13 58.614 0.055 . 1 . . . A 28 CYS CA . 25881 1 314 . 1 1 31 31 CYS CB C 13 34.827 0.069 . 1 . . . A 28 CYS CB . 25881 1 315 . 1 1 31 31 CYS N N 15 118.515 0.011 . 1 . . . A 28 CYS N . 25881 1 316 . 1 1 32 32 SER H H 1 7.4 0.001 . 1 . . . A 29 SER H . 25881 1 317 . 1 1 32 32 SER HA H 1 4.877 0.004 . 1 . . . A 29 SER HA . 25881 1 318 . 1 1 32 32 SER HB2 H 1 4.25 0.004 . 1 . . . A 29 SER HB2 . 25881 1 319 . 1 1 32 32 SER HB3 H 1 4.092 0.004 . 1 . . . A 29 SER HB3 . 25881 1 320 . 1 1 32 32 SER C C 13 178.077 0.000 . 1 . . . A 29 SER C . 25881 1 321 . 1 1 32 32 SER CA C 13 57.26 0.034 . 1 . . . A 29 SER CA . 25881 1 322 . 1 1 32 32 SER CB C 13 65.051 0.017 . 1 . . . A 29 SER CB . 25881 1 323 . 1 1 32 32 SER N N 15 114.067 0.008 . 1 . . . A 29 SER N . 25881 1 324 . 1 1 33 33 LEU H H 1 6.951 0.000 . 1 . . . A 30 LEU H . 25881 1 325 . 1 1 33 33 LEU HA H 1 4.039 0.003 . 1 . . . A 30 LEU HA . 25881 1 326 . 1 1 33 33 LEU HB2 H 1 1.595 0.002 . 1 . . . A 30 LEU HB2 . 25881 1 327 . 1 1 33 33 LEU HB3 H 1 1.507 0.006 . 1 . . . A 30 LEU HB3 . 25881 1 328 . 1 1 33 33 LEU HG H 1 1.541 0.003 . 1 . . . A 30 LEU HG . 25881 1 329 . 1 1 33 33 LEU HD11 H 1 0.775 0.005 . 1 . . . A 30 LEU HD11 . 25881 1 330 . 1 1 33 33 LEU HD12 H 1 0.775 0.005 . 1 . . . A 30 LEU HD12 . 25881 1 331 . 1 1 33 33 LEU HD13 H 1 0.775 0.005 . 1 . . . A 30 LEU HD13 . 25881 1 332 . 1 1 33 33 LEU HD21 H 1 0.678 0.004 . 1 . . . A 30 LEU HD21 . 25881 1 333 . 1 1 33 33 LEU HD22 H 1 0.678 0.004 . 1 . . . A 30 LEU HD22 . 25881 1 334 . 1 1 33 33 LEU HD23 H 1 0.678 0.004 . 1 . . . A 30 LEU HD23 . 25881 1 335 . 1 1 33 33 LEU C C 13 178.077 0.000 . 1 . . . A 30 LEU C . 25881 1 336 . 1 1 33 33 LEU CA C 13 57.451 0.034 . 1 . . . A 30 LEU CA . 25881 1 337 . 1 1 33 33 LEU CB C 13 41.229 0.032 . 1 . . . A 30 LEU CB . 25881 1 338 . 1 1 33 33 LEU CG C 13 27 0.028 . 1 . . . A 30 LEU CG . 25881 1 339 . 1 1 33 33 LEU CD1 C 13 24.018 0.024 . 1 . . . A 30 LEU CD1 . 25881 1 340 . 1 1 33 33 LEU CD2 C 13 23.858 0.012 . 1 . . . A 30 LEU CD2 . 25881 1 341 . 1 1 34 34 LYS H H 1 8.03 0.001 . 1 . . . A 31 LYS H . 25881 1 342 . 1 1 34 34 LYS HA H 1 3.79 0.001 . 1 . . . A 31 LYS HA . 25881 1 343 . 1 1 34 34 LYS HB2 H 1 1.758 0.007 . 2 . . . A 31 LYS HB2 . 25881 1 344 . 1 1 34 34 LYS HB3 H 1 1.758 0.007 . 2 . . . A 31 LYS HB3 . 25881 1 345 . 1 1 34 34 LYS HG2 H 1 1.352 0.005 . 1 . . . A 31 LYS HG2 . 25881 1 346 . 1 1 34 34 LYS HG3 H 1 1.257 0.003 . 1 . . . A 31 LYS HG3 . 25881 1 347 . 1 1 34 34 LYS HD2 H 1 1.57 0.006 . 2 . . . A 31 LYS HD2 . 25881 1 348 . 1 1 34 34 LYS HD3 H 1 1.57 0.006 . 2 . . . A 31 LYS HD3 . 25881 1 349 . 1 1 34 34 LYS HE2 H 1 2.872 0.004 . 2 . . . A 31 LYS HE2 . 25881 1 350 . 1 1 34 34 LYS HE3 H 1 2.872 0.004 . 2 . . . A 31 LYS HE3 . 25881 1 351 . 1 1 34 34 LYS C C 13 179.162 0.000 . 1 . . . A 31 LYS C . 25881 1 352 . 1 1 34 34 LYS CA C 13 59.867 0.045 . 1 . . . A 31 LYS CA . 25881 1 353 . 1 1 34 34 LYS CB C 13 31.907 0.047 . 1 . . . A 31 LYS CB . 25881 1 354 . 1 1 34 34 LYS CG C 13 24.483 0.028 . 1 . . . A 31 LYS CG . 25881 1 355 . 1 1 34 34 LYS CD C 13 29.242 0.004 . 1 . . . A 31 LYS CD . 25881 1 356 . 1 1 34 34 LYS CE C 13 42.187 0.003 . 1 . . . A 31 LYS CE . 25881 1 357 . 1 1 34 34 LYS N N 15 118.534 0.026 . 1 . . . A 31 LYS N . 25881 1 358 . 1 1 35 35 CYS H H 1 7.424 0.003 . 1 . . . A 32 CYS H . 25881 1 359 . 1 1 35 35 CYS HA H 1 3.985 0.001 . 1 . . . A 32 CYS HA . 25881 1 360 . 1 1 35 35 CYS HB2 H 1 2.908 0.007 . 1 . . . A 32 CYS HB2 . 25881 1 361 . 1 1 35 35 CYS HB3 H 1 2.699 0.005 . 1 . . . A 32 CYS HB3 . 25881 1 362 . 1 1 35 35 CYS C C 13 176.766 0.000 . 1 . . . A 32 CYS C . 25881 1 363 . 1 1 35 35 CYS CA C 13 65.679 0.045 . 1 . . . A 32 CYS CA . 25881 1 364 . 1 1 35 35 CYS CB C 13 29.549 0.067 . 1 . . . A 32 CYS CB . 25881 1 365 . 1 1 35 35 CYS N N 15 118.7 0.012 . 1 . . . A 32 CYS N . 25881 1 366 . 1 1 36 36 TYR H H 1 7.918 0.003 . 1 . . . A 33 TYR H . 25881 1 367 . 1 1 36 36 TYR HA H 1 3.11 0.004 . 1 . . . A 33 TYR HA . 25881 1 368 . 1 1 36 36 TYR HB2 H 1 2.834 0.003 . 1 . . . A 33 TYR HB2 . 25881 1 369 . 1 1 36 36 TYR HB3 H 1 2.425 0.001 . 1 . . . A 33 TYR HB3 . 25881 1 370 . 1 1 36 36 TYR HD1 H 1 6.015 0.003 . 3 . . . A 33 TYR HD1 . 25881 1 371 . 1 1 36 36 TYR HE1 H 1 6.781 0.005 . 3 . . . A 33 TYR HE1 . 25881 1 372 . 1 1 36 36 TYR C C 13 178.549 0.000 . 1 . . . A 33 TYR C . 25881 1 373 . 1 1 36 36 TYR CA C 13 61.187 0.039 . 1 . . . A 33 TYR CA . 25881 1 374 . 1 1 36 36 TYR CB C 13 38.846 0.056 . 1 . . . A 33 TYR CB . 25881 1 375 . 1 1 36 36 TYR CD1 C 13 132.737 0.032 . 1 . . . A 33 TYR CD1 . 25881 1 376 . 1 1 36 36 TYR CE1 C 13 115.714 0.000 . 1 . . . A 33 TYR CE1 . 25881 1 377 . 1 1 36 36 TYR N N 15 118.151 0.007 . 1 . . . A 33 TYR N . 25881 1 378 . 1 1 37 37 LYS H H 1 7.939 0.002 . 1 . . . A 34 LYS H . 25881 1 379 . 1 1 37 37 LYS HA H 1 3.922 0.002 . 1 . . . A 34 LYS HA . 25881 1 380 . 1 1 37 37 LYS HB2 H 1 1.97 0.002 . 1 . . . A 34 LYS HB2 . 25881 1 381 . 1 1 37 37 LYS HB3 H 1 1.642 0.003 . 1 . . . A 34 LYS HB3 . 25881 1 382 . 1 1 37 37 LYS HG2 H 1 1.583 0.009 . 1 . . . A 34 LYS HG2 . 25881 1 383 . 1 1 37 37 LYS HG3 H 1 1.388 0.003 . 1 . . . A 34 LYS HG3 . 25881 1 384 . 1 1 37 37 LYS HD2 H 1 1.547 0.002 . 2 . . . A 34 LYS HD2 . 25881 1 385 . 1 1 37 37 LYS HD3 H 1 1.547 0.002 . 2 . . . A 34 LYS HD3 . 25881 1 386 . 1 1 37 37 LYS HE2 H 1 2.845 0.002 . 2 . . . A 34 LYS HE2 . 25881 1 387 . 1 1 37 37 LYS HE3 H 1 2.845 0.002 . 2 . . . A 34 LYS HE3 . 25881 1 388 . 1 1 37 37 LYS C C 13 174.991 0.000 . 1 . . . A 34 LYS C . 25881 1 389 . 1 1 37 37 LYS CA C 13 55.951 0.034 . 1 . . . A 34 LYS CA . 25881 1 390 . 1 1 37 37 LYS CB C 13 32.145 0.059 . 1 . . . A 34 LYS CB . 25881 1 391 . 1 1 37 37 LYS CG C 13 25.527 0.046 . 1 . . . A 34 LYS CG . 25881 1 392 . 1 1 37 37 LYS CD C 13 29.069 0.001 . 1 . . . A 34 LYS CD . 25881 1 393 . 1 1 37 37 LYS CE C 13 41.913 0.000 . 1 . . . A 34 LYS CE . 25881 1 394 . 1 1 37 37 LYS N N 15 114.631 0.014 . 1 . . . A 34 LYS N . 