################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34261 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 34261 1 2 '2D 1H-15N HSQC' . . . 34261 1 3 '2D 1H-13C HSQC aliphatic' . . . 34261 1 4 '2D 1H-13C HSQC aromatic' . . . 34261 1 5 '2D 1H-13C HSQC aliphatic' . . . 34261 1 6 '3D 1H-15N NOESY' . . . 34261 1 7 '3D HCCH-TOCSY' . . . 34261 1 8 '3D HBHA(CO)NH' . . . 34261 1 9 '3D HNCACB' . . . 34261 1 10 '3D CBCA(CO)NH' . . . 34261 1 11 '3D HNCO' . . . 34261 1 12 '2D 1H-13C HSQC aromatic' . . . 34261 1 13 '3D 1H-13C NOESY aromatic' . . . 34261 1 14 '3D 1H-13C NOESY aliphatic' . . . 34261 1 15 '13C,15N filtered, 13C edited (aliph) NOESY' . . . 34261 1 16 '3D HNCO' . . . 34261 1 17 '13C,15N filtered, 13C edited (aliph.) NOESY' . . . 34261 1 18 '3D 13C,15N-filtered, 15N edited NOESY' . . . 34261 1 19 '3D 13C,15N-filtered, 15N edited NOESY' . . . 34261 1 20 '3D 1H-13C NOESY aliphatic' . . . 34261 1 21 '3D 1H-15N NOESY' . . . 34261 1 22 '3D HCCH-TOCSY' . . . 34261 1 23 '3D HBHA(CO)NH' . . . 34261 1 24 '3D HNCACB' . . . 34261 1 25 '3D CBCA(CO)NH' . . . 34261 1 26 HBCBCGCDHE . . . 34261 1 27 HBCBCGCDCEHE . . . 34261 1 28 '13C,15N filtered, 13C edited (aro.) NOESY' . . . 34261 1 29 '13C,15N filtered, 13C edited (arom.) NOESY' . . . 34261 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 2 2 SER H H 1 7.959 0.020 . . . . . . B 202 SER H . 34261 1 2 . 2 2 2 2 SER HA H 1 4.418 0.020 . . . . . . B 202 SER HA . 34261 1 3 . 2 2 2 2 SER HB2 H 1 3.808 0.020 . . . . . . B 202 SER HB2 . 34261 1 4 . 2 2 2 2 SER HB3 H 1 3.808 0.020 . . . . . . B 202 SER HB3 . 34261 1 5 . 2 2 2 2 SER CA C 13 58.370 0.300 . . . . . . B 202 SER CA . 34261 1 6 . 2 2 2 2 SER CB C 13 63.949 0.300 . . . . . . B 202 SER CB . 34261 1 7 . 2 2 2 2 SER N N 15 121.203 0.300 . . . . . . B 202 SER N . 34261 1 8 . 2 2 3 3 LYS HA H 1 4.259 0.020 . . . . . . B 203 LYS HA . 34261 1 9 . 2 2 3 3 LYS HB2 H 1 1.734 0.020 . . . . . . B 203 LYS HB2 . 34261 1 10 . 2 2 3 3 LYS HB3 H 1 1.734 0.020 . . . . . . B 203 LYS HB3 . 34261 1 11 . 2 2 3 3 LYS HG2 H 1 1.366 0.020 . . . . . . B 203 LYS HG2 . 34261 1 12 . 2 2 3 3 LYS HG3 H 1 1.366 0.020 . . . . . . B 203 LYS HG3 . 34261 1 13 . 2 2 3 3 LYS HD2 H 1 1.643 0.020 . . . . . . B 203 LYS HD2 . 34261 1 14 . 2 2 3 3 LYS HD3 H 1 1.643 0.020 . . . . . . B 203 LYS HD3 . 34261 1 15 . 2 2 3 3 LYS HE2 H 1 2.949 0.020 . . . . . . B 203 LYS HE2 . 34261 1 16 . 2 2 3 3 LYS HE3 H 1 2.949 0.020 . . . . . . B 203 LYS HE3 . 34261 1 17 . 2 2 3 3 LYS CA C 13 56.529 0.300 . . . . . . B 203 LYS CA . 34261 1 18 . 2 2 3 3 LYS CB C 13 33.107 0.300 . . . . . . B 203 LYS CB . 34261 1 19 . 2 2 3 3 LYS CG C 13 24.431 0.300 . . . . . . B 203 LYS CG . 34261 1 20 . 2 2 3 3 LYS CD C 13 29.126 0.300 . . . . . . B 203 LYS CD . 34261 1 21 . 2 2 3 3 LYS CE C 13 42.289 0.300 . . . . . . B 203 LYS CE . 34261 1 22 . 2 2 4 4 LYS H H 1 8.357 0.020 . . . . . . B 204 LYS H . 34261 1 23 . 2 2 4 4 LYS HA H 1 4.591 0.020 . . . . . . B 204 LYS HA . 34261 1 24 . 2 2 4 4 LYS HB2 H 1 1.688 0.020 . . . . . . B 204 LYS HB2 . 34261 1 25 . 2 2 4 4 LYS HB3 H 1 1.688 0.020 . . . . . . B 204 LYS HB3 . 34261 1 26 . 2 2 4 4 LYS HG2 H 1 1.393 0.020 . . . . . . B 204 LYS HG2 . 34261 1 27 . 2 2 4 4 LYS HG3 H 1 1.393 0.020 . . . . . . B 204 LYS HG3 . 34261 1 28 . 2 2 4 4 LYS HD2 H 1 1.643 0.020 . . . . . . B 204 LYS HD2 . 34261 1 29 . 2 2 4 4 LYS HD3 H 1 1.643 0.020 . . . . . . B 204 LYS HD3 . 34261 1 30 . 2 2 4 4 LYS HE2 H 1 2.949 0.020 . . . . . . B 204 LYS HE2 . 34261 1 31 . 2 2 4 4 LYS HE3 H 1 2.949 0.020 . . . . . . B 204 LYS HE3 . 34261 1 32 . 2 2 4 4 LYS CA C 13 53.979 0.300 . . . . . . B 204 LYS CA . 34261 1 33 . 2 2 4 4 LYS CB C 13 32.714 0.300 . . . . . . B 204 LYS CB . 34261 1 34 . 2 2 4 4 LYS CG C 13 24.382 0.300 . . . . . . B 204 LYS CG . 34261 1 35 . 2 2 4 4 LYS CD C 13 29.034 0.300 . . . . . . B 204 LYS CD . 34261 1 36 . 2 2 4 4 LYS CE C 13 42.201 0.300 . . . . . . B 204 LYS CE . 34261 1 37 . 2 2 4 4 LYS N N 15 125.700 0.300 . . . . . . B 204 LYS N . 34261 1 38 . 2 2 5 5 PRO HA H 1 4.476 0.020 . . . . . . B 205 PRO HA . 34261 1 39 . 2 2 5 5 PRO HB2 H 1 2.117 0.020 . . . . . . B 205 PRO HB2 . 34261 1 40 . 2 2 5 5 PRO HB3 H 1 1.742 0.020 . . . . . . B 205 PRO HB3 . 34261 1 41 . 2 2 5 5 PRO HD2 H 1 3.823 0.020 . . . . . . B 205 PRO HD2 . 34261 1 42 . 2 2 5 5 PRO HD3 H 1 3.504 0.020 . . . . . . B 205 PRO HD3 . 34261 1 43 . 2 2 5 5 PRO CA C 13 62.799 0.300 . . . . . . B 205 PRO CA . 34261 1 44 . 2 2 5 5 PRO CB C 13 32.170 0.300 . . . . . . B 205 PRO CB . 34261 1 45 . 2 2 5 5 PRO CG C 13 27.516 0.300 . . . . . . B 205 PRO CG . 34261 1 46 . 2 2 5 5 PRO CD C 13 50.638 0.300 . . . . . . B 205 PRO CD . 34261 1 47 . 2 2 6 6 VAL H H 1 8.142 0.020 . . . . . . B 206 VAL H . 34261 1 48 . 2 2 6 6 VAL HA H 1 4.584 0.020 . . . . . . B 206 VAL HA . 34261 1 49 . 2 2 6 6 VAL HB H 1 1.943 0.020 . . . . . . B 206 VAL HB . 34261 1 50 . 2 2 6 6 VAL HG11 H 1 0.768 0.020 . . . . . . B 206 VAL HG11 . 34261 1 51 . 2 2 6 6 VAL HG12 H 1 0.768 0.020 . . . . . . B 206 VAL HG12 . 34261 1 52 . 2 2 6 6 VAL HG13 H 1 0.768 0.020 . . . . . . B 206 VAL HG13 . 34261 1 53 . 2 2 6 6 VAL HG21 H 1 0.788 0.020 . . . . . . B 206 VAL HG21 . 34261 1 54 . 2 2 6 6 VAL HG22 H 1 0.788 0.020 . . . . . . B 206 VAL HG22 . 34261 1 55 . 2 2 6 6 VAL HG23 H 1 0.788 0.020 . . . . . . B 206 VAL HG23 . 34261 1 56 . 2 2 6 6 VAL CA C 13 58.334 0.300 . . . . . . B 206 VAL CA . 34261 1 57 . 2 2 6 6 VAL CB C 13 32.019 0.300 . . . . . . B 206 VAL CB . 34261 1 58 . 2 2 6 6 VAL CG1 C 13 21.515 0.300 . . . . . . B 206 VAL CG1 . 34261 1 59 . 