25881 1 395 . 1 1 38 38 ASP H H 1 7.115 0.002 . 1 . . . A 35 ASP H . 25881 1 396 . 1 1 38 38 ASP HA H 1 4.294 0.002 . 1 . . . A 35 ASP HA . 25881 1 397 . 1 1 38 38 ASP HB2 H 1 2.956 0.001 . 1 . . . A 35 ASP HB2 . 25881 1 398 . 1 1 38 38 ASP HB3 H 1 2.512 0.001 . 1 . . . A 35 ASP HB3 . 25881 1 399 . 1 1 38 38 ASP C C 13 175.48 0.000 . 1 . . . A 35 ASP C . 25881 1 400 . 1 1 38 38 ASP CA C 13 54.339 0.034 . 1 . . . A 35 ASP CA . 25881 1 401 . 1 1 38 38 ASP CB C 13 40.361 0.023 . 1 . . . A 35 ASP CB . 25881 1 402 . 1 1 38 38 ASP N N 15 121.194 0.013 . 1 . . . A 35 ASP N . 25881 1 403 . 1 1 39 39 ALA H H 1 8.073 0.001 . 1 . . . A 36 ALA H . 25881 1 404 . 1 1 39 39 ALA HA H 1 3.887 0.001 . 1 . . . A 36 ALA HA . 25881 1 405 . 1 1 39 39 ALA HB1 H 1 1.238 0.001 . 1 . . . A 36 ALA HB1 . 25881 1 406 . 1 1 39 39 ALA HB2 H 1 1.238 0.001 . 1 . . . A 36 ALA HB2 . 25881 1 407 . 1 1 39 39 ALA HB3 H 1 1.238 0.001 . 1 . . . A 36 ALA HB3 . 25881 1 408 . 1 1 39 39 ALA C C 13 177.717 0.000 . 1 . . . A 36 ALA C . 25881 1 409 . 1 1 39 39 ALA CA C 13 53.526 0.035 . 1 . . . A 36 ALA CA . 25881 1 410 . 1 1 39 39 ALA CB C 13 18.711 0.055 . 1 . . . A 36 ALA CB . 25881 1 411 . 1 1 39 39 ALA N N 15 130.311 0.016 . 1 . . . A 36 ALA N . 25881 1 412 . 1 1 40 40 ALA H H 1 7.839 0.001 . 1 . . . A 37 ALA H . 25881 1 413 . 1 1 40 40 ALA HA H 1 4.086 0.001 . 1 . . . A 37 ALA HA . 25881 1 414 . 1 1 40 40 ALA HB1 H 1 1.28 0.002 . 1 . . . A 37 ALA HB1 . 25881 1 415 . 1 1 40 40 ALA HB2 H 1 1.28 0.002 . 1 . . . A 37 ALA HB2 . 25881 1 416 . 1 1 40 40 ALA HB3 H 1 1.28 0.002 . 1 . . . A 37 ALA HB3 . 25881 1 417 . 1 1 40 40 ALA C C 13 178.989 0.000 . 1 . . . A 37 ALA C . 25881 1 418 . 1 1 40 40 ALA CA C 13 53.211 0.049 . 1 . . . A 37 ALA CA . 25881 1 419 . 1 1 40 40 ALA CB C 13 19.147 0.089 . 1 . . . A 37 ALA CB . 25881 1 420 . 1 1 40 40 ALA N N 15 117.133 0.004 . 1 . . . A 37 ALA N . 25881 1 421 . 1 1 41 41 LYS H H 1 7.292 0.004 . 1 . . . A 38 LYS H . 25881 1 422 . 1 1 41 41 LYS HA H 1 4.295 0.002 . 1 . . . A 38 LYS HA . 25881 1 423 . 1 1 41 41 LYS HB2 H 1 1.811 0.002 . 1 . . . A 38 LYS HB2 . 25881 1 424 . 1 1 41 41 LYS HB3 H 1 1.298 0.003 . 1 . . . A 38 LYS HB3 . 25881 1 425 . 1 1 41 41 LYS HG2 H 1 1.281 0.004 . 1 . . . A 38 LYS HG2 . 25881 1 426 . 1 1 41 41 LYS HG3 H 1 1.165 0.004 . 1 . . . A 38 LYS HG3 . 25881 1 427 . 1 1 41 41 LYS HD2 H 1 1.556 0.005 . 1 . . . A 38 LYS HD2 . 25881 1 428 . 1 1 41 41 LYS HD3 H 1 1.5 0.007 . 1 . . . A 38 LYS HD3 . 25881 1 429 . 1 1 41 41 LYS HE2 H 1 2.841 0.002 . 2 . . . A 38 LYS HE2 . 25881 1 430 . 1 1 41 41 LYS HE3 H 1 2.841 0.002 . 2 . . . A 38 LYS HE3 . 25881 1 431 . 1 1 41 41 LYS C C 13 175.69 0.000 . 1 . . . A 38 LYS C . 25881 1 432 . 1 1 41 41 LYS CA C 13 56.203 0.026 . 1 . . . A 38 LYS CA . 25881 1 433 . 1 1 41 41 LYS CB C 13 36.148 0.067 . 1 . . . A 38 LYS CB . 25881 1 434 . 1 1 41 41 LYS CG C 13 25.528 0.035 . 1 . . . A 38 LYS CG . 25881 1 435 . 1 1 41 41 LYS CD C 13 29.068 0.022 . 1 . . . A 38 LYS CD . 25881 1 436 . 1 1 41 41 LYS CE C 13 42.179 0.000 . 1 . . . A 38 LYS CE . 25881 1 437 . 1 1 41 41 LYS N N 15 114.127 0.015 . 1 . . . A 38 LYS N . 25881 1 438 . 1 1 42 42 HIS H H 1 8.393 0.003 . 1 . . . A 39 HIS H . 25881 1 439 . 1 1 42 42 HIS HA H 1 4.763 0.003 . 1 . . . A 39 HIS HA . 25881 1 440 . 1 1 42 42 HIS HB2 H 1 2.997 0.008 . 1 . . . A 39 HIS HB2 . 25881 1 441 . 1 1 42 42 HIS HB3 H 1 2.344 0.004 . 1 . . . A 39 HIS HB3 . 25881 1 442 . 1 1 42 42 HIS HD2 H 1 6.566 0.006 . 1 . . . A 39 HIS HD2 . 25881 1 443 . 1 1 42 42 HIS HE1 H 1 7.119 0.003 . 1 . . . A 39 HIS HE1 . 25881 1 444 . 1 1 42 42 HIS C C 13 171.783 0.000 . 1 . . . A 39 HIS C . 25881 1 445 . 1 1 42 42 HIS CA C 13 52.635 0.077 . 1 . . . A 39 HIS CA . 25881 1 446 . 1 1 42 42 HIS CB C 13 27.629 0.068 . 1 . . . A 39 HIS CB . 25881 1 447 . 1 1 42 42 HIS CD2 C 13 123.913 0.029 . 1 . . . A 39 HIS CD2 . 25881 1 448 . 1 1 42 42 HIS CE1 C 13 138.082 0.008 . 1 . . . A 39 HIS CE1 . 25881 1 449 . 1 1 42 42 HIS N N 15 122.11 0.029 . 1 . . . A 39 HIS N . 25881 1 450 . 1 1 42 42 HIS ND1 N 15 171.279 0.026 . 1 . . . A 39 HIS ND1 . 25881 1 451 . 1 1 42 42 HIS NE2 N 15 215.575 0.020 . 1 . . . A 39 HIS NE2 . 25881 1 452 . 1 1 43 43 VAL H H 1 7.811 0.006 . 1 . . . A 40 VAL H . 25881 1 453 . 1 1 43 43 VAL HA H 1 3.747 0.003 . 1 . . . A 40 VAL HA . 25881 1 454 . 1 1 43 43 VAL HB H 1 1.706 0.002 . 1 . . . A 40 VAL HB . 25881 1 455 . 1 1 43 43 VAL HG11 H 1 0.622 0.008 . 1 . . . A 40 VAL HG11 . 25881 1 456 . 1 1 43 43 VAL HG12 H 1 0.622 0.008 . 1 . . . A 40 VAL HG12 . 25881 1 457 . 1 1 43 43 VAL HG13 H 1 0.622 0.008 . 1 . . . A 40 VAL HG13 . 25881 1 458 . 1 1 43 43 VAL HG21 H 1 0.579 0.003 . 1 . . . A 40 VAL HG21 . 25881 1 459 . 1 1 43 43 VAL HG22 H 1 0.579 0.003 . 1 . . . A 40 VAL HG22 . 25881 1 460 . 1 1 43 43 VAL HG23 H 1 0.579 0.003 . 1 . . . A 40 VAL HG23 . 25881 1 461 . 1 1 43 43 VAL C C 13 175.292 0.000 . 1 . . . A 40 VAL C . 25881 1 462 . 1 1 43 43 VAL CA C 13 61.164 0.057 . 1 . . . A 40 VAL CA . 25881 1 463 . 1 1 43 43 VAL CB C 13 34.132 0.053 . 1 . . . A 40 VAL CB . 25881 1 464 . 1 1 43 43 VAL CG1 C 13 21.033 0.062 . 1 . . . A 40 VAL CG1 . 25881 1 465 . 1 1 43 43 VAL CG2 C 13 20.496 0.037 . 1 . . . A 40 VAL CG2 . 25881 1 466 . 1 1 43 43 VAL N N 15 123.393 0.014 . 1 . . . A 40 VAL N . 25881 1 467 . 1 1 44 44 HIS H H 1 8.512 0.002 . 1 . . . A 41 HIS H . 25881 1 468 . 1 1 44 44 HIS HA H 1 4.878 0.003 . 1 . . . A 41 HIS HA . 25881 1 469 . 1 1 44 44 HIS HB2 H 1 2.884 0.005 . 1 . . . A 41 HIS HB2 . 25881 1 470 . 1 1 44 44 HIS HB3 H 1 2.731 0.004 . 1 . . . A 41 HIS HB3 . 25881 1 471 . 1 1 44 44 HIS HD2 H 1 6.613 0.002 . 1 . . . A 41 HIS HD2 . 25881 1 472 . 1 1 44 44 HIS HE1 H 1 7.385 0.002 . 1 . . . A 41 HIS HE1 . 25881 1 473 . 1 1 44 44 HIS C C 13 174.64 0.000 . 1 . . . A 41 HIS C . 25881 1 474 . 1 1 44 44 HIS CA C 13 52.9 0.057 . 1 . . . A 41 HIS CA . 25881 1 475 . 1 1 44 44 HIS CB C 13 30.067 0.067 . 1 . . . A 41 HIS CB . 25881 1 476 . 