2 2 6 6 VAL CG2 C 13 18.481 0.300 . . . . . . B 206 VAL CG2 . 34261 1 60 . 2 2 6 6 VAL N N 15 119.493 0.300 . . . . . . B 206 VAL N . 34261 1 61 . 2 2 7 7 PRO HA H 1 4.312 0.020 . . . . . . B 207 PRO HA . 34261 1 62 . 2 2 7 7 PRO HB2 H 1 2.073 0.020 . . . . . . B 207 PRO HB2 . 34261 1 63 . 2 2 7 7 PRO HB3 H 1 1.679 0.020 . . . . . . B 207 PRO HB3 . 34261 1 64 . 2 2 7 7 PRO HD2 H 1 3.892 0.020 . . . . . . B 207 PRO HD2 . 34261 1 65 . 2 2 7 7 PRO HD3 H 1 3.430 0.020 . . . . . . B 207 PRO HD3 . 34261 1 66 . 2 2 7 7 PRO CA C 13 62.350 0.300 . . . . . . B 207 PRO CA . 34261 1 67 . 2 2 7 7 PRO CB C 13 32.575 0.300 . . . . . . B 207 PRO CB . 34261 1 68 . 2 2 7 7 PRO CG C 13 27.415 0.300 . . . . . . B 207 PRO CG . 34261 1 69 . 2 2 7 7 PRO CD C 13 50.673 0.300 . . . . . . B 207 PRO CD . 34261 1 70 . 2 2 8 8 ILE H H 1 8.537 0.020 . . . . . . B 208 ILE H . 34261 1 71 . 2 2 8 8 ILE HA H 1 4.604 0.020 . . . . . . B 208 ILE HA . 34261 1 72 . 2 2 8 8 ILE HB H 1 1.752 0.020 . . . . . . B 208 ILE HB . 34261 1 73 . 2 2 8 8 ILE HG12 H 1 1.626 0.020 . . . . . . B 208 ILE HG12 . 34261 1 74 . 2 2 8 8 ILE HG13 H 1 0.825 0.020 . . . . . . B 208 ILE HG13 . 34261 1 75 . 2 2 8 8 ILE HG21 H 1 0.719 0.020 . . . . . . B 208 ILE HG21 . 34261 1 76 . 2 2 8 8 ILE HG22 H 1 0.719 0.020 . . . . . . B 208 ILE HG22 . 34261 1 77 . 2 2 8 8 ILE HG23 H 1 0.719 0.020 . . . . . . B 208 ILE HG23 . 34261 1 78 . 2 2 8 8 ILE HD11 H 1 0.660 0.020 . . . . . . B 208 ILE HD11 . 34261 1 79 . 2 2 8 8 ILE HD12 H 1 0.660 0.020 . . . . . . B 208 ILE HD12 . 34261 1 80 . 2 2 8 8 ILE HD13 H 1 0.660 0.020 . . . . . . B 208 ILE HD13 . 34261 1 81 . 2 2 8 8 ILE CA C 13 60.642 0.300 . . . . . . B 208 ILE CA . 34261 1 82 . 2 2 8 8 ILE CB C 13 39.331 0.300 . . . . . . B 208 ILE CB . 34261 1 83 . 2 2 8 8 ILE CG1 C 13 27.540 0.300 . . . . . . B 208 ILE CG1 . 34261 1 84 . 2 2 8 8 ILE CG2 C 13 17.419 0.300 . . . . . . B 208 ILE CG2 . 34261 1 85 . 2 2 8 8 ILE CD1 C 13 13.727 0.300 . . . . . . B 208 ILE CD1 . 34261 1 86 . 2 2 8 8 ILE N N 15 121.452 0.300 . . . . . . B 208 ILE N . 34261 1 87 . 2 2 9 9 ILE H H 1 9.249 0.020 . . . . . . B 209 ILE H . 34261 1 88 . 2 2 9 9 ILE HA H 1 4.596 0.020 . . . . . . B 209 ILE HA . 34261 1 89 . 2 2 9 9 ILE HB H 1 1.674 0.020 . . . . . . B 209 ILE HB . 34261 1 90 . 2 2 9 9 ILE HG12 H 1 1.271 0.020 . . . . . . B 209 ILE HG12 . 34261 1 91 . 2 2 9 9 ILE HG13 H 1 1.009 0.020 . . . . . . B 209 ILE HG13 . 34261 1 92 . 2 2 9 9 ILE HG21 H 1 0.717 0.020 . . . . . . B 209 ILE HG21 . 34261 1 93 . 2 2 9 9 ILE HG22 H 1 0.717 0.020 . . . . . . B 209 ILE HG22 . 34261 1 94 . 2 2 9 9 ILE HG23 H 1 0.717 0.020 . . . . . . B 209 ILE HG23 . 34261 1 95 . 2 2 9 9 ILE HD11 H 1 0.693 0.020 . . . . . . B 209 ILE HD11 . 34261 1 96 . 2 2 9 9 ILE HD12 H 1 0.693 0.020 . . . . . . B 209 ILE HD12 . 34261 1 97 . 2 2 9 9 ILE HD13 H 1 0.693 0.020 . . . . . . B 209 ILE HD13 . 34261 1 98 . 2 2 9 9 ILE CA C 13 59.347 0.300 . . . . . . B 209 ILE CA . 34261 1 99 . 2 2 9 9 ILE CB C 13 39.993 0.300 . . . . . . B 209 ILE CB . 34261 1 100 . 2 2 9 9 ILE CG1 C 13 28.374 0.300 . . . . . . B 209 ILE CG1 . 34261 1 101 . 2 2 9 9 ILE CG2 C 13 18.531 0.300 . . . . . . B 209 ILE CG2 . 34261 1 102 . 2 2 9 9 ILE CD1 C 13 13.379 0.300 . . . . . . B 209 ILE CD1 . 34261 1 103 . 2 2 9 9 ILE N N 15 129.037 0.300 . . . . . . B 209 ILE N . 34261 1 104 . 2 2 10 10 TYR H H 1 9.017 0.020 . . . . . . B 210 TYR H . 34261 1 105 . 2 2 10 10 TYR HA H 1 5.770 0.020 . . . . . . B 210 TYR HA . 34261 1 106 . 2 2 10 10 TYR HB2 H 1 2.900 0.020 . . . . . . B 210 TYR HB2 . 34261 1 107 . 2 2 10 10 TYR HB3 H 1 2.493 0.020 . . . . . . B 210 TYR HB3 . 34261 1 108 . 2 2 10 10 TYR HD1 H 1 6.872 0.020 . . . . . . B 210 TYR HD1 . 34261 1 109 . 2 2 10 10 TYR HD2 H 1 6.872 0.020 . . . . . . B 210 TYR HD2 . 34261 1 110 . 2 2 10 10 TYR HE1 H 1 6.571 0.020 . . . . . . B 210 TYR HE1 . 34261 1 111 . 2 2 10 10 TYR HE2 H 1 6.571 0.020 . . . . . . B 210 TYR HE2 . 34261 1 112 . 2 2 10 10 TYR CA C 13 53.711 0.300 . . . . . . B 210 TYR CA . 34261 1 113 . 2 2 10 10 TYR CB C 13 42.670 0.300 . . . . . . B 210 TYR CB . 34261 1 114 . 2 2 10 10 TYR CD1 C 13 133.927 0.300 . . . . . . B 210 TYR CD1 . 34261 1 115 . 2 2 10 10 TYR CE1 C 13 117.099 0.300 . . . . . . B 210 TYR CE1 . 34261 1 116 . 2 2 10 10 TYR N N 15 123.050 0.300 . . . . . . B 210 TYR N . 34261 1 117 . 2 2 11 11 CYS H H 1 9.004 0.020 . . . . . . B 211 CYS H . 34261 1 118 . 2 2 11 11 CYS HA H 1 5.291 0.020 . . . . . . B 211 CYS HA . 34261 1 119 . 2 2 11 11 CYS HB2 H 1 2.772 0.020 . . . . . . B 211 CYS HB2 . 34261 1 120 . 2 2 11 11 CYS HB3 H 1 2.772 0.020 . . . . . . B 211 CYS HB3 . 34261 1 121 . 2 2 11 11 CYS CA C 13 54.795 0.300 . . . . . . B 211 CYS CA . 34261 1 122 . 2 2 11 11 CYS CB C 13 48.049 0.300 . . . . . . B 211 CYS CB . 34261 1 123 . 2 2 11 11 CYS N N 15 121.419 0.300 . . . . . . B 211 CYS N . 34261 1 124 . 2 2 12 12 ASN H H 1 8.178 0.020 . . . . . . B 212 ASN H . 34261 1 125 . 2 2 12 12 ASN HA H 1 5.058 0.020 . . . . . . B 212 ASN HA . 34261 1 126 . 2 2 12 12 ASN HB2 H 1 3.164 0.020 . . . . . . B 212 ASN HB2 . 34261 1 127 . 2 2 12 12 ASN HB3 H 1 2.765 0.020 . . . . . . B 212 ASN HB3 . 34261 1 128 . 2 2 12 12 ASN HD21 H 1 6.851 0.020 . . . . . . B 212 ASN HD21 . 34261 1 129 . 2 2 12 12 ASN HD22 H 1 8.098 0.020 . . . . . . B 212 ASN HD22 . 34261 1 130 . 2 2 12 12 ASN CA C 13 52.804 0.300 . . . . . . B 212 ASN CA . 34261 1 131 . 2 2 12 12 ASN CB C 13 40.584 0.300 . . . . . . B 212 ASN CB . 34261 1 132 . 2 2 12 12 ASN N N 15 122.734 0.300 . . . . . . B 212 ASN N . 34261 1 133 . 2 2 12 12 ASN ND2 N 15 113.790 0.300 . . . . . . B 212 ASN ND2 . 34261 1 134 . 2 2 13 13 ARG H H 1 8.589 0.020 . . . . . . B 213 ARG H . 34261 1 135 . 2 2 13 13 ARG HA H 1 4.123 0.020 . . . . . . B 213 ARG HA . 34261 1 136 . 2 2 13 13 ARG HB2 H 1 1.782 0.020 . . . . . . B 213 ARG HB2 . 34261 1 137 . 2 2 13 13 ARG HB3 H 1 1.782 0.020 . . . . . . B 213 ARG HB3 . 34261 1 138 . 2 2 13 13 ARG HG2 H 1 1.626 0.020 . . . . . . B 213 ARG HG2 . 34261 1 139 . 2 2 13 13 ARG HG3 H 1 1.449 0.020 . . . . . . B 213 ARG HG3 . 34261 1 140 . 2 2 13 13 ARG CA C 13 59.130 0.300 . . . . . . B 213 ARG CA . 34261 1 141 . 2 2 13 13 ARG CB C 13 30.953 0.300 . . . . . . B 213 ARG CB . 34261 1 142 . 2 2 13 13 ARG CG C 13 28.252 0.300 . . . . . . B 213 ARG CG . 34261 1 143 . 2 2 13 13 ARG CD C 13 43.109 0.300 . . . . . . B 213 ARG CD . 34261 1 144 . 2 2 13 13 ARG N N 15 125.958 0.300 . . . . . . B 213 ARG N . 34261 1 145 . 2 2 14 14 ARG H H 1 8.195 0.020 . . . . . . B 214 ARG H . 34261 1 146 . 2 2 14 14 ARG HA H 1 4.267 0.020 . . . . . . B 214 ARG HA . 34261 1 147 . 2 2 14 14 ARG HB2 H 1 2.192 0.020 . . . . . . B 214 ARG HB2 . 34261 1 148 . 2 2 14 14 ARG HB3 H 1 2.017 0.020 . . . . . . B 214 ARG HB3 . 34261 1 149 . 2 2 14 14 ARG HG2 H 1 1.837 0.020 . . . . . . B 214 ARG HG2 . 34261 1 150 . 2 2 14 14 ARG HG3 H 1 1.682 0.020 . . . . . . B 214 ARG HG3 . 34261 1 151 . 2 2 14 14 ARG HD2 H 1 3.259 0.020 . . . . . . B 214 ARG HD2 . 34261 1 152 . 2 2 14 14 ARG HD3 H 1 3.259 0.020 . . . . . . B 214 ARG HD3 . 34261 1 153 . 2 2 14 14 ARG CA C 13 58.423 0.300 . . . . . . B 214 ARG CA . 34261 1 154 . 2 2 14 14 ARG CB C 13 30.025 0.300 . . . . . . B 214 ARG CB . 34261 1 155 . 2 2 14 14 ARG CG C 13 27.809 0.300 . . . . . . B 214 ARG CG . 34261 1 156 . 2 2 14 14 ARG CD C 13 43.274 0.300 . . . . . . B 214 ARG CD . 34261 1 157 . 2 2 14 14 ARG N N 15 117.300 0.300 . . . . . . B 214 ARG N . 34261 1 158 . 2 2 15 15 THR H H 1 8.165 0.020 . . . . . . B 215 THR H . 34261 1 159 . 2 2 15 15 THR HA H 1 4.365 0.020 . . . . . . B 215 THR HA . 34261 1 160 . 2 2 15 15 THR HB H 1 4.365 0.020 . . . . . . B 215 THR HB . 34261 1 161 . 2 2 15 15 THR HG21 H 1 1.207 0.020 . . . . . . B 215 THR HG21 . 34261 1 162 . 2 2 15 15 THR HG22 H 1 1.207 0.020 . . . . . . B 215 THR HG22 . 34261 1 163 . 2 2 15 15 THR HG23 H 1 1.207 0.020 . . . . . . B 215 THR HG23 . 34261 1 164 . 2 2 15 15 THR CA C 13 61.702 0.300 . . . . . . B 215 THR CA . 34261 1 165 . 2 2 15 15 THR CB C 13 70.488 0.300 . . . . . . B 215 THR CB . 34261 1 166 . 2 2 15 15 THR CG2 C 13 21.154 0.300 . . . . . . B 215 THR CG2 . 34261 1 167 . 2 2 15 15 THR N N 15 107.103 0.300 . . . . . . B 215 THR N . 34261 1 168 . 2 2 16 16 GLY H H 1 8.287 0.020 . . . . . . B 216 GLY H . 34261 1 169 . 2 2 16 16 GLY HA2 H 1 4.116 0.020 . . . . . . B 216 GLY HA2 . 34261 1 170 . 2 2 16 16 GLY HA3 H 1 3.762 0.020 . . . . . . B 216 GLY HA3 . 34261 1 171 . 2 2 16 16 GLY CA C 13 45.696 0.300 . . . . . . B 216 GLY CA . 34261 1 172 . 2 2 16 16 GLY N N 15 111.160 0.300 . . . . . . B 216 GLY N . 34261 1 173 . 2 2 17 17 LYS H H 1 7.647 0.020 . . . . . . B 217 LYS H . 34261 1 174 . 2 2 17 17 LYS HA H 1 4.381 0.020 . . . . . . B 217 LYS HA . 34261 1 175 . 2 2 17 17 LYS HB2 H 1 1.713 0.020 . . . . . . B 217 LYS HB2 . 34261 1 176 . 2 2 17 17 LYS HB3 H 1 1.713 0.020 . . . . . . B 217 LYS HB3 . 34261 1 177 . 2 2 17 17 LYS HG2 H 1 1.388 0.020 . . . . . . B 217 LYS HG2 . 34261 1 178 . 2 2 17 17 LYS HG3 H 1 1.298 0.020 . . . . . . B 217 LYS HG3 . 34261 1 179 . 2 2 17 17 LYS HD2 H 1 1.632 0.020 . . . . . . B 217 LYS HD2 . 34261 1 180 . 2 2 17 17 LYS HD3 H 1 1.632 0.020 . . . . . . B 217 LYS HD3 . 34261 1 181 . 2 2 17 17 LYS HE2 H 1 2.949 0.020 . . . . . . B 217 LYS HE2 . 34261 1 182 . 2 2 17 17 LYS HE3 H 1 2.949 0.020 . . . . . . B 217 LYS HE3 . 34261 1 183 . 2 2 17 17 LYS CA C 13 55.925 0.300 . . . . . . B 217 LYS CA . 34261 1 184 . 2 2 17 17 LYS CB C 13 33.595 0.300 . . . . . . B 217 LYS CB . 34261 1 185 . 2 2 17 17 LYS CG C 13 24.837 0.300 . . . . . . B 217 LYS CG . 34261 1 186 . 2 2 17 17 LYS CD C 13 28.730 0.300 . . . . . . B 217 LYS CD . 34261 1 187 . 2 2 17 17 LYS CE C 13 42.276 0.300 . . . . . . B 217 LYS CE . 34261 1 188 . 2 2 17 17 LYS N N 15 119.099 0.300 . . . . . . B 217 LYS N . 34261 1 189 . 2 2 18 18 CYS HA H 1 5.730 0.020 . . . . . . B 218 CYS HA . 34261 1 190 . 2 2 18 18 CYS HB2 H 1 2.868 0.020 . . . . . . B 218 CYS HB2 . 34261 1 191 . 2 2 18 18 CYS HB3 H 1 2.529 0.020 . . . . . . B 218 CYS HB3 . 34261 1 192 . 2 2 18 18 CYS CA C 13 55.382 0.300 . . . . . . B 218 CYS CA . 34261 1 193 . 2 2 18 18 CYS CB C 13 47.798 0.300 . . . . . . B 218 CYS CB . 34261 1 194 . 2 2 19 19 GLN H H 1 8.896 0.020 . . . . . . B 219 GLN H . 34261 1 195 . 2 2 19 19 GLN HA H 1 4.442 0.020 . . . . . . B 219 GLN HA . 34261 1 196 . 2 2 19 19 GLN HB2 H 1 1.761 0.020 . . . . . . B 219 GLN HB2 . 34261 1 197 . 2 2 19 19 GLN HB3 H 1 1.472 0.020 . . . . . . B 219 GLN HB3 . 34261 1 198 . 2 2 19 19 GLN HG2 H 1 2.028 0.020 . . . . . . B 219 GLN HG2 . 34261 1 199 . 2 2 19 19 GLN HG3 H 1 2.028 0.020 . . . . . . B 219 GLN HG3 . 34261 1 200 . 2 2 19 19 GLN HE21 H 1 6.745 0.020 . . . . . . B 219 GLN HE21 . 34261 1 201 . 2 2 19 19 GLN HE22 H 1 7.388 0.020 . . . . . . B 219 GLN HE22 . 34261 1 202 . 2 2 19 19 GLN CA C 13 54.298 0.300 . . . . . . B 219 GLN CA . 34261 1 203 . 2 2 19 19 GLN CB C 13 33.635 0.300 . . . . . . B 219 GLN CB . 34261 1 204 . 2 2 19 19 GLN CG C 13 33.631 0.300 . . . . . . B 219 GLN CG . 34261 1 205 . 2 2 19 19 GLN N N 15 120.195 0.300 . . . . . . B 219 GLN N . 34261 1 206 . 2 2 19 19 GLN NE2 N 15 111.685 0.300 . . . . . . B 219 GLN NE2 . 