1 1 44 44 HIS CD2 C 13 124.926 0.000 . 1 . . . A 41 HIS CD2 . 25881 1 477 . 1 1 44 44 HIS CE1 C 13 138.536 0.028 . 1 . . . A 41 HIS CE1 . 25881 1 478 . 1 1 44 44 HIS N N 15 125.669 0.015 . 1 . . . A 41 HIS N . 25881 1 479 . 1 1 44 44 HIS ND1 N 15 173.269 0.080 . 1 . . . A 41 HIS ND1 . 25881 1 480 . 1 1 44 44 HIS NE2 N 15 211.535 0.002 . 1 . . . A 41 HIS NE2 . 25881 1 481 . 1 1 45 45 LYS H H 1 8.668 0.001 . 1 . . . A 42 LYS H . 25881 1 482 . 1 1 45 45 LYS C C 13 176.739 0.000 . 1 . . . A 42 LYS C . 25881 1 483 . 1 1 45 45 LYS CA C 13 56.32 0.034 . 1 . . . A 42 LYS CA . 25881 1 484 . 1 1 45 45 LYS CB C 13 33.229 0.000 . 1 . . . A 42 LYS CB . 25881 1 485 . 1 1 45 45 LYS N N 15 123.564 0.021 . 1 . . . A 42 LYS N . 25881 1 486 . 1 1 46 46 GLU H H 1 8.59 0.001 . 1 . . . A 43 GLU H . 25881 1 487 . 1 1 46 46 GLU HA H 1 4.11 0.005 . 1 . . . A 43 GLU HA . 25881 1 488 . 1 1 46 46 GLU HB2 H 1 1.922 0.004 . 1 . . . A 43 GLU HB2 . 25881 1 489 . 1 1 46 46 GLU HB3 H 1 1.797 0.003 . 1 . . . A 43 GLU HB3 . 25881 1 490 . 1 1 46 46 GLU HG2 H 1 2.133 0.003 . 2 . . . A 43 GLU HG2 . 25881 1 491 . 1 1 46 46 GLU HG3 H 1 2.133 0.003 . 2 . . . A 43 GLU HG3 . 25881 1 492 . 1 1 46 46 GLU C C 13 176.569 0.000 . 1 . . . A 43 GLU C . 25881 1 493 . 1 1 46 46 GLU CA C 13 57.097 0.024 . 1 . . . A 43 GLU CA . 25881 1 494 . 1 1 46 46 GLU CB C 13 29.948 0.036 . 1 . . . A 43 GLU CB . 25881 1 495 . 1 1 46 46 GLU CG C 13 36.107 0.016 . 1 . . . A 43 GLU CG . 25881 1 496 . 1 1 46 46 GLU N N 15 122.633 0.041 . 1 . . . A 43 GLU N . 25881 1 497 . 1 1 47 47 SER H H 1 8.105 0.001 . 1 . . . A 44 SER H . 25881 1 498 . 1 1 47 47 SER HA H 1 4.268 0.004 . 1 . . . A 44 SER HA . 25881 1 499 . 1 1 47 47 SER C C 13 174.336 0.000 . 1 . . . A 44 SER C . 25881 1 500 . 1 1 47 47 SER CA C 13 58.348 0.095 . 1 . . . A 44 SER CA . 25881 1 501 . 1 1 47 47 SER CB C 13 63.724 0.000 . 1 . . . A 44 SER CB . 25881 1 502 . 1 1 47 47 SER N N 15 115.147 0.004 . 1 . . . A 44 SER N . 25881 1 503 . 1 1 48 48 GLU H H 1 8.183 0.002 . 1 . . . A 45 GLU H . 25881 1 504 . 1 1 48 48 GLU HA H 1 4.163 0.001 . 1 . . . A 45 GLU HA . 25881 1 505 . 1 1 48 48 GLU HB2 H 1 1.89 0.005 . 1 . . . A 45 GLU HB2 . 25881 1 506 . 1 1 48 48 GLU HB3 H 1 1.779 0.003 . 1 . . . A 45 GLU HB3 . 25881 1 507 . 1 1 48 48 GLU HG2 H 1 2.097 0.003 . 2 . . . A 45 GLU HG2 . 25881 1 508 . 1 1 48 48 GLU HG3 H 1 2.097 0.003 . 2 . . . A 45 GLU HG3 . 25881 1 509 . 1 1 48 48 GLU C C 13 175.304 0.000 . 1 . . . A 45 GLU C . 25881 1 510 . 1 1 48 48 GLU CA C 13 56.412 0.048 . 1 . . . A 45 GLU CA . 25881 1 511 . 1 1 48 48 GLU CB C 13 30.13 0.059 . 1 . . . A 45 GLU CB . 25881 1 512 . 1 1 48 48 GLU CG C 13 36.259 0.061 . 1 . . . A 45 GLU CG . 25881 1 513 . 1 1 48 48 GLU N N 15 122.849 0.016 . 1 . . . A 45 GLU N . 25881 1 514 . 1 1 49 49 GLN H H 1 7.691 0.003 . 1 . . . A 46 GLN H . 25881 1 515 . 1 1 49 49 GLN HE21 H 1 7.332 0.004 . 1 . . . A 46 GLN HE21 . 25881 1 516 . 1 1 49 49 GLN HE22 H 1 6.661 0.000 . 1 . . . A 46 GLN HE22 . 25881 1 517 . 1 1 49 49 GLN C C 13 175.304 0.000 . 1 . . . A 46 GLN C . 25881 1 518 . 1 1 49 49 GLN CA C 13 57.347 0.000 . 1 . . . A 46 GLN CA . 25881 1 519 . 1 1 49 49 GLN N N 15 125.043 0.025 . 1 . . . A 46 GLN N . 25881 1 520 . 1 1 49 49 GLN NE2 N 15 112.302 0.016 . 1 . . . A 46 GLN NE2 . 25881 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 25881 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_2 _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 14 '2D 1H-15N HSQC' . . . 25881 2 16 '2D 1H-13C HSQC aliphatic' . . . 25881 2 17 '2D 1H-13C HSQC aromatic' . . . 25881 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 . 1 1 2 2 PRO HA H 1 4.453 0.003 . 1 . . . A -1 PRO HA . 25881 2 2 . 1 1 2 2 PRO HB2 H 1 2.257 0.007 . 1 . . . A -1 PRO HB2 . 25881 2 3 . 1 1 2 2 PRO HB3 H 1 1.854 0.002 . 1 . . . A -1 PRO HB3 . 25881 2 4 . 1 1 2 2 PRO HG2 H 1 1.996 0.003 . 1 . . . A -1 PRO HG2 . 25881 2 5 . 1 1 2 2 PRO HG3 H 1 1.926 0.005 . 1 . . . A -1 PRO HG3 . 25881 2 6 . 1 1 2 2 PRO HD2 H 1 3.562 0.000 . 2 . . . A -1 PRO HD2 . 25881 2 7 . 1 1 2 2 PRO HD3 H 1 3.562 0.000 . 2 . . . A -1 PRO HD3 . 25881 2 8 . 1 1 2 2 PRO CA C 13 63.153 0.013 . 1 . . . A -1 PRO CA . 25881 2 9 . 1 1 2 2 PRO CB C 13 32.312 0.029 . 1 . . . A -1 PRO CB . 25881 2 10 . 1 1 2 2 PRO CG C 13 26.904 0.034 . 1 . . . A -1 PRO CG . 25881 2 11 . 1 1 2 2 PRO CD C 13 49.677 0.002 . 1 . . . A -1 PRO CD . 25881 2 12 . 1 1 4 4 MET HA H 1 4.142 0.001 . 1 . . . A 1 MET HA . 25881 2 13 . 1 1 4 4 MET HB2 H 1 2.298 0.001 . 2 . . . A 1 MET HB2 . 25881 2 14 . 1 1 4 4 MET HB3 H 1 2.298 0.001 . 2 . . . A 1 MET HB3 . 25881 2 15 . 1 1 4 4 MET HE1 H 1 2.084 0.001 . 1 . . . A 1 MET HE1 . 25881 2 16 . 1 1 4 4 MET HE2 H 1 2.084 0.001 . 1 . . . A 1 MET HE2 . 25881 2 17 . 1 1 4 4 MET HE3 H 1 2.084 0.001 . 1 . . . A 1 MET HE3 . 25881 2 18 . 1 1 4 4 MET CA C 13 57.47 0.018 . 1 . . . A 1 MET CA . 25881 2 19 . 1 1 4 4 MET CB C 13 34.341 0.018 . 1 . . . A 1 MET CB . 25881 2 20 . 1 1 4 4 MET CE C 13 17.041 0.024 . 1 . . . A 1 MET CE . 25881 2 21 . 1 1 5 5 VAL CA C 13 55.353 0.000 . 1 . . . A 2 VAL CA . 25881 2 22 . 1 1 5 5 VAL CB C 13 33.283 0.000 . 1 . . . A 2 VAL CB . 25881 2 23 . 1 1 6 6 SER H H 1 8.133 0.000 . 1 . . . A 3 SER H . 25881 2 24 . 1 1 6 6 SER HA H 1 4.475 0.000 . 1 . . . A 3 SER HA . 25881 2 25 . 1 1 6 6 SER CA C 13 62.447 0.000 . 1 . . . A 3 SER CA . 25881 2 26 . 1 1 6 6 SER N N 15 121.661 0.000 . 1 . . . A 3 SER N . 25881 2 27 . 1 1 8 8 ALA H H 1 8.191 0.000 . 1 . . . A 5 ALA H . 25881 2 28 . 1 1 8 8 ALA HA H 1 4.333 0.002 . 1 . . . A 5 ALA HA . 25881 2 29 . 1 1 8 8 ALA HB1 H 1 1.347 0.001 . 1 . . . A 5 ALA HB1 . 25881 2 30 . 1 1 8 8 ALA HB2 H 1 1.347 0.001 . 1 . . . A 5 ALA HB2 . 25881 2 31 . 1 1 8 8 ALA HB3 H 1 1.347 0.001 . 1 . . . A 5 ALA HB3 . 25881 2 32 . 1 1 8 8 ALA CA C 13 52.574 0.008 . 1 . . . A 5 ALA CA . 25881 2 33 . 1 1 8 8 ALA CB C 13 19.33 0.013 . 1 . . . A 5 ALA CB . 25881 2 34 . 1 1 8 8 ALA N N 15 125.911 0.000 . 1 . . . A 5 ALA N . 