34261 1 207 . 2 2 20 20 ARG H H 1 8.375 0.020 . . . . . . B 220 ARG H . 34261 1 208 . 2 2 20 20 ARG HA H 1 4.983 0.020 . . . . . . B 220 ARG HA . 34261 1 209 . 2 2 20 20 ARG HB2 H 1 1.797 0.020 . . . . . . B 220 ARG HB2 . 34261 1 210 . 2 2 20 20 ARG HB3 H 1 1.629 0.020 . . . . . . B 220 ARG HB3 . 34261 1 211 . 2 2 20 20 ARG HG2 H 1 1.488 0.020 . . . . . . B 220 ARG HG2 . 34261 1 212 . 2 2 20 20 ARG HG3 H 1 1.488 0.020 . . . . . . B 220 ARG HG3 . 34261 1 213 . 2 2 20 20 ARG HD2 H 1 3.124 0.020 . . . . . . B 220 ARG HD2 . 34261 1 214 . 2 2 20 20 ARG HD3 H 1 3.124 0.020 . . . . . . B 220 ARG HD3 . 34261 1 215 . 2 2 20 20 ARG CA C 13 55.097 0.300 . . . . . . B 220 ARG CA . 34261 1 216 . 2 2 20 20 ARG CB C 13 31.582 0.300 . . . . . . B 220 ARG CB . 34261 1 217 . 2 2 20 20 ARG CG C 13 27.521 0.300 . . . . . . B 220 ARG CG . 34261 1 218 . 2 2 20 20 ARG CD C 13 43.877 0.300 . . . . . . B 220 ARG CD . 34261 1 219 . 2 2 20 20 ARG N N 15 121.386 0.300 . . . . . . B 220 ARG N . 34261 1 220 . 2 2 21 21 MET H H 1 9.104 0.020 . . . . . . B 221 MET H . 34261 1 221 . 2 2 21 21 MET HA H 1 4.405 0.020 . . . . . . B 221 MET HA . 34261 1 222 . 2 2 21 21 MET HB2 H 1 2.052 0.020 . . . . . . B 221 MET HB2 . 34261 1 223 . 2 2 21 21 MET HB3 H 1 1.637 0.020 . . . . . . B 221 MET HB3 . 34261 1 224 . 2 2 21 21 MET HG2 H 1 2.597 0.020 . . . . . . B 221 MET HG2 . 34261 1 225 . 2 2 21 21 MET HG3 H 1 2.536 0.020 . . . . . . B 221 MET HG3 . 34261 1 226 . 2 2 21 21 MET CA C 13 58.421 0.300 . . . . . . B 221 MET CA . 34261 1 227 . 2 2 21 21 MET CB C 13 34.271 0.300 . . . . . . B 221 MET CB . 34261 1 228 . 2 2 21 21 MET CG C 13 33.608 0.300 . . . . . . B 221 MET CG . 34261 1 229 . 2 2 21 21 MET N N 15 131.010 0.300 . . . . . . B 221 MET N . 34261 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34261 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 34261 2 2 '2D 1H-15N HSQC' . . . 34261 2 3 '2D 1H-13C HSQC aliphatic' . . . 34261 2 4 '2D 1H-13C HSQC aromatic' . . . 34261 2 5 '2D 1H-13C HSQC aliphatic' . . . 34261 2 6 '3D 1H-15N NOESY' . . . 34261 2 7 '3D HCCH-TOCSY' . . . 34261 2 8 '3D HBHA(CO)NH' . . . 34261 2 9 '3D HNCACB' . . . 34261 2 10 '3D CBCA(CO)NH' . . . 34261 2 11 '3D HNCO' . . . 34261 2 12 '2D 1H-13C HSQC aromatic' . . . 34261 2 13 '3D 1H-13C NOESY aromatic' . . . 34261 2 14 '3D 1H-13C NOESY aliphatic' . . . 34261 2 15 '13C,15N filtered, 13C edited (aliph) NOESY' . . . 34261 2 16 '3D HNCO' . . . 34261 2 17 '13C,15N filtered, 13C edited (aliph.) NOESY' . . . 34261 2 18 '3D 13C,15N-filtered, 15N edited NOESY' . . . 34261 2 19 '3D 13C,15N-filtered, 15N edited NOESY' . . . 34261 2 20 '3D 1H-13C NOESY aliphatic' . . . 34261 2 21 '3D 1H-15N NOESY' . . . 34261 2 22 '3D HCCH-TOCSY' . . . 34261 2 23 '3D HBHA(CO)NH' . . . 34261 2 24 '3D HNCACB' . . . 34261 2 25 '3D CBCA(CO)NH' . . . 34261 2 26 HBCBCGCDHE . . . 34261 2 27 HBCBCGCDCEHE . . . 34261 2 28 '13C,15N filtered, 13C edited (aro.) NOESY' . . . 34261 2 29 '13C,15N filtered, 13C edited (arom.) NOESY' . . . 34261 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR HA H 1 4.029 0.020 . . . . . . A 29 THR HA . 34261 2 2 . 1 1 2 2 THR HB H 1 4.130 0.020 . . . . . . A 29 THR HB . 34261 2 3 . 1 1 2 2 THR HG21 H 1 1.219 0.020 . . . . . . A 29 THR HG21 . 34261 2 4 . 1 1 2 2 THR HG22 H 1 1.219 0.020 . . . . . . A 29 THR HG22 . 34261 2 5 . 1 1 2 2 THR HG23 H 1 1.219 0.020 . . . . . . A 29 THR HG23 . 34261 2 6 . 1 1 2 2 THR CA C 13 66.444 0.300 . . . . . . A 29 THR CA . 34261 2 7 . 1 1 2 2 THR CB C 13 68.590 0.300 . . . . . . A 29 THR CB . 34261 2 8 . 1 1 2 2 THR CG2 C 13 21.034 0.300 . . . . . . A 29 THR CG2 . 34261 2 9 . 1 1 3 3 GLY HA2 H 1 4.553 0.020 . . . . . . A 30 GLY HA2 . 34261 2 10 . 1 1 3 3 GLY HA3 H 1 3.841 0.020 . . . . . . A 30 GLY HA3 . 34261 2 11 . 1 1 3 3 GLY C C 13 177.261 0.300 . . . . . . A 30 GLY C . 34261 2 12 . 1 1 3 3 GLY CA C 13 45.160 0.300 . . . . . . A 30 GLY CA . 34261 2 13 . 1 1 4 4 ASP H H 1 8.440 0.020 . . . . . . A 31 ASP H . 34261 2 14 . 1 1 4 4 ASP HA H 1 4.583 0.020 . . . . . . A 31 ASP HA . 34261 2 15 . 1 1 4 4 ASP HB2 H 1 2.920 0.020 . . . . . . A 31 ASP HB2 . 34261 2 16 . 1 1 4 4 ASP HB3 H 1 2.685 0.020 . . . . . . A 31 ASP HB3 . 34261 2 17 . 1 1 4 4 ASP C C 13 177.890 0.300 . . . . . . A 31 ASP C . 34261 2 18 . 1 1 4 4 ASP CA C 13 59.052 0.300 . . . . . . A 31 ASP CA . 34261 2 19 . 1 1 4 4 ASP CB C 13 40.852 0.300 . . . . . . A 31 ASP CB . 34261 2 20 . 1 1 4 4 ASP N N 15 123.788 0.300 . . . . . . A 31 ASP N . 34261 2 21 . 1 1 5 5 THR H H 1 7.527 0.020 . . . . . . A 32 THR H . 34261 2 22 . 1 1 5 5 THR HA H 1 3.995 0.020 . . . . . . A 32 THR HA . 34261 2 23 . 1 1 5 5 THR HB H 1 4.569 0.020 . . . . . . A 32 THR HB . 34261 2 24 . 1 1 5 5 THR HG21 H 1 1.149 0.020 . . . . . . A 32 THR HG21 . 34261 2 25 . 1 1 5 5 THR HG22 H 1 1.149 0.020 . . . . . . A 32 THR HG22 . 34261 2 26 . 1 1 5 5 THR HG23 H 1 1.149 0.020 . . . . . . A 32 THR HG23 . 34261 2 27 . 1 1 5 5 THR C C 13 174.228 0.300 . . . . . . A 32 THR C . 34261 2 28 . 1 1 5 5 THR CA C 13 63.814 0.300 . . . . . . A 32 THR CA . 34261 2 29 . 1 1 5 5 THR CB C 13 68.041 0.300 . . . . . . A 32 THR CB . 34261 2 30 . 1 1 5 5 THR CG2 C 13 23.071 0.300 . . . . . . A 32 THR CG2 . 34261 2 31 . 1 1 5 5 THR N N 15 102.504 0.300 . . . . . . A 32 THR N . 34261 2 32 . 1 1 6 6 ASP H H 1 7.388 0.020 . . . . . . A 33 ASP H . 34261 2 33 . 1 1 6 6 ASP HA H 1 4.805 0.020 . . . . . . A 33 ASP HA . 34261 2 34 . 1 1 6 6 ASP HB2 H 1 2.873 0.020 . . . . . . A 33 ASP HB2 . 34261 2 35 . 1 1 6 6 ASP HB3 H 1 2.529 0.020 . . . . . . A 33 ASP HB3 . 34261 2 36 . 1 1 6 6 ASP C C 13 176.262 0.300 . . . . . . A 33 ASP C . 34261 2 37 . 1 1 6 6 ASP CA C 13 54.158 0.300 . . . . . . A 33 ASP CA . 34261 2 38 . 1 1 6 6 ASP CB C 13 42.143 0.300 . . . . . . A 33 ASP CB . 34261 2 39 . 1 1 6 6 ASP N N 15 118.809 0.300 . . . . . . A 33 ASP N . 34261 2 40 . 1 1 7 7 GLN H H 1 7.536 0.020 . . . . . . A 34 GLN H . 34261 2 41 . 1 1 7 7 GLN HA H 1 4.555 0.020 . . . . . . A 34 GLN HA . 34261 2 42 . 1 1 7 7 GLN HB2 H 1 2.311 0.020 . . . . . . A 34 GLN HB2 . 34261 2 43 . 1 1 7 7 GLN HB3 H 1 2.109 0.020 . . . . . . A 34 GLN HB3 . 34261 2 44 . 1 1 7 7 GLN CA C 13 53.297 0.300 . . . . . . A 34 GLN CA . 34261 2 45 . 1 1 7 7 GLN CB C 13 27.764 0.300 . . . . . . A 34 GLN CB . 34261 2 46 . 1 1 7 7 GLN N N 15 119.893 0.300 . . . . . . A 34 GLN N . 34261 2 47 . 1 1 8 8 PRO HA H 1 4.405 0.020 . . . . . . A 35 PRO HA . 34261 2 48 . 1 1 8 8 PRO HB2 H 1 2.048 0.020 . . . . . . A 35 PRO HB2 . 34261 2 49 . 1 1 8 8 PRO HB3 H 1 1.670 0.020 . . . . . . A 35 PRO HB3 . 34261 2 50 . 1 1 8 8 PRO HD2 H 1 3.780 0.020 . . . . . . A 35 PRO HD2 . 34261 2 51 . 1 1 8 8 PRO HD3 H 1 3.696 0.020 . . . . . . A 35 PRO HD3 . 34261 2 52 . 1 1 8 8 PRO C C 13 175.273 0.300 . . . . . . A 35 PRO C . 34261 2 53 . 1 1 8 8 PRO CA C 13 62.601 0.300 . . . . . . A 35 PRO CA . 34261 2 54 . 1 1 8 8 PRO CB C 13 32.932 0.300 . . . . . . A 35 PRO CB . 34261 2 55 . 1 1 8 8 PRO CG C 13 26.788 0.300 . . . . . . A 35 PRO CG . 34261 2 56 . 1 1 8 8 PRO CD C 13 50.357 0.300 . . . . . . A 35 PRO CD . 34261 2 57 . 1 1 9 9 ILE H H 1 8.447 0.020 . . . . . . A 36 ILE H . 34261 2 58 . 1 1 9 9 ILE HA H 1 4.634 0.020 . . . . . . A 36 ILE HA . 34261 2 59 . 1 1 9 9 ILE HB H 1 1.719 0.020 . . . . . . A 36 ILE HB . 34261 2 60 . 1 1 9 9 ILE HG12 H 1 1.717 0.020 . . . . . . A 36 ILE HG12 . 34261 2 61 . 1 1 9 9 ILE HG13 H 1 0.761 0.020 . . . . . . A 36 ILE HG13 . 34261 2 62 . 1 1 9 9 ILE HG21 H 1 0.673 0.020 . . . . . . A 36 ILE HG21 . 34261 2 63 . 1 1 9 9 ILE HG22 H 1 0.673 0.020 . . . . . . A 36 ILE HG22 . 34261 2 64 . 1 1 9 9 ILE HG23 H 1 0.673 0.020 . . . . . . A 36 ILE HG23 . 34261 2 65 . 1 1 9 9 ILE HD11 H 1 0.628 0.020 . . . . . . A 36 ILE HD11 . 34261 2 66 . 1 1 9 9 ILE HD12 H 1 0.628 0.020 . . . . . . A 36 ILE HD12 . 34261 2 67 . 1 1 9 9 ILE HD13 H 1 0.628 0.020 . . . . . . A 36 ILE HD13 . 34261 2 68 . 1 1 9 9 ILE C C 13 174.177 0.300 . . . . . . A 36 ILE C . 34261 2 69 . 1 1 9 9 ILE CA C 13 60.305 0.300 . . . . . . A 36 ILE CA . 34261 2 70 . 1 1 9 9 ILE CB C 13 39.004 0.300 . . . . . . A 36 ILE CB . 34261 2 71 . 1 1 9 9 ILE CG1 C 13 28.401 0.300 . . . . . . A 36 ILE CG1 . 34261 2 72 . 1 1 9 9 ILE CG2 C 13 17.495 0.300 . . . . . . A 36 ILE CG2 . 34261 2 73 . 1 1 9 9 ILE CD1 C 13 14.574 0.300 . . . . . . A 36 ILE CD1 . 34261 2 74 . 1 1 9 9 ILE N N 15 122.456 0.300 . . . . . . A 36 ILE N . 34261 2 75 . 1 1 10 10 HIS H H 1 9.252 0.020 . . . . . . A 37 HIS H . 34261 2 76 . 1 1 10 10 HIS HA H 1 5.503 0.020 . . . . . . A 37 HIS HA . 34261 2 77 . 1 1 10 10 HIS HB2 H 1 3.014 0.020 . . . . . . A 37 HIS HB2 . 34261 2 78 . 1 1 10 10 HIS HB3 H 1 2.873 0.020 . . . . . . A 37 HIS HB3 . 34261 2 79 . 1 1 10 10 HIS HE1 H 1 7.602 0.020 . . . . . . A 37 HIS HE1 . 34261 2 80 . 1 1 10 10 HIS C C 13 174.808 0.300 . . . . . . A 37 HIS C . 34261 2 81 . 1 1 10 10 HIS CA C 13 54.627 0.300 . . . . . . A 37 HIS CA . 34261 2 82 . 1 1 10 10 HIS CB C 13 32.598 0.300 . . . . . . A 37 HIS CB . 34261 2 83 . 1 1 10 10 HIS CE1 C 13 137.719 0.300 . . . . . . A 37 HIS CE1 . 34261 2 84 . 1 1 10 10 HIS N N 15 127.524 0.300 . . . . . . A 37 HIS N . 34261 2 85 . 1 1 11 11 ILE H H 1 8.965 0.020 . . . . . . A 38 ILE H . 34261 2 86 . 1 1 11 11 ILE HA H 1 4.928 0.020 . . . . . . A 38 ILE HA . 34261 2 87 . 1 1 11 11 ILE HB H 1 1.136 0.020 . . . . . . A 38 ILE HB . 34261 2 88 . 1 1 11 11 ILE HG12 H 1 1.495 0.020 . . . . . . A 38 ILE HG12 . 34261 2 89 . 1 1 11 11 ILE HG13 H 1 0.709 0.020 . . . . . . A 38 ILE HG13 . 34261 2 90 . 1 1 11 11 ILE HG21 H 1 -0.206 0.020 . . . . . . A 38 ILE HG21 . 34261 2 91 . 1 1 11 11 ILE HG22 H 1 -0.206 0.020 . . . . . . A 38 ILE HG22 . 34261 2 92 . 1 1 11 11 ILE HG23 H 1 -0.206 0.020 . . . . . . A 38 ILE HG23 . 34261 2 93 . 1 1 11 11 ILE HD11 H 1 0.404 0.020 . . . . . . A 38 ILE HD11 . 34261 2 94 . 1 1 11 11 ILE HD12 H 1 0.404 0.020 . . . . . . A 38 ILE HD12 . 34261 2 95 . 1 1 11 11 ILE HD13 H 1 0.404 0.020 . . . . . . A 38 ILE HD13 . 34261 2 96 . 1 1 11 11 ILE C C 13 173.941 0.300 . . . . . . A 38 ILE C . 34261 2 97 . 1 1 11 11 ILE CA C 13 60.262 0.300 . . . . . . A 38 ILE CA . 34261 2 98 . 1 1 11 11 ILE CB C 13 40.721 0.300 . . . . . . A 38 ILE CB . 34261 2 99 . 1 1 11 11 ILE CG1 C 13 28.611 0.300 . . . . . . A 38 ILE CG1 . 34261 2 100 . 1 1 11 11 ILE CG2 C 13 16.062 0.300 . . . . . . A 38 ILE CG2 . 34261 2 101 . 1 1 11 11 ILE CD1 C 13 14.405 0.300 . . . . . . A 38 ILE CD1 . 34261 2 102 . 1 1 11 11 ILE N N 15 125.022 0.300 . . . . . . A 38 ILE N . 34261 2 103 . 1 1 12 12 GLU H H 1 8.631 0.020 . . . . . . A 39 GLU H . 34261 2 104 . 1 1 12 12 GLU HA H 1 5.326 0.020 . . . . . . A 39 GLU HA . 34261 2 105 . 1 1 12 12 GLU HB2 H 1 1.948 0.020 . . . . . . A 39 GLU HB2 . 34261 2 106 . 1 1 12 12 GLU HB3 H 1 1.802 0.020 . . . . . . A 39 GLU HB3 . 34261 2 107 . 1 1 12 12 GLU HG2 H 1 2.103 0.020 . . . . . . A 39 GLU HG2 . 34261 2 108 . 1 1 12 12 GLU HG3 H 1 2.103 0.020 . . . . . . A 39 GLU HG3 . 34261 2 109 . 1 1 12 12 GLU C C 13 174.569 0.300 . . . . . . A 39 GLU C . 34261 2 110 . 1 1 12 12 GLU CA C 13 54.537 0.300 . . . . . . A 39 GLU CA . 34261 2 111 . 