25881 2 35 . 1 1 9 9 VAL H H 1 7.916 0.001 . 1 . . . A 6 VAL H . 25881 2 36 . 1 1 9 9 VAL HA H 1 4.121 0.006 . 1 . . . A 6 VAL HA . 25881 2 37 . 1 1 9 9 VAL HB H 1 1.982 0.006 . 1 . . . A 6 VAL HB . 25881 2 38 . 1 1 9 9 VAL HG11 H 1 0.896 0.003 . 1 . . . A 6 VAL HG11 . 25881 2 39 . 1 1 9 9 VAL HG12 H 1 0.896 0.003 . 1 . . . A 6 VAL HG12 . 25881 2 40 . 1 1 9 9 VAL HG13 H 1 0.896 0.003 . 1 . . . A 6 VAL HG13 . 25881 2 41 . 1 1 9 9 VAL HG21 H 1 0.879 0.002 . 1 . . . A 6 VAL HG21 . 25881 2 42 . 1 1 9 9 VAL HG22 H 1 0.879 0.002 . 1 . . . A 6 VAL HG22 . 25881 2 43 . 1 1 9 9 VAL HG23 H 1 0.879 0.002 . 1 . . . A 6 VAL HG23 . 25881 2 44 . 1 1 9 9 VAL CA C 13 61.76 0.027 . 1 . . . A 6 VAL CA . 25881 2 45 . 1 1 9 9 VAL CB C 13 32.998 0.082 . 1 . . . A 6 VAL CB . 25881 2 46 . 1 1 9 9 VAL CG1 C 13 21.473 0.014 . 1 . . . A 6 VAL CG1 . 25881 2 47 . 1 1 9 9 VAL CG2 C 13 20.402 0.063 . 1 . . . A 6 VAL CG2 . 25881 2 48 . 1 1 9 9 VAL N N 15 118.597 0.029 . 1 . . . A 6 VAL N . 25881 2 49 . 1 1 10 10 LYS H H 1 8.08 0.007 . 1 . . . A 7 LYS H . 25881 2 50 . 1 1 10 10 LYS HA H 1 4.314 0.003 . 1 . . . A 7 LYS HA . 25881 2 51 . 1 1 10 10 LYS HB2 H 1 1.657 0.003 . 1 . . . A 7 LYS HB2 . 25881 2 52 . 1 1 10 10 LYS HB3 H 1 1.512 0.004 . 1 . . . A 7 LYS HB3 . 25881 2 53 . 1 1 10 10 LYS HG2 H 1 1.308 0.005 . 2 . . . A 7 LYS HG2 . 25881 2 54 . 1 1 10 10 LYS HG3 H 1 1.308 0.005 . 2 . . . A 7 LYS HG3 . 25881 2 55 . 1 1 10 10 LYS HD2 H 1 1.406 0.011 . 2 . . . A 7 LYS HD2 . 25881 2 56 . 1 1 10 10 LYS HD3 H 1 1.406 0.011 . 2 . . . A 7 LYS HD3 . 25881 2 57 . 1 1 10 10 LYS CA C 13 55.424 0.032 . 1 . . . A 7 LYS CA . 25881 2 58 . 1 1 10 10 LYS CB C 13 33.725 0.021 . 1 . . . A 7 LYS CB . 25881 2 59 . 1 1 10 10 LYS CG C 13 25.165 0.054 . 1 . . . A 7 LYS CG . 25881 2 60 . 1 1 10 10 LYS CD C 13 33.279 0.000 . 1 . . . A 7 LYS CD . 25881 2 61 . 1 1 10 10 LYS N N 15 123.783 0.011 . 1 . . . A 7 LYS N . 25881 2 62 . 1 1 11 11 CYS H H 1 8.622 0.001 . 1 . . . A 8 CYS H . 25881 2 63 . 1 1 11 11 CYS HA H 1 3.792 0.002 . 1 . . . A 8 CYS HA . 25881 2 64 . 1 1 11 11 CYS HB2 H 1 3.318 0.002 . 1 . . . A 8 CYS HB2 . 25881 2 65 . 1 1 11 11 CYS HB3 H 1 2.585 0.002 . 1 . . . A 8 CYS HB3 . 25881 2 66 . 1 1 11 11 CYS CA C 13 59.956 0.016 . 1 . . . A 8 CYS CA . 25881 2 67 . 1 1 11 11 CYS CB C 13 31.153 0.012 . 1 . . . A 8 CYS CB . 25881 2 68 . 1 1 11 11 CYS N N 15 121.553 0.005 . 1 . . . A 8 CYS N . 25881 2 69 . 1 1 12 12 GLY H H 1 9.457 0.002 . 1 . . . A 9 GLY H . 25881 2 70 . 1 1 12 12 GLY HA2 H 1 4.157 0.002 . 1 . . . A 9 GLY HA2 . 25881 2 71 . 1 1 12 12 GLY HA3 H 1 3.785 0.003 . 1 . . . A 9 GLY HA3 . 25881 2 72 . 1 1 12 12 GLY CA C 13 46.357 0.000 . 1 . . . A 9 GLY CA . 25881 2 73 . 1 1 12 12 GLY N N 15 118.658 0.007 . 1 . . . A 9 GLY N . 25881 2 74 . 1 1 13 13 ILE H H 1 9.113 0.002 . 1 . . . A 10 ILE H . 25881 2 75 . 1 1 13 13 ILE HA H 1 4.141 0.004 . 1 . . . A 10 ILE HA . 25881 2 76 . 1 1 13 13 ILE HB H 1 2.218 0.002 . 1 . . . A 10 ILE HB . 25881 2 77 . 1 1 13 13 ILE HG12 H 1 1.323 0.002 . 2 . . . A 10 ILE HG12 . 25881 2 78 . 1 1 13 13 ILE HG13 H 1 1.323 0.002 . 2 . . . A 10 ILE HG13 . 25881 2 79 . 1 1 13 13 ILE HG21 H 1 1.063 0.001 . 1 . . . A 10 ILE HG21 . 25881 2 80 . 1 1 13 13 ILE HG22 H 1 1.063 0.001 . 1 . . . A 10 ILE HG22 . 25881 2 81 . 1 1 13 13 ILE HG23 H 1 1.063 0.001 . 1 . . . A 10 ILE HG23 . 25881 2 82 . 1 1 13 13 ILE HD11 H 1 0.502 0.003 . 1 . . . A 10 ILE HD11 . 25881 2 83 . 1 1 13 13 ILE HD12 H 1 0.502 0.003 . 1 . . . A 10 ILE HD12 . 25881 2 84 . 1 1 13 13 ILE HD13 H 1 0.502 0.003 . 1 . . . A 10 ILE HD13 . 25881 2 85 . 1 1 13 13 ILE CA C 13 63.246 0.077 . 1 . . . A 10 ILE CA . 25881 2 86 . 1 1 13 13 ILE CB C 13 38.091 0.022 . 1 . . . A 10 ILE CB . 25881 2 87 . 1 1 13 13 ILE CG1 C 13 27.737 0.019 . 1 . . . A 10 ILE CG1 . 25881 2 88 . 1 1 13 13 ILE CG2 C 13 18.483 0.012 . 1 . . . A 10 ILE CG2 . 25881 2 89 . 1 1 13 13 ILE CD1 C 13 12.063 0.022 . 1 . . . A 10 ILE CD1 . 25881 2 90 . 1 1 13 13 ILE N N 15 123.066 0.004 . 1 . . . A 10 ILE N . 25881 2 91 . 1 1 14 14 CYS H H 1 8.591 0.002 . 1 . . . A 11 CYS H . 25881 2 92 . 1 1 14 14 CYS HA H 1 4.79 0.002 . 1 . . . A 11 CYS HA . 25881 2 93 . 1 1 14 14 CYS HB2 H 1 3.177 0.002 . 1 . . . A 11 CYS HB2 . 25881 2 94 . 1 1 14 14 CYS HB3 H 1 2.999 0.003 . 1 . . . A 11 CYS HB3 . 25881 2 95 . 1 1 14 14 CYS CA C 13 59.283 0.039 . 1 . . . A 11 CYS CA . 25881 2 96 . 1 1 14 14 CYS CB C 13 32.072 0.015 . 1 . . . A 11 CYS CB . 25881 2 97 . 1 1 14 14 CYS N N 15 118.474 0.003 . 1 . . . A 11 CYS N . 25881 2 98 . 1 1 15 15 ARG H H 1 7.42 0.002 . 1 . . . A 12 ARG H . 25881 2 99 . 1 1 15 15 ARG HA H 1 4.363 0.002 . 1 . . . A 12 ARG HA . 25881 2 100 . 1 1 15 15 ARG HB2 H 1 2.057 0.005 . 1 . . . A 12 ARG HB2 . 25881 2 101 . 1 1 15 15 ARG HB3 H 1 2.194 0.001 . 1 . . . A 12 ARG HB3 . 25881 2 102 . 1 1 15 15 ARG HG2 H 1 1.531 0.003 . 2 . . . A 12 ARG HG2 . 25881 2 103 . 1 1 15 15 ARG HG3 H 1 1.531 0.003 . 2 . . . A 12 ARG HG3 . 25881 2 104 . 1 1 15 15 ARG HD2 H 1 3.19 0.005 . 2 . . . A 12 ARG HD2 . 25881 2 105 . 1 1 15 15 ARG HD3 H 1 3.19 0.005 . 2 . . . A 12 ARG HD3 . 25881 2 106 . 1 1 15 15 ARG CA C 13 58.04 0.000 . 1 . . . A 12 ARG CA . 25881 2 107 . 1 1 15 15 ARG CB C 13 27.389 0.031 . 1 . . . A 12 ARG CB . 25881 2 108 . 1 1 15 15 ARG CG C 13 27.584 0.064 . 1 . . . A 12 ARG CG . 25881 2 109 . 1 1 15 15 ARG CD C 13 43.292 0.029 . 1 . . . A 12 ARG CD . 25881 2 110 . 1 1 15 15 ARG N N 15 116.377 0.009 . 1 . . . A 12 ARG N . 25881 2 111 . 1 1 16 16 GLY H H 1 8.87 0.002 . 1 . . . A 13 GLY H . 25881 2 112 . 1 1 16 16 GLY HA2 H 1 4.335 0.003 . 1 . . . A 13 GLY HA2 . 25881 2 113 . 1 1 16 16 GLY HA3 H 1 3.935 0.002 . 1 . . . A 13 GLY HA3 . 25881 2 114 . 1 1 16 16 GLY CA C 13 44.727 0.014 . 1 . . . A 13 GLY CA . 25881 2 115 . 1 1 16 16 GLY N N 15 109.566 0.003 . 1 . . . A 13 GLY N . 25881 2 116 . 1 1 17 17 VAL H H 1 7.31 0.001 . 1 . . . A 14 VAL H . 25881 2 117 . 1 1 17 17 VAL HA H 1 4.237 0.002 . 1 . . . A 14 VAL HA . 25881 2 118 . 1 1 17 17 VAL HB H 1 2.179 0.002 . 1 . . . A 14 VAL HB . 25881 2 119 . 1 1 17 17 VAL HG11 H 1 1.045 0.002 . 1 . . . A 14 VAL HG11 . 25881 2 120 . 1 1 17 17 VAL HG12 H 1 1.045 0.002 . 1 . . . A 14 VAL HG12 . 25881 2 121 . 1 1 17 17 VAL HG13 H 1 1.045 0.002 . 1 . . . A 14 VAL HG13 . 25881 2 122 . 1 1 17 17 VAL HG21 H 1 0.935 0.002 . 1 . . . A 14 VAL HG21 . 25881 2 123 . 1 1 17 17 VAL HG22 H 1 0.935 0.002 . 1 . . . A 14 VAL HG22 . 25881 2 124 . 1 1 17 17 VAL HG23 H 1 0.935 0.002 . 1 . . . A 14 VAL HG23 . 25881 2 125 . 1 1 17 17 VAL CA C 13 61.231 0.019 . 1 . . . A 14 VAL CA . 25881 2 126 . 1 1 17 17 VAL CB C 13 34.227 0.028 . 1 . . . A 14 VAL CB . 25881 2 127 . 1 1 17 17 VAL CG1 C 13 21.849 0.031 . 1 . . . A 14 VAL CG1 . 25881 2 128 . 1 1 17 17 VAL CG2 C 13 20.244 0.000 . 1 . . . A 14 VAL CG2 . 25881 2 129 . 1 1 17 17 VAL N N 15 114.553 0.005 . 1 . . . A 14 VAL N . 25881 2 130 . 1 1 18 18 ASP H H 1 8.288 0.003 . 1 . . . A 15 ASP H . 25881 2 131 . 1 1 18 18 ASP HA H 1 4.403 0.002 . 1 . . . A 15 ASP HA . 25881 2 132 . 1 1 18 18 ASP HB2 H 1 2.701 0.002 . 1 . . . A 15 ASP HB2 . 25881 2 133 . 1 1 18 18 ASP HB3 H 1 2.461 0.002 . 1 . . . A 15 ASP HB3 . 25881 2 134 . 1 1 18 18 ASP CA C 13 55.283 0.014 . 1 . . . A 15 ASP CA . 25881 2 135 . 1 1 18 18 ASP CB C 13 40.31 0.007 . 1 . . . A 15 ASP CB . 25881 2 136 . 1 1 18 18 ASP N N 15 120.828 0.001 . 1 . . . A 15 ASP N . 25881 2 137 . 1 1 19 19 GLY H H 1 8.734 0.002 . 1 . . . A 16 GLY H . 25881 2 138 . 1 1 19 19 GLY HA2 H 1 3.659 0.001 . 1 . . . A 16 GLY HA2 . 25881 2 139 . 1 1 19 19 GLY HA3 H 1 2.783 0.003 . 1 . . . A 16 GLY HA3 . 25881 2 140 . 1 1 19 19 GLY CA C 13 46.176 0.017 . 1 . . . A 16 GLY CA . 25881 2 141 . 1 1 19 19 GLY N N 15 109.526 0.006 . 1 . . . A 16 GLY N . 25881 2 142 . 1 1 20 20 LYS H H 1 7.403 0.002 . 1 . . . A 17 LYS H . 25881 2 143 . 1 1 20 20 LYS HA H 1 3.823 0.003 . 1 . . . A 17 LYS HA . 25881 2 144 . 1 1 20 20 LYS HB2 H 1 1.186 0.005 . 2 . . . A 17 LYS HB2 . 25881 2 145 . 1 1 20 20 LYS HB3 H 1 1.186 0.005 . 2 . . . A 17 LYS HB3 . 25881 2 146 . 1 1 20 20 LYS HG2 H 1 0.804 0.005 . 1 . . . A 17 LYS HG2 . 25881 2 147 . 1 1 20 20 LYS HG3 H 1 0.584 0.003 . 1 . . . A 17 LYS HG3 . 25881 2 148 . 1 1 20 20 LYS HD2 H 1 1.433 0.004 . 2 . . . A 17 LYS HD2 . 25881 2 149 . 1 1 20 20 LYS HD3 H 1 1.433 0.004 . 2 . . . A 17 LYS HD3 . 25881 2 150 . 1 1 20 20 LYS HE2 H 1 2.84 0.005 . 2 . . . A 17 LYS HE2 . 25881 2 151 . 1 1 20 20 LYS HE3 H 1 2.84 0.005 . 2 . . . A 17 LYS HE3 . 25881 2 152 . 1 1 20 20 LYS CA C 13 57.749 0.030 . 1 . . . A 17 LYS CA . 25881 2 153 . 1 1 20 20 LYS CB C 13 33.406 0.011 . 1 . . . A 17 LYS CB . 25881 2 154 . 1 1 20 20 LYS CG C 13 23.832 0.027 . 1 . . . A 17 LYS CG . 25881 2 155 . 1 1 20 20 LYS CD C 13 29.238 0.019 . 1 . . . A 17 LYS CD . 25881 2 156 . 1 1 20 20 LYS CE C 13 42.026 0.022 . 1 . . . A 17 LYS CE . 25881 2 157 . 1 1 20 20 LYS N N 15 121.934 0.011 . 1 . . . A 17 LYS N . 25881 2 158 . 1 1 21 21 TYR H H 1 7.755 0.001 . 1 . . . A 18 TYR H . 25881 2 159 . 1 1 21 21 TYR HA H 1 4.608 0.004 . 1 . . . A 18 TYR HA . 25881 2 160 . 1 1 21 21 TYR HB2 H 1 2.406 0.002 . 1 . . . A 18 TYR HB2 . 25881 2 161 . 1 1 21 21 TYR HB3 H 1 0.911 0.002 . 1 . . . A 18 TYR HB3 . 25881 2 162 . 1 1 21 21 TYR HD1 H 1 6.783 0.003 . 3 . . . A 18 TYR HD1 . 25881 2 163 . 1 1 21 21 TYR HE1 H 1 6.711 0.000 . 3 . . . A 18 TYR HE1 . 25881 2 164 . 1 1 21 21 TYR CB C 13 38.801 0.021 . 1 . . . A 18 TYR CB . 25881 2 165 . 1 1 21 21 TYR CD1 C 13 133.51 0.000 . 1 . . . A 18 TYR CD1 . 25881 2 166 . 1 1 21 21 TYR CE1 C 13 117.691 0.000 . 1 . . . A 18 TYR CE1 . 25881 2 167 . 1 1 21 21 TYR N N 15 119.08 0.007 . 1 . . . A 18 TYR N . 25881 2 168 . 1 1 22 22 LYS H H 1 8.453 0.001 . 1 . . . A 19 LYS H . 25881 2 169 . 1 1 22 22 LYS HA H 1 5.091 0.002 . 1 . . . A 19 LYS HA . 25881 2 170 . 1 1 22 22 LYS HB2 H 1 1.673 0.003 . 1 . . . A 19 LYS HB2 . 25881 2 171 . 1 1 22 22 LYS HB3 H 1 1.449 0.003 . 1 . . . A 19 LYS HB3 . 25881 2 172 . 1 1 22 22 LYS HG2 H 1 1.231 0.009 . 1 . . . A 19 LYS HG2 . 25881 2 173 . 1 1 22 22 LYS HG3 H 1 1.131 0.010 . 1 . . . A 19 LYS HG3 . 25881 2 174 . 1 1 22 22 LYS HD2 H 1 1.634 0.000 . 2 . . . A 19 LYS HD2 . 25881 2 175 . 1 1 22 22 LYS HD3 H 1 1.634 0.000 . 2 . . . A 19 LYS HD3 . 25881 2 176 . 1 1 22 22 LYS HE2 H 1 2.999 0.001 . 2 . . . A 19 LYS HE2 . 25881 2 177 . 1 1 22 22 LYS HE3 H 1 2.999 0.001 . 2 . . . A 19 LYS HE3 . 25881 2 178 . 1 1 22 22 LYS CA C 13 54.701 0.025 . 1 . . . A 19 LYS CA . 25881 2 179 . 1 1 22 22 LYS CB C 13 36.085 0.047 . 1 . . . A 19 LYS CB . 25881 2 180 . 1 1 22 22 LYS CG C 13 24.793 0.024 . 1 . . . A 19 LYS CG . 25881 2 181 . 1 1 22 22 LYS CD C 13 29.747 0.076 . 1 . . . A 19 LYS CD . 25881 2 182 . 1 1 22 22 LYS CE C 13 42.133 0.003 . 1 . . . A 19 LYS CE . 25881 2 183 . 1 1 22 22 LYS N N 15 120.09 0.015 . 1 . . . A 19 LYS N . 25881 2 184 . 1 1 23 23 CYS H H 1 9.486 0.003 . 1 . . . A 20 CYS H . 25881 2 185 . 1 1 23 23 CYS HA H 1 5.082 0.000 . 1 . . . A 20 CYS HA . 25881 2 186 . 1 1 23 23 CYS HB2 H 1 3.58 0.002 . 1 . . . A 20 CYS HB2 . 25881 2 187 . 1 1 23 23 CYS HB3 H 1 3.021 0.002 . 1 . . . A 20 CYS HB3 . 25881 2 188 . 1 1 23 23 CYS CA C 13 57.419 0.011 . 1 . . . A 20 CYS CA . 25881 2 189 . 1 1 23 23 CYS CB C 13 31.04 0.042 . 1 . . . A 20 CYS CB . 25881 2 190 . 1 1 23 23 CYS N N 15 130.879 0.003 . 1 . . . A 20 CYS N . 25881 2 191 . 1 1 24 24 PRO HA H 1 4.55 0.007 . 1 . . . A 21 PRO HA . 25881 2 192 . 1 1 24 24 PRO HB2 H 1 2.458 0.002 . 1 . . . A 21 PRO HB2 . 25881 2 193 . 1 1 24 24 PRO HB3 H 1 2.112 0.006 . 1 . . . A 21 PRO HB3 . 25881 2 194 . 1 1 24 24 PRO HG2 H 1 2.236 0.003 . 1 . . . A 21 PRO HG2 . 25881 2 195 . 1 1 24 24 PRO HG3 H 1 2.153 0.004 . 1 . . . A 21 PRO HG3 . 25881 2 196 . 1 1 24 24 PRO HD2 H 1 4.359 0.002 . 1 . . . A 21 PRO HD2 . 25881 2 197 . 1 1 24 24 PRO HD3 H 1 4.52 0.004 . 1 . . . A 21 PRO HD3 . 25881 2 198 . 1 1 24 24 PRO CA C 13 64.563 0.045 . 1 . . . A 21 PRO CA . 25881 2 199 . 