1 1 12 12 GLU CB C 13 34.165 0.300 . . . . . . A 39 GLU CB . 34261 2 112 . 1 1 12 12 GLU CG C 13 37.216 0.300 . . . . . . A 39 GLU CG . 34261 2 113 . 1 1 12 12 GLU N N 15 127.799 0.300 . . . . . . A 39 GLU N . 34261 2 114 . 1 1 13 13 SER H H 1 7.855 0.020 . . . . . . A 40 SER H . 34261 2 115 . 1 1 13 13 SER HA H 1 4.800 0.020 . . . . . . A 40 SER HA . 34261 2 116 . 1 1 13 13 SER HB2 H 1 4.251 0.020 . . . . . . A 40 SER HB2 . 34261 2 117 . 1 1 13 13 SER HB3 H 1 3.893 0.020 . . . . . . A 40 SER HB3 . 34261 2 118 . 1 1 13 13 SER HG H 1 5.000 0.020 . . . . . . A 40 SER HG . 34261 2 119 . 1 1 13 13 SER C C 13 172.796 0.300 . . . . . . A 40 SER C . 34261 2 120 . 1 1 13 13 SER CA C 13 57.861 0.300 . . . . . . A 40 SER CA . 34261 2 121 . 1 1 13 13 SER CB C 13 67.893 0.300 . . . . . . A 40 SER CB . 34261 2 122 . 1 1 13 13 SER N N 15 114.570 0.300 . . . . . . A 40 SER N . 34261 2 123 . 1 1 14 14 ASP H H 1 8.622 0.020 . . . . . . A 41 ASP H . 34261 2 124 . 1 1 14 14 ASP HA H 1 4.761 0.020 . . . . . . A 41 ASP HA . 34261 2 125 . 1 1 14 14 ASP HB2 H 1 3.071 0.020 . . . . . . A 41 ASP HB2 . 34261 2 126 . 1 1 14 14 ASP HB3 H 1 2.807 0.020 . . . . . . A 41 ASP HB3 . 34261 2 127 . 1 1 14 14 ASP C C 13 176.517 0.300 . . . . . . A 41 ASP C . 34261 2 128 . 1 1 14 14 ASP CA C 13 57.762 0.300 . . . . . . A 41 ASP CA . 34261 2 129 . 1 1 14 14 ASP CB C 13 41.393 0.300 . . . . . . A 41 ASP CB . 34261 2 130 . 1 1 14 14 ASP N N 15 121.346 0.300 . . . . . . A 41 ASP N . 34261 2 131 . 1 1 15 15 GLN H H 1 8.514 0.020 . . . . . . A 42 GLN H . 34261 2 132 . 1 1 15 15 GLN HA H 1 4.809 0.020 . . . . . . A 42 GLN HA . 34261 2 133 . 1 1 15 15 GLN HB3 H 1 2.059 0.020 . . . . . . A 42 GLN HB3 . 34261 2 134 . 1 1 15 15 GLN CA C 13 54.855 0.300 . . . . . . A 42 GLN CA . 34261 2 135 . 1 1 15 15 GLN CB C 13 32.686 0.300 . . . . . . A 42 GLN CB . 34261 2 136 . 1 1 15 15 GLN N N 15 115.443 0.300 . . . . . . A 42 GLN N . 34261 2 137 . 1 1 16 16 GLN HA H 1 5.250 0.020 . . . . . . A 43 GLN HA . 34261 2 138 . 1 1 16 16 GLN HB2 H 1 2.011 0.020 . . . . . . A 43 GLN HB2 . 34261 2 139 . 1 1 16 16 GLN HB3 H 1 1.544 0.020 . . . . . . A 43 GLN HB3 . 34261 2 140 . 1 1 16 16 GLN HG2 H 1 2.079 0.020 . . . . . . A 43 GLN HG2 . 34261 2 141 . 1 1 16 16 GLN HG3 H 1 2.079 0.020 . . . . . . A 43 GLN HG3 . 34261 2 142 . 1 1 16 16 GLN HE21 H 1 6.597 0.020 . . . . . . A 43 GLN HE21 . 34261 2 143 . 1 1 16 16 GLN HE22 H 1 7.083 0.020 . . . . . . A 43 GLN HE22 . 34261 2 144 . 1 1 16 16 GLN C C 13 173.918 0.300 . . . . . . A 43 GLN C . 34261 2 145 . 1 1 16 16 GLN CA C 13 54.915 0.300 . . . . . . A 43 GLN CA . 34261 2 146 . 1 1 16 16 GLN CB C 13 33.068 0.300 . . . . . . A 43 GLN CB . 34261 2 147 . 1 1 16 16 GLN NE2 N 15 110.528 0.300 . . . . . . A 43 GLN NE2 . 34261 2 148 . 1 1 17 17 SER H H 1 8.456 0.020 . . . . . . A 44 SER H . 34261 2 149 . 1 1 17 17 SER HA H 1 4.576 0.020 . . . . . . A 44 SER HA . 34261 2 150 . 1 1 17 17 SER HB2 H 1 3.623 0.020 . . . . . . A 44 SER HB2 . 34261 2 151 . 1 1 17 17 SER HB3 H 1 3.623 0.020 . . . . . . A 44 SER HB3 . 34261 2 152 . 1 1 17 17 SER C C 13 172.545 0.300 . . . . . . A 44 SER C . 34261 2 153 . 1 1 17 17 SER CA C 13 57.415 0.300 . . . . . . A 44 SER CA . 34261 2 154 . 1 1 17 17 SER CB C 13 64.862 0.300 . . . . . . A 44 SER CB . 34261 2 155 . 1 1 17 17 SER N N 15 116.099 0.300 . . . . . . A 44 SER N . 34261 2 156 . 1 1 18 18 LEU H H 1 8.665 0.020 . . . . . . A 45 LEU H . 34261 2 157 . 1 1 18 18 LEU HA H 1 4.685 0.020 . . . . . . A 45 LEU HA . 34261 2 158 . 1 1 18 18 LEU HB2 H 1 1.606 0.020 . . . . . . A 45 LEU HB2 . 34261 2 159 . 1 1 18 18 LEU HB3 H 1 1.606 0.020 . . . . . . A 45 LEU HB3 . 34261 2 160 . 1 1 18 18 LEU HG H 1 1.596 0.020 . . . . . . A 45 LEU HG . 34261 2 161 . 1 1 18 18 LEU HD11 H 1 0.864 0.020 . . . . . . A 45 LEU HD11 . 34261 2 162 . 1 1 18 18 LEU HD12 H 1 0.864 0.020 . . . . . . A 45 LEU HD12 . 34261 2 163 . 1 1 18 18 LEU HD13 H 1 0.864 0.020 . . . . . . A 45 LEU HD13 . 34261 2 164 . 1 1 18 18 LEU HD21 H 1 0.864 0.020 . . . . . . A 45 LEU HD21 . 34261 2 165 . 1 1 18 18 LEU HD22 H 1 0.864 0.020 . . . . . . A 45 LEU HD22 . 34261 2 166 . 1 1 18 18 LEU HD23 H 1 0.864 0.020 . . . . . . A 45 LEU HD23 . 34261 2 167 . 1 1 18 18 LEU C C 13 175.791 0.300 . . . . . . A 45 LEU C . 34261 2 168 . 1 1 18 18 LEU CA C 13 55.298 0.300 . . . . . . A 45 LEU CA . 34261 2 169 . 1 1 18 18 LEU CB C 13 44.169 0.300 . . . . . . A 45 LEU CB . 34261 2 170 . 1 1 18 18 LEU CG C 13 28.484 0.300 . . . . . . A 45 LEU CG . 34261 2 171 . 1 1 18 18 LEU CD1 C 13 24.545 0.300 . . . . . . A 45 LEU CD1 . 34261 2 172 . 1 1 18 18 LEU CD2 C 13 25.491 0.300 . . . . . . A 45 LEU CD2 . 34261 2 173 . 1 1 18 18 LEU N N 15 127.493 0.300 . . . . . . A 45 LEU N . 34261 2 174 . 1 1 19 19 ASP H H 1 8.480 0.020 . . . . . . A 46 ASP H . 34261 2 175 . 1 1 19 19 ASP HA H 1 4.793 0.020 . . . . . . A 46 ASP HA . 34261 2 176 . 1 1 19 19 ASP HB2 H 1 2.672 0.020 . . . . . . A 46 ASP HB2 . 34261 2 177 . 1 1 19 19 ASP HB3 H 1 2.623 0.020 . . . . . . A 46 ASP HB3 . 34261 2 178 . 1 1 19 19 ASP CA C 13 52.821 0.300 . . . . . . A 46 ASP CA . 34261 2 179 . 1 1 19 19 ASP CB C 13 43.007 0.300 . . . . . . A 46 ASP CB . 34261 2 180 . 1 1 19 19 ASP N N 15 122.723 0.300 . . . . . . A 46 ASP N . 34261 2 181 . 1 1 20 20 MET CA C 13 56.712 0.300 . . . . . . A 47 MET CA . 34261 2 182 . 1 1 20 20 MET CB C 13 31.470 0.300 . . . . . . A 47 MET CB . 34261 2 183 . 1 1 21 21 GLN H H 1 8.535 0.020 . . . . . . A 48 GLN H . 34261 2 184 . 1 1 21 21 GLN HA H 1 4.040 0.020 . . . . . . A 48 GLN HA . 34261 2 185 . 1 1 21 21 GLN HB2 H 1 2.168 0.020 . . . . . . A 48 GLN HB2 . 