1 1 24 24 PRO CB C 13 32.463 0.026 . 1 . . . A 21 PRO CB . 25881 2 200 . 1 1 24 24 PRO CG C 13 27.247 0.020 . 1 . . . A 21 PRO CG . 25881 2 201 . 1 1 24 24 PRO CD C 13 51.902 0.038 . 1 . . . A 21 PRO CD . 25881 2 202 . 1 1 25 25 LYS H H 1 8.675 0.001 . 1 . . . A 22 LYS H . 25881 2 203 . 1 1 25 25 LYS HA H 1 4.352 0.005 . 1 . . . A 22 LYS HA . 25881 2 204 . 1 1 25 25 LYS HB2 H 1 1.401 0.001 . 2 . . . A 22 LYS HB2 . 25881 2 205 . 1 1 25 25 LYS HB3 H 1 1.401 0.001 . 2 . . . A 22 LYS HB3 . 25881 2 206 . 1 1 25 25 LYS HG2 H 1 1.217 0.011 . 1 . . . A 22 LYS HG2 . 25881 2 207 . 1 1 25 25 LYS HG3 H 1 1.107 0.003 . 1 . . . A 22 LYS HG3 . 25881 2 208 . 1 1 25 25 LYS HD2 H 1 1.387 0.004 . 2 . . . A 22 LYS HD2 . 25881 2 209 . 1 1 25 25 LYS HD3 H 1 1.387 0.004 . 2 . . . A 22 LYS HD3 . 25881 2 210 . 1 1 25 25 LYS CA C 13 57.773 0.040 . 1 . . . A 22 LYS CA . 25881 2 211 . 1 1 25 25 LYS CB C 13 33.292 0.000 . 1 . . . A 22 LYS CB . 25881 2 212 . 1 1 25 25 LYS CG C 13 24.944 0.070 . 1 . . . A 22 LYS CG . 25881 2 213 . 1 1 25 25 LYS CD C 13 28.501 0.042 . 1 . . . A 22 LYS CD . 25881 2 214 . 1 1 25 25 LYS N N 15 120.173 0.006 . 1 . . . A 22 LYS N . 25881 2 215 . 1 1 26 26 CYS H H 1 8.022 0.003 . 1 . . . A 23 CYS H . 25881 2 216 . 1 1 26 26 CYS HA H 1 5.135 0.001 . 1 . . . A 23 CYS HA . 25881 2 217 . 1 1 26 26 CYS HB2 H 1 3.505 0.003 . 1 . . . A 23 CYS HB2 . 25881 2 218 . 1 1 26 26 CYS HB3 H 1 2.814 0.003 . 1 . . . A 23 CYS HB3 . 25881 2 219 . 1 1 26 26 CYS CA C 13 58.343 0.008 . 1 . . . A 23 CYS CA . 25881 2 220 . 1 1 26 26 CYS CB C 13 32.61 0.012 . 1 . . . A 23 CYS CB . 25881 2 221 . 1 1 26 26 CYS N N 15 115.641 0.037 . 1 . . . A 23 CYS N . 25881 2 222 . 1 1 27 27 GLY H H 1 8.109 0.001 . 1 . . . A 24 GLY H . 25881 2 223 . 1 1 27 27 GLY HA2 H 1 4.3 0.002 . 1 . . . A 24 GLY HA2 . 25881 2 224 . 1 1 27 27 GLY HA3 H 1 3.854 0.002 . 1 . . . A 24 GLY HA3 . 25881 2 225 . 1 1 27 27 GLY CA C 13 46.331 0.000 . 1 . . . A 24 GLY CA . 25881 2 226 . 1 1 27 27 GLY N N 15 112.972 0.006 . 1 . . . A 24 GLY N . 25881 2 227 . 1 1 28 28 VAL H H 1 8.445 0.002 . 1 . . . A 25 VAL H . 25881 2 228 . 1 1 28 28 VAL HA H 1 4.139 0.002 . 1 . . . A 25 VAL HA . 25881 2 229 . 1 1 28 28 VAL HB H 1 2.351 0.001 . 1 . . . A 25 VAL HB . 25881 2 230 . 1 1 28 28 VAL HG11 H 1 0.618 0.001 . 1 . . . A 25 VAL HG11 . 25881 2 231 . 1 1 28 28 VAL HG12 H 1 0.618 0.001 . 1 . . . A 25 VAL HG12 . 25881 2 232 . 1 1 28 28 VAL HG13 H 1 0.618 0.001 . 1 . . . A 25 VAL HG13 . 25881 2 233 . 1 1 28 28 VAL HG21 H 1 1.197 0.002 . 1 . . . A 25 VAL HG21 . 25881 2 234 . 1 1 28 28 VAL HG22 H 1 1.197 0.002 . 1 . . . A 25 VAL HG22 . 25881 2 235 . 1 1 28 28 VAL HG23 H 1 1.197 0.002 . 1 . . . A 25 VAL HG23 . 25881 2 236 . 1 1 28 28 VAL CA C 13 63.247 0.045 . 1 . . . A 25 VAL CA . 25881 2 237 . 1 1 28 28 VAL CB C 13 32.154 0.025 . 1 . . . A 25 VAL CB . 25881 2 238 . 1 1 28 28 VAL CG1 C 13 21.087 0.012 . 1 . . . A 25 VAL CG1 . 25881 2 239 . 1 1 28 28 VAL CG2 C 13 22.865 0.011 . 1 . . . A 25 VAL CG2 . 25881 2 240 . 1 1 28 28 VAL N N 15 123.826 0.007 . 1 . . . A 25 VAL N . 25881 2 241 . 1 1 29 29 ARG H H 1 8.456 0.002 . 1 . . . A 26 ARG H . 25881 2 242 . 1 1 29 29 ARG HA H 1 5.399 0.002 . 1 . . . A 26 ARG HA . 25881 2 243 . 1 1 29 29 ARG HB2 H 1 1.904 0.001 . 1 . . . A 26 ARG HB2 . 25881 2 244 . 1 1 29 29 ARG HB3 H 1 1.738 0.000 . 1 . . . A 26 ARG HB3 . 25881 2 245 . 1 1 29 29 ARG HG2 H 1 1.732 0.002 . 1 . . . A 26 ARG HG2 . 25881 2 246 . 1 1 29 29 ARG HG3 H 1 1.618 0.006 . 1 . . . A 26 ARG HG3 . 25881 2 247 . 1 1 29 29 ARG HD2 H 1 3.204 0.005 . 1 . . . A 26 ARG HD2 . 25881 2 248 . 1 1 29 29 ARG HD3 H 1 3.082 0.003 . 1 . . . A 26 ARG HD3 . 25881 2 249 . 1 1 29 29 ARG CA C 13 53.748 0.018 . 1 . . . A 26 ARG CA . 25881 2 250 . 1 1 29 29 ARG CB C 13 29.648 0.006 . 1 . . . A 26 ARG CB . 25881 2 251 . 1 1 29 29 ARG CG C 13 27.664 0.042 . 1 . . . A 26 ARG CG . 25881 2 252 . 1 1 29 29 ARG CD C 13 42.187 0.032 . 1 . . . A 26 ARG CD . 25881 2 253 . 1 1 29 29 ARG N N 15 125.648 0.010 . 1 . . . A 26 ARG N . 25881 2 254 . 1 1 30 30 TYR H H 1 8.777 0.002 . 1 . . . A 27 TYR H . 25881 2 255 . 1 1 30 30 TYR HA H 1 6.825 0.002 . 1 . . . A 27 TYR HA . 25881 2 256 . 1 1 30 30 TYR HB2 H 1 2.865 0.004 . 1 . . . A 27 TYR HB2 . 25881 2 257 . 1 1 30 30 TYR HB3 H 1 2.738 0.002 . 1 . . . A 27 TYR HB3 . 25881 2 258 . 1 1 30 30 TYR HD1 H 1 7.099 0.002 . 3 . . . A 27 TYR HD1 . 25881 2 259 . 1 1 30 30 TYR HE1 H 1 6.177 0.005 . 3 . . . A 27 TYR HE1 . 25881 2 260 . 1 1 30 30 TYR CA C 13 55.63 0.003 . 1 . . . A 27 TYR CA . 25881 2 261 . 1 1 30 30 TYR CB C 13 42.038 0.030 . 1 . . . A 27 TYR CB . 25881 2 262 . 1 1 30 30 TYR CD1 C 13 133.997 0.000 . 1 . . . A 27 TYR CD1 . 25881 2 263 . 1 1 30 30 TYR CE1 C 13 118.415 0.000 . 1 . . . A 27 TYR CE1 . 25881 2 264 . 1 1 30 30 TYR N N 15 117.861 0.011 . 1 . . . A 27 TYR N . 25881 2 265 . 1 1 31 31 CYS H H 1 8.98 0.003 . 1 . . . A 28 CYS H . 25881 2 266 . 1 1 31 31 CYS HA H 1 5.016 0.001 . 1 . . . A 28 CYS HA . 25881 2 267 . 1 1 31 31 CYS HB2 H 1 3.25 0.002 . 1 . . . A 28 CYS HB2 . 25881 2 268 . 1 1 31 31 CYS HB3 H 1 2.723 0.004 . 1 . . . A 28 CYS HB3 . 25881 2 269 . 1 1 31 31 CYS CA C 13 58.854 0.017 . 1 . . . A 28 CYS CA . 25881 2 270 . 1 1 31 31 CYS CB C 13 34.903 0.000 . 1 . . . A 28 CYS CB . 25881 2 271 . 1 1 31 31 CYS N N 15 118.826 0.004 . 1 . . . A 28 CYS N . 25881 2 272 . 1 1 32 32 SER H H 1 7.553 0.000 . 1 . . . A 29 SER H . 25881 2 273 . 1 1 32 32 SER HA H 1 5.028 0.004 . 1 . . . A 29 SER HA . 25881 2 274 . 1 1 32 32 SER HB2 H 1 4.404 0.003 . 1 . . . A 29 SER HB2 . 25881 2 275 . 1 1 32 32 SER HB3 H 1 4.244 0.003 . 1 . . . A 29 SER HB3 . 25881 2 276 . 1 1 32 32 SER CA C 13 57.442 0.018 . 1 . . . A 29 SER CA . 25881 2 277 . 1 1 32 32 SER CB C 13 65.234 0.056 . 1 . . . A 29 SER CB . 25881 2 278 . 1 1 32 32 SER N N 15 114.256 0.008 . 1 . . . A 29 SER N . 25881 2 279 . 1 1 33 33 LEU HA H 1 4.189 0.007 . 1 . . . A 30 LEU HA . 25881 2 280 . 1 1 33 33 LEU HB2 H 1 1.755 0.007 . 1 . . . A 30 LEU HB2 . 