34261 2 186 . 1 1 21 21 GLN HB3 H 1 2.168 0.020 . . . . . . A 48 GLN HB3 . 34261 2 187 . 1 1 21 21 GLN C C 13 176.304 0.300 . . . . . . A 48 GLN C . 34261 2 188 . 1 1 21 21 GLN CA C 13 57.150 0.300 . . . . . . A 48 GLN CA . 34261 2 189 . 1 1 21 21 GLN CB C 13 27.924 0.300 . . . . . . A 48 GLN CB . 34261 2 190 . 1 1 21 21 GLN N N 15 115.757 0.300 . . . . . . A 48 GLN N . 34261 2 191 . 1 1 22 22 GLY H H 1 7.807 0.020 . . . . . . A 49 GLY H . 34261 2 192 . 1 1 22 22 GLY HA2 H 1 4.067 0.020 . . . . . . A 49 GLY HA2 . 34261 2 193 . 1 1 22 22 GLY HA3 H 1 3.594 0.020 . . . . . . A 49 GLY HA3 . 34261 2 194 . 1 1 22 22 GLY C C 13 173.638 0.300 . . . . . . A 49 GLY C . 34261 2 195 . 1 1 22 22 GLY CA C 13 45.233 0.300 . . . . . . A 49 GLY CA . 34261 2 196 . 1 1 22 22 GLY N N 15 105.735 0.300 . . . . . . A 49 GLY N . 34261 2 197 . 1 1 23 23 ASN H H 1 7.984 0.020 . . . . . . A 50 ASN H . 34261 2 198 . 1 1 23 23 ASN HA H 1 4.661 0.020 . . . . . . A 50 ASN HA . 34261 2 199 . 1 1 23 23 ASN HB2 H 1 3.228 0.020 . . . . . . A 50 ASN HB2 . 34261 2 200 . 1 1 23 23 ASN HB3 H 1 2.880 0.020 . . . . . . A 50 ASN HB3 . 34261 2 201 . 1 1 23 23 ASN C C 13 173.595 0.300 . . . . . . A 50 ASN C . 34261 2 202 . 1 1 23 23 ASN CA C 13 54.305 0.300 . . . . . . A 50 ASN CA . 34261 2 203 . 1 1 23 23 ASN CB C 13 39.196 0.300 . . . . . . A 50 ASN CB . 34261 2 204 . 1 1 23 23 ASN N N 15 115.569 0.300 . . . . . . A 50 ASN N . 34261 2 205 . 1 1 24 24 VAL H H 1 7.566 0.020 . . . . . . A 51 VAL H . 34261 2 206 . 1 1 24 24 VAL HA H 1 4.934 0.020 . . . . . . A 51 VAL HA . 34261 2 207 . 1 1 24 24 VAL HB H 1 1.661 0.020 . . . . . . A 51 VAL HB . 34261 2 208 . 1 1 24 24 VAL HG11 H 1 0.737 0.020 . . . . . . A 51 VAL HG11 . 34261 2 209 . 1 1 24 24 VAL HG12 H 1 0.737 0.020 . . . . . . A 51 VAL HG12 . 34261 2 210 . 1 1 24 24 VAL HG13 H 1 0.737 0.020 . . . . . . A 51 VAL HG13 . 34261 2 211 . 1 1 24 24 VAL HG21 H 1 0.879 0.020 . . . . . . A 51 VAL HG21 . 34261 2 212 . 1 1 24 24 VAL HG22 H 1 0.879 0.020 . . . . . . A 51 VAL HG22 . 34261 2 213 . 1 1 24 24 VAL HG23 H 1 0.879 0.020 . . . . . . A 51 VAL HG23 . 34261 2 214 . 1 1 24 24 VAL C C 13 175.002 0.300 . . . . . . A 51 VAL C . 34261 2 215 . 1 1 24 24 VAL CA C 13 61.682 0.300 . . . . . . A 51 VAL CA . 34261 2 216 . 1 1 24 24 VAL CB C 13 35.133 0.300 . . . . . . A 51 VAL CB . 34261 2 217 . 1 1 24 24 VAL CG1 C 13 21.179 0.300 . . . . . . A 51 VAL CG1 . 34261 2 218 . 1 1 24 24 VAL CG2 C 13 21.532 0.300 . . . . . . A 51 VAL CG2 . 34261 2 219 . 1 1 24 24 VAL N N 15 118.527 0.300 . . . . . . A 51 VAL N . 34261 2 220 . 1 1 25 25 VAL H H 1 8.776 0.020 . . . . . . A 52 VAL H . 34261 2 221 . 1 1 25 25 VAL HA H 1 4.460 0.020 . . . . . . A 52 VAL HA . 34261 2 222 . 1 1 25 25 VAL HB H 1 1.568 0.020 . . . . . . A 52 VAL HB . 34261 2 223 . 1 1 25 25 VAL HG11 H 1 0.034 0.020 . . . . . . A 52 VAL HG11 . 34261 2 224 . 1 1 25 25 VAL HG12 H 1 0.034 0.020 . . . . . . A 52 VAL HG12 . 34261 2 225 . 1 1 25 25 VAL HG13 H 1 0.034 0.020 . . . . . . A 52 VAL HG13 . 34261 2 226 . 1 1 25 25 VAL HG21 H 1 0.609 0.020 . . . . . . A 52 VAL HG21 . 34261 2 227 . 1 1 25 25 VAL HG22 H 1 0.609 0.020 . . . . . . A 52 VAL HG22 . 34261 2 228 . 1 1 25 25 VAL HG23 H 1 0.609 0.020 . . . . . . A 52 VAL HG23 . 34261 2 229 . 1 1 25 25 VAL C C 13 173.515 0.300 . . . . . . A 52 VAL C . 34261 2 230 . 1 1 25 25 VAL CA C 13 60.819 0.300 . . . . . . A 52 VAL CA . 34261 2 231 . 1 1 25 25 VAL CB C 13 33.975 0.300 . . . . . . A 52 VAL CB . 34261 2 232 . 1 1 25 25 VAL CG1 C 13 22.490 0.300 . . . . . . A 52 VAL CG1 . 34261 2 233 . 1 1 25 25 VAL CG2 C 13 20.996 0.300 . . . . . . A 52 VAL CG2 . 34261 2 234 . 1 1 25 25 VAL N N 15 127.280 0.300 . . . . . . A 52 VAL N . 34261 2 235 . 1 1 26 26 THR H H 1 8.279 0.020 . . . . . . A 53 THR H . 34261 2 236 . 1 1 26 26 THR HA H 1 4.828 0.020 . . . . . . A 53 THR HA . 34261 2 237 . 1 1 26 26 THR HB H 1 3.752 0.020 . . . . . . A 53 THR HB . 34261 2 238 . 1 1 26 26 THR HG21 H 1 1.036 0.020 . . . . . . A 53 THR HG21 . 34261 2 239 . 1 1 26 26 THR HG22 H 1 1.036 0.020 . . . . . . A 53 THR HG22 . 34261 2 240 . 1 1 26 26 THR HG23 H 1 1.036 0.020 . . . . . . A 53 THR HG23 . 34261 2 241 . 1 1 26 26 THR C C 13 173.074 0.300 . . . . . . A 53 THR C . 34261 2 242 . 1 1 26 26 THR CA C 13 61.969 0.300 . . . . . . A 53 THR CA . 34261 2 243 . 1 1 26 26 THR CB C 13 69.851 0.300 . . . . . . A 53 THR CB . 34261 2 244 . 1 1 26 26 THR CG2 C 13 21.363 0.300 . . . . . . A 53 THR CG2 . 34261 2 245 . 1 1 26 26 THR N N 15 121.514 0.300 . . . . . . A 53 THR N . 34261 2 246 . 1 1 27 27 PHE H H 1 10.031 0.020 . . . . . . A 54 PHE H . 34261 2 247 . 1 1 27 27 PHE HA H 1 5.178 0.020 . . . . . . A 54 PHE HA . 34261 2 248 . 1 1 27 27 PHE HB2 H 1 3.138 0.020 . . . . . . A 54 PHE HB2 . 34261 2 249 . 1 1 27 27 PHE HB3 H 1 2.910 0.020 . . . . . . A 54 PHE HB3 . 34261 2 250 . 1 1 27 27 PHE HD1 H 1 7.130 0.020 . . . . . . A 54 PHE HD1 . 34261 2 251 . 1 1 27 27 PHE HD2 H 1 7.130 0.020 . . . . . . A 54 PHE HD2 . 34261 2 252 . 1 1 27 27 PHE HE1 H 1 6.754 0.020 . . . . . . A 54 PHE HE1 . 34261 2 253 . 1 1 27 27 PHE HE2 H 1 6.754 0.020 . . . . . . A 54 PHE HE2 . 34261 2 254 . 1 1 27 27 PHE HZ H 1 6.344 0.020 . . . . . . A 54 PHE HZ . 34261 2 255 . 1 1 27 27 PHE C C 13 175.210 0.300 . . . . . . A 54 PHE C . 34261 2 256 . 1 1 27 27 PHE CA C 13 56.404 0.300 . . . . . . A 54 PHE CA . 34261 2 257 . 1 1 27 27 PHE CB C 13 41.630 0.300 . . . . . . A 54 PHE CB . 34261 2 258 . 1 1 27 27 PHE CD1 C 13 133.689 0.300 . . . . . . A 54 PHE CD1 . 34261 2 259 . 1 1 27 27 PHE CE1 C 13 130.453 0.300 . . . . . . A 54 PHE CE1 . 