25881 2 281 . 1 1 33 33 LEU HB3 H 1 1.665 0.005 . 1 . . . A 30 LEU HB3 . 25881 2 282 . 1 1 33 33 LEU HG H 1 1.695 0.010 . 1 . . . A 30 LEU HG . 25881 2 283 . 1 1 33 33 LEU HD11 H 1 0.93 0.007 . 1 . . . A 30 LEU HD11 . 25881 2 284 . 1 1 33 33 LEU HD12 H 1 0.93 0.007 . 1 . . . A 30 LEU HD12 . 25881 2 285 . 1 1 33 33 LEU HD13 H 1 0.93 0.007 . 1 . . . A 30 LEU HD13 . 25881 2 286 . 1 1 33 33 LEU HD21 H 1 0.83 0.006 . 1 . . . A 30 LEU HD21 . 25881 2 287 . 1 1 33 33 LEU HD22 H 1 0.83 0.006 . 1 . . . A 30 LEU HD22 . 25881 2 288 . 1 1 33 33 LEU HD23 H 1 0.83 0.006 . 1 . . . A 30 LEU HD23 . 25881 2 289 . 1 1 33 33 LEU CA C 13 57.598 0.020 . 1 . . . A 30 LEU CA . 25881 2 290 . 1 1 33 33 LEU CB C 13 41.382 0.027 . 1 . . . A 30 LEU CB . 25881 2 291 . 1 1 33 33 LEU CG C 13 27.183 0.000 . 1 . . . A 30 LEU CG . 25881 2 292 . 1 1 33 33 LEU CD1 C 13 24.228 0.031 . 1 . . . A 30 LEU CD1 . 25881 2 293 . 1 1 33 33 LEU CD2 C 13 24.035 0.039 . 1 . . . A 30 LEU CD2 . 25881 2 294 . 1 1 34 34 LYS H H 1 8.073 0.001 . 1 . . . A 31 LYS H . 25881 2 295 . 1 1 34 34 LYS HA H 1 3.948 0.004 . 1 . . . A 31 LYS HA . 25881 2 296 . 1 1 34 34 LYS HB2 H 1 1.911 0.011 . 2 . . . A 31 LYS HB2 . 25881 2 297 . 1 1 34 34 LYS HB3 H 1 1.911 0.011 . 2 . . . A 31 LYS HB3 . 25881 2 298 . 1 1 34 34 LYS HG2 H 1 1.514 0.007 . 1 . . . A 31 LYS HG2 . 25881 2 299 . 1 1 34 34 LYS HG3 H 1 1.423 0.009 . 1 . . . A 31 LYS HG3 . 25881 2 300 . 1 1 34 34 LYS HD2 H 1 1.709 0.000 . 2 . . . A 31 LYS HD2 . 25881 2 301 . 1 1 34 34 LYS HD3 H 1 1.709 0.000 . 2 . . . A 31 LYS HD3 . 25881 2 302 . 1 1 34 34 LYS HE2 H 1 3.036 0.002 . 2 . . . A 31 LYS HE2 . 25881 2 303 . 1 1 34 34 LYS HE3 H 1 3.036 0.002 . 2 . . . A 31 LYS HE3 . 25881 2 304 . 1 1 34 34 LYS CA C 13 59.967 0.004 . 1 . . . A 31 LYS CA . 25881 2 305 . 1 1 34 34 LYS CB C 13 32.042 0.020 . 1 . . . A 31 LYS CB . 25881 2 306 . 1 1 34 34 LYS CG C 13 24.641 0.045 . 1 . . . A 31 LYS CG . 25881 2 307 . 1 1 34 34 LYS CE C 13 42.416 0.000 . 1 . . . A 31 LYS CE . 25881 2 308 . 1 1 34 34 LYS N N 15 118.571 0.001 . 1 . . . A 31 LYS N . 25881 2 309 . 1 1 35 35 CYS H H 1 7.521 0.004 . 1 . . . A 32 CYS H . 25881 2 310 . 1 1 35 35 CYS HA H 1 4.151 0.001 . 1 . . . A 32 CYS HA . 25881 2 311 . 1 1 35 35 CYS HB2 H 1 3.061 0.004 . 1 . . . A 32 CYS HB2 . 25881 2 312 . 1 1 35 35 CYS HB3 H 1 2.865 0.005 . 1 . . . A 32 CYS HB3 . 25881 2 313 . 1 1 35 35 CYS CA C 13 65.71 0.014 . 1 . . . A 32 CYS CA . 25881 2 314 . 1 1 35 35 CYS CB C 13 29.862 0.038 . 1 . . . A 32 CYS CB . 25881 2 315 . 1 1 35 35 CYS N N 15 118.879 0.003 . 1 . . . A 32 CYS N . 25881 2 316 . 1 1 36 36 TYR H H 1 8.033 0.001 . 1 . . . A 33 TYR H . 25881 2 317 . 1 1 36 36 TYR HA H 1 3.278 0.003 . 1 . . . A 33 TYR HA . 25881 2 318 . 1 1 36 36 TYR HB2 H 1 2.971 0.003 . 1 . . . A 33 TYR HB2 . 25881 2 319 . 1 1 36 36 TYR HB3 H 1 2.561 0.001 . 1 . . . A 33 TYR HB3 . 25881 2 320 . 1 1 36 36 TYR HD1 H 1 6.176 0.003 . 3 . . . A 33 TYR HD1 . 25881 2 321 . 1 1 36 36 TYR HE1 H 1 6.932 0.006 . 3 . . . A 33 TYR HE1 . 25881 2 322 . 1 1 36 36 TYR CA C 13 61.297 0.004 . 1 . . . A 33 TYR CA . 25881 2 323 . 1 1 36 36 TYR CB C 13 39.012 0.023 . 1 . . . A 33 TYR CB . 25881 2 324 . 1 1 36 36 TYR CD1 C 13 132.928 0.000 . 1 . . . A 33 TYR CD1 . 25881 2 325 . 1 1 36 36 TYR CE1 C 13 118.536 0.000 . 1 . . . A 33 TYR CE1 . 25881 2 326 . 1 1 36 36 TYR N N 15 118.172 0.011 . 1 . . . A 33 TYR N . 25881 2 327 . 1 1 37 37 LYS H H 1 8.047 0.003 . 1 . . . A 34 LYS H . 25881 2 328 . 1 1 37 37 LYS HA H 1 4.091 0.002 . 1 . . . A 34 LYS HA . 25881 2 329 . 1 1 37 37 LYS HB2 H 1 2.119 0.005 . 1 . . . A 34 LYS HB2 . 25881 2 330 . 1 1 37 37 LYS HB3 H 1 1.809 0.005 . 1 . . . A 34 LYS HB3 . 25881 2 331 . 1 1 37 37 LYS HG2 H 1 1.724 0.005 . 1 . . . A 34 LYS HG2 . 25881 2 332 . 1 1 37 37 LYS HG3 H 1 1.542 0.003 . 1 . . . A 34 LYS HG3 . 25881 2 333 . 1 1 37 37 LYS HD2 H 1 1.721 0.000 . 2 . . . A 34 LYS HD2 . 25881 2 334 . 1 1 37 37 LYS HD3 H 1 1.721 0.000 . 2 . . . A 34 LYS HD3 . 25881 2 335 . 1 1 37 37 LYS CA C 13 56.06 0.009 . 1 . . . A 34 LYS CA . 25881 2 336 . 1 1 37 37 LYS CB C 13 32.264 0.085 . 1 . . . A 34 LYS CB . 25881 2 337 . 1 1 37 37 LYS CG C 13 25.633 0.025 . 1 . . . A 34 LYS CG . 25881 2 338 . 1 1 37 37 LYS CD C 13 29.276 0.000 . 1 . . . A 34 LYS CD . 25881 2 339 . 1 1 37 37 LYS N N 15 114.685 0.006 . 1 . . . A 34 LYS N . 25881 2 340 . 1 1 38 38 ASP H H 1 7.253 0.001 . 1 . . . A 35 ASP H . 25881 2 341 . 1 1 38 38 ASP HA H 1 4.455 0.002 . 1 . . . A 35 ASP HA . 25881 2 342 . 1 1 38 38 ASP HB2 H 1 3.093 0.003 . 1 . . . A 35 ASP HB2 . 25881 2 343 . 1 1 38 38 ASP HB3 H 1 2.669 0.003 . 1 . . . A 35 ASP HB3 . 25881 2 344 . 1 1 38 38 ASP CA C 13 54.627 0.014 . 1 . . . A 35 ASP CA . 25881 2 345 . 1 1 38 38 ASP CB C 13 40.643 0.020 . 1 . . . A 35 ASP CB . 25881 2 346 . 1 1 38 38 ASP N N 15 121.317 0.004 . 1 . . . A 35 ASP N . 25881 2 347 . 1 1 39 39 ALA H H 1 8.127 0.002 . 1 . . . A 36 ALA H . 25881 2 348 . 1 1 39 39 ALA HA H 1 4.05 0.001 . 1 . . . A 36 ALA HA . 25881 2 349 . 1 1 39 39 ALA HB1 H 1 1.395 0.001 . 1 . . . A 36 ALA HB1 . 25881 2 350 . 1 1 39 39 ALA HB2 H 1 1.395 0.001 . 1 . . . A 36 ALA HB2 . 25881 2 351 . 1 1 39 39 ALA HB3 H 1 1.395 0.001 . 1 . . . A 36 ALA HB3 . 25881 2 352 . 1 1 39 39 ALA CA C 13 53.62 0.019 . 1 . . . A 36 ALA CA . 25881 2 353 . 1 1 39 39 ALA CB C 13 18.908 0.022 . 1 . . . A 36 ALA CB . 25881 2 354 . 1 1 39 39 ALA N N 15 130.374 0.024 . 1 . . . A 36 ALA N . 25881 2 355 . 1 1 40 40 ALA H H 1 7.972 0.001 . 1 . . . A 37 ALA H . 25881 2 356 . 1 1 40 40 ALA HA H 1 4.249 0.001 . 1 . . . A 37 ALA HA . 25881 2 357 . 1 1 40 40 ALA HB1 H 1 1.435 0.001 . 1 . . . A 37 ALA HB1 . 25881 2 358 . 1 1 40 40 ALA HB2 H 1 1.435 0.001 . 1 . . . A 37 ALA HB2 . 25881 2 359 . 1 1 40 40 ALA HB3 H 1 1.435 0.001 . 1 . . . A 37 ALA HB3 . 25881 2 360 . 1 1 40 40 ALA CA C 13 53.327 0.023 . 1 . . . A 37 ALA CA . 25881 2 361 . 1 1 40 40 ALA CB C 13 19.336 0.008 . 1 . . . A 37 ALA CB . 25881 2 362 . 1 1 40 40 ALA N N 15 117.342 0.002 . 1 . . . A 37 ALA N . 25881 2 363 . 1 1 41 41 LYS H H 1 7.459 0.002 . 1 . . . A 38 LYS H . 25881 2 364 . 1 1 41 41 LYS HA H 1 4.455 0.003 . 1 . . . A 38 LYS HA . 25881 2 365 . 1 1 41 41 LYS HB2 H 1 1.963 0.005 . 1 . . . A 38 LYS HB2 . 25881 2 366 . 1 1 41 41 LYS HB3 H 1 1.467 0.002 . 1 . . . A 38 LYS HB3 . 25881 2 367 . 1 1 41 41 LYS HG2 H 1 1.436 0.007 . 1 . . . A 38 LYS HG2 . 25881 2 368 . 1 1 41 41 LYS HG3 H 1 1.329 0.004 . 1 . . . A 38 LYS HG3 . 25881 2 369 . 1 1 41 41 LYS HD2 H 1 1.724 0.000 . 1 . . . A 38 LYS HD2 . 25881 2 370 . 1 1 41 41 LYS HD3 H 1 1.645 0.000 . 1 . . . A 38 LYS HD3 . 25881 2 371 . 1 1 41 41 LYS CA C 13 56.371 0.012 . 1 . . . A 38 LYS CA . 25881 2 372 . 1 1 41 41 LYS CB C 13 36.257 0.018 . 1 . . . A 38 LYS CB . 25881 2 373 . 1 1 41 41 LYS CG C 13 25.599 0.042 . 1 . . . A 38 LYS CG . 25881 2 374 . 1 1 41 41 LYS CD C 13 29.27 0.006 . 1 . . . A 38 LYS CD . 25881 2 375 . 1 1 41 41 LYS N N 15 114.215 0.007 . 1 . . . A 38 LYS N . 25881 2 376 . 1 1 42 42 HIS H H 1 8.496 0.002 . 1 . . . A 39 HIS H . 25881 2 377 . 1 1 42 42 HIS HA H 1 4.905 0.003 . 1 . . . A 39 HIS HA . 25881 2 378 . 1 1 42 42 HIS HB2 H 1 3.151 0.003 . 1 . . . A 39 HIS HB2 . 25881 2 379 . 1 1 42 42 HIS HB3 H 1 2.504 0.004 . 1 . . . A 39 HIS HB3 . 25881 2 380 . 1 1 42 42 HIS HD2 H 1 6.727 0.001 . 1 . . . A 39 HIS HD2 . 25881 2 381 . 1 1 42 42 HIS HE1 H 1 7.267 0.001 . 1 . . . A 39 HIS HE1 . 25881 2 382 . 1 1 42 42 HIS CA C 13 52.909 0.029 . 1 . . . A 39 HIS CA . 25881 2 383 . 1 1 42 42 HIS CB C 13 27.827 0.030 . 1 . . . A 39 HIS CB . 25881 2 384 . 1 1 42 42 HIS CD2 C 13 124.262 0.000 . 1 . . . A 39 HIS CD2 . 25881 2 385 . 1 1 42 42 HIS CE1 C 13 138.174 0.000 . 1 . . . A 39 HIS CE1 . 25881 2 386 . 1 1 42 42 HIS N N 15 122.071 0.013 . 1 . . . A 39 HIS N . 25881 2 387 . 1 1 42 42 HIS ND1 N 15 171.518 0.038 . 1 . . . A 39 HIS ND1 . 25881 2 388 . 1 1 42 42 HIS NE2 N 15 215.996 0.011 . 1 . . . A 39 HIS NE2 . 25881 2 389 . 1 1 43 43 VAL H H 1 7.86 0.003 . 1 . . . A 40 VAL H . 25881 2 390 . 1 1 43 43 VAL HA H 1 3.906 0.003 . 1 . . . A 40 VAL HA . 25881 2 391 . 1 1 43 43 VAL HB H 1 1.863 0.002 . 1 . . . A 40 VAL HB . 25881 2 392 . 1 1 43 43 VAL HG11 H 1 0.779 0.008 . 1 . . . A 40 VAL HG11 . 25881 2 393 . 1 1 43 43 VAL HG12 H 1 0.779 0.008 . 1 . . . A 40 VAL HG12 . 25881 2 394 . 1 1 43 43 VAL HG13 H 1 0.779 0.008 . 1 . . . A 40 VAL HG13 . 25881 2 395 . 1 1 43 43 VAL HG21 H 1 0.739 0.002 . 1 . . . A 40 VAL HG21 . 25881 2 396 . 1 1 43 43 VAL HG22 H 1 0.739 0.002 . 1 . . . A 40 VAL HG22 . 25881 2 397 . 1 1 43 43 VAL HG23 H 1 0.739 0.002 . 1 . . . A 40 VAL HG23 . 25881 2 398 . 1 1 43 43 VAL CA C 13 61.295 0.010 . 1 . . . A 40 VAL CA . 25881 2 399 . 1 1 43 43 VAL CB C 13 34.259 0.025 . 1 . . . A 40 VAL CB . 25881 2 400 . 1 1 43 43 VAL CG1 C 13 21.137 0.027 . 1 . . . A 40 VAL CG1 . 25881 2 401 . 1 1 43 43 VAL CG2 C 13 20.663 0.017 . 1 . . . A 40 VAL CG2 . 25881 2 402 . 1 1 43 43 VAL N N 15 123.322 0.012 . 1 . . . A 40 VAL N . 25881 2 403 . 1 1 44 44 HIS HA H 1 5.017 0.004 . 1 . . . A 41 HIS HA . 25881 2 404 . 1 1 44 44 HIS HB2 H 1 3.047 0.006 . 1 . . . A 41 HIS HB2 . 25881 2 405 . 1 1 44 44 HIS HB3 H 1 2.896 0.002 . 1 . . . A 41 HIS HB3 . 25881 2 406 . 1 1 44 44 HIS HD2 H 1 6.768 0.001 . 1 . . . A 41 HIS HD2 . 25881 2 407 . 1 1 44 44 HIS HE1 H 1 7.52 0.000 . 1 . . . A 41 HIS HE1 . 25881 2 408 . 1 1 44 44 HIS CA C 13 53.165 0.043 . 1 . . . A 41 HIS CA . 25881 2 409 . 1 1 44 44 HIS CB C 13 30.178 0.045 . 1 . . . A 41 HIS CB . 25881 2 410 . 1 1 44 44 HIS CD2 C 13 125.045 0.000 . 1 . . . A 41 HIS CD2 . 25881 2 411 . 1 1 44 44 HIS CE1 C 13 138.637 0.000 . 1 . . . A 41 HIS CE1 . 25881 2 412 . 1 1 44 44 HIS ND1 N 15 173.229 0.018 . 1 . . . A 41 HIS ND1 . 25881 2 413 . 1 1 44 44 HIS NE2 N 15 212.139 0.050 . 1 . . . A 41 HIS NE2 . 25881 2 414 . 1 1 46 46 GLU H H 1 8.635 0.000 . 1 . . . A 43 GLU H . 25881 2 415 . 1 1 46 46 GLU HA H 1 4.291 0.004 . 1 . . . A 43 GLU HA . 25881 2 416 . 1 1 46 46 GLU HB2 H 1 2.078 0.000 . 1 . . . A 43 GLU HB2 . 25881 2 417 . 1 1 46 46 GLU HB3 H 1 1.946 0.003 . 1 . . . A 43 GLU HB3 . 25881 2 418 . 1 1 46 46 GLU HG2 H 1 2.276 0.002 . 2 . . . A 43 GLU HG2 . 25881 2 419 . 1 1 46 46 GLU HG3 H 1 2.276 0.002 . 2 . . . A 43 GLU HG3 . 25881 2 420 . 1 1 46 46 GLU CA C 13 57.086 0.070 . 1 . . . A 43 GLU CA . 25881 2 421 . 1 1 46 46 GLU CB C 13 30.165 0.002 . 1 . . . A 43 GLU CB . 25881 2 422 . 1 1 46 46 GLU CG C 13 36.327 0.015 . 1 . . . A 43 GLU CG . 25881 2 423 . 1 1 46 46 GLU N N 15 122.521 0.000 . 1 . . . A 43 GLU N . 25881 2 424 . 1 1 47 47 SER H H 1 8.17 0.000 . 1 . . . A 44 SER H . 25881 2 425 . 1 1 47 47 SER HA H 1 4.434 0.002 . 1 . . . A 44 SER HA . 25881 2 426 . 1 1 47 47 SER CA C 13 58.392 0.014 . 1 . . . A 44 SER CA . 25881 2 427 . 1 1 47 47 SER N N 15 115.264 0.000 . 1 . . . A 44 SER N . 25881 2 428 . 1 1 48 48 GLU H H 1 8.291 0.002 . 1 . . . A 45 GLU H . 25881 2 429 . 1 1 48 48 GLU HA H 1 4.323 0.000 . 1 . . . A 45 GLU HA . 25881 2 430 . 1 1 48 48 GLU HB2 H 1 2.06 0.000 . 1 . . . A 45 GLU HB2 . 25881 2 431 . 1 1 48 48 GLU HB3 H 1 1.931 0.000 . 1 . . . A 45 GLU HB3 . 25881 2 432 . 1 1 48 48 GLU HG2 H 1 2.253 0.001 . 2 . . . A 45 GLU HG2 . 25881 2 433 . 1 1 48 48 GLU HG3 H 1 2.253 0.001 . 2 . . . A 45 GLU HG3 . 25881 2 434 . 1 1 48 48 GLU CA C 13 56.612 0.018 . 1 . . . A 45 GLU CA . 25881 2 435 . 1 1 48 48 GLU CB C 13 30.346 0.000 . 1 . . . A 45 GLU CB . 25881 2 436 . 1 1 48 48 GLU CG C 13 36.384 0.000 . 1 . . . A 45 GLU CG . 25881 2 437 . 1 1 48 48 GLU N N 15 122.887 0.023 . 1 . . . A 45 GLU N . 25881 2 438 . 1 1 49 49 GLN H H 1 7.797 0.000 . 1 . . . A 46 GLN H . 25881 2 439 . 1 1 49 49 GLN HE21 H 1 7.422 0.002 . 1 . . . A 46 GLN HE21 . 25881 2 440 . 1 1 49 49 GLN HE22 H 1 6.738 0.000 . 1 . . . A 46 GLN HE22 . 25881 2 441 . 1 1 49 49 GLN N N 15 125.208 0.000 . 1 . . . A 46 GLN N . 25881 2 442 . 1 1 49 49 GLN NE2 N 15 111.966 0.011 . 1 . . . A 46 GLN NE2 . 25881 2 stop_ save_