34261 2 260 . 1 1 27 27 PHE CZ C 13 129.225 0.300 . . . . . . A 54 PHE CZ . 34261 2 261 . 1 1 27 27 PHE N N 15 128.049 0.300 . . . . . . A 54 PHE N . 34261 2 262 . 1 1 28 28 THR H H 1 8.354 0.020 . . . . . . A 55 THR H . 34261 2 263 . 1 1 28 28 THR HA H 1 5.175 0.020 . . . . . . A 55 THR HA . 34261 2 264 . 1 1 28 28 THR HB H 1 4.200 0.020 . . . . . . A 55 THR HB . 34261 2 265 . 1 1 28 28 THR HG21 H 1 1.157 0.020 . . . . . . A 55 THR HG21 . 34261 2 266 . 1 1 28 28 THR HG22 H 1 1.157 0.020 . . . . . . A 55 THR HG22 . 34261 2 267 . 1 1 28 28 THR HG23 H 1 1.157 0.020 . . . . . . A 55 THR HG23 . 34261 2 268 . 1 1 28 28 THR C C 13 173.970 0.300 . . . . . . A 55 THR C . 34261 2 269 . 1 1 28 28 THR CA C 13 60.430 0.300 . . . . . . A 55 THR CA . 34261 2 270 . 1 1 28 28 THR CB C 13 72.552 0.300 . . . . . . A 55 THR CB . 34261 2 271 . 1 1 28 28 THR CG2 C 13 21.822 0.300 . . . . . . A 55 THR CG2 . 34261 2 272 . 1 1 28 28 THR N N 15 112.944 0.300 . . . . . . A 55 THR N . 34261 2 273 . 1 1 29 29 GLY H H 1 8.206 0.020 . . . . . . A 56 GLY H . 34261 2 274 . 1 1 29 29 GLY HA2 H 1 4.372 0.020 . . . . . . A 56 GLY HA2 . 34261 2 275 . 1 1 29 29 GLY HA3 H 1 3.653 0.020 . . . . . . A 56 GLY HA3 . 34261 2 276 . 1 1 29 29 GLY C C 13 172.932 0.300 . . . . . . A 56 GLY C . 34261 2 277 . 1 1 29 29 GLY CA C 13 46.859 0.300 . . . . . . A 56 GLY CA . 34261 2 278 . 1 1 29 29 GLY N N 15 110.721 0.300 . . . . . . A 56 GLY N . 34261 2 279 . 1 1 30 30 ASN H H 1 9.547 0.020 . . . . . . A 57 ASN H . 34261 2 280 . 1 1 30 30 ASN HA H 1 4.301 0.020 . . . . . . A 57 ASN HA . 34261 2 281 . 1 1 30 30 ASN HB2 H 1 2.889 0.020 . . . . . . A 57 ASN HB2 . 34261 2 282 . 1 1 30 30 ASN HB3 H 1 2.576 0.020 . . . . . . A 57 ASN HB3 . 34261 2 283 . 1 1 30 30 ASN HD21 H 1 7.702 0.020 . . . . . . A 57 ASN HD21 . 34261 2 284 . 1 1 30 30 ASN C C 13 173.917 0.300 . . . . . . A 57 ASN C . 34261 2 285 . 1 1 30 30 ASN CA C 13 53.891 0.300 . . . . . . A 57 ASN CA . 34261 2 286 . 1 1 30 30 ASN CB C 13 37.718 0.300 . . . . . . A 57 ASN CB . 34261 2 287 . 1 1 30 30 ASN N N 15 124.661 0.300 . . . . . . A 57 ASN N . 34261 2 288 . 1 1 30 30 ASN ND2 N 15 112.146 0.300 . . . . . . A 57 ASN ND2 . 34261 2 289 . 1 1 31 31 VAL H H 1 8.432 0.020 . . . . . . A 58 VAL H . 34261 2 290 . 1 1 31 31 VAL HA H 1 4.447 0.020 . . . . . . A 58 VAL HA . 34261 2 291 . 1 1 31 31 VAL HB H 1 1.949 0.020 . . . . . . A 58 VAL HB . 34261 2 292 . 1 1 31 31 VAL HG11 H 1 0.728 0.020 . . . . . . A 58 VAL HG11 . 34261 2 293 . 1 1 31 31 VAL HG12 H 1 0.728 0.020 . . . . . . A 58 VAL HG12 . 34261 2 294 . 1 1 31 31 VAL HG13 H 1 0.728 0.020 . . . . . . A 58 VAL HG13 . 34261 2 295 . 1 1 31 31 VAL HG21 H 1 0.791 0.020 . . . . . . A 58 VAL HG21 . 34261 2 296 . 1 1 31 31 VAL HG22 H 1 0.791 0.020 . . . . . . A 58 VAL HG22 . 34261 2 297 . 1 1 31 31 VAL HG23 H 1 0.791 0.020 . . . . . . A 58 VAL HG23 . 34261 2 298 . 1 1 31 31 VAL C C 13 176.829 0.300 . . . . . . A 58 VAL C . 34261 2 299 . 1 1 31 31 VAL CA C 13 62.989 0.300 . . . . . . A 58 VAL CA . 34261 2 300 . 1 1 31 31 VAL CB C 13 31.309 0.300 . . . . . . A 58 VAL CB . 34261 2 301 . 1 1 31 31 VAL CG1 C 13 22.999 0.300 . . . . . . A 58 VAL CG1 . 34261 2 302 . 1 1 31 31 VAL CG2 C 13 20.904 0.300 . . . . . . A 58 VAL CG2 . 34261 2 303 . 1 1 31 31 VAL N N 15 120.591 0.300 . . . . . . A 58 VAL N . 34261 2 304 . 1 1 32 32 ILE H H 1 8.770 0.020 . . . . . . A 59 ILE H . 34261 2 305 . 1 1 32 32 ILE HA H 1 4.919 0.020 . . . . . . A 59 ILE HA . 34261 2 306 . 1 1 32 32 ILE HB H 1 1.600 0.020 . . . . . . A 59 ILE HB . 34261 2 307 . 1 1 32 32 ILE HG12 H 1 1.442 0.020 . . . . . . A 59 ILE HG12 . 34261 2 308 . 1 1 32 32 ILE HG21 H 1 0.762 0.020 . . . . . . A 59 ILE HG21 . 34261 2 309 . 1 1 32 32 ILE HG22 H 1 0.762 0.020 . . . . . . A 59 ILE HG22 . 34261 2 310 . 1 1 32 32 ILE HG23 H 1 0.762 0.020 . . . . . . A 59 ILE HG23 . 34261 2 311 . 1 1 32 32 ILE HD11 H 1 0.770 0.020 . . . . . . A 59 ILE HD11 . 34261 2 312 . 1 1 32 32 ILE HD12 H 1 0.770 0.020 . . . . . . A 59 ILE HD12 . 34261 2 313 . 1 1 32 32 ILE HD13 H 1 0.770 0.020 . . . . . . A 59 ILE HD13 . 34261 2 314 . 1 1 32 32 ILE C C 13 175.519 0.300 . . . . . . A 59 ILE C . 34261 2 315 . 1 1 32 32 ILE CA C 13 60.420 0.300 . . . . . . A 59 ILE CA . 34261 2 316 . 1 1 32 32 ILE CB C 13 40.886 0.300 . . . . . . A 59 ILE CB . 34261 2 317 . 1 1 32 32 ILE CG1 C 13 27.235 0.300 . . . . . . A 59 ILE CG1 . 34261 2 318 . 1 1 32 32 ILE CG2 C 13 17.644 0.300 . . . . . . A 59 ILE CG2 . 34261 2 319 . 1 1 32 32 ILE CD1 C 13 13.657 0.300 . . . . . . A 59 ILE CD1 . 34261 2 320 . 1 1 32 32 ILE N N 15 128.021 0.300 . . . . . . A 59 ILE N . 34261 2 321 . 1 1 33 33 VAL H H 1 9.399 0.020 . . . . . . A 60 VAL H . 34261 2 322 . 1 1 33 33 VAL HA H 1 4.875 0.020 . . . . . . A 60 VAL HA . 34261 2 323 . 1 1 33 33 VAL HB H 1 2.152 0.020 . . . . . . A 60 VAL HB . 34261 2 324 . 1 1 33 33 VAL HG11 H 1 0.743 0.020 . . . . . . A 60 VAL HG11 . 34261 2 325 . 1 1 33 33 VAL HG12 H 1 0.743 0.020 . . . . . . A 60 VAL HG12 . 34261 2 326 . 1 1 33 33 VAL HG13 H 1 0.743 0.020 . . . . . . A 60 VAL HG13 . 34261 2 327 . 1 1 33 33 VAL HG21 H 1 0.743 0.020 . . . . . . A 60 VAL HG21 . 34261 2 328 . 1 1 33 33 VAL HG22 H 1 0.743 0.020 . . . . . . A 60 VAL HG22 . 34261 2 329 . 1 1 33 33 VAL HG23 H 1 0.743 0.020 . . . . . . A 60 VAL HG23 . 34261 2 330 . 1 1 33 33 VAL C C 13 174.947 0.300 . . . . . . A 60 VAL C . 34261 2 331 . 1 1 33 33 VAL CA C 13 60.334 0.300 . . . . . . A 60 VAL CA . 34261 2 332 . 1 1 33 33 VAL CB C 13 33.075 0.300 . . . . . . A 60 VAL CB . 34261 2 333 . 1 1 33 33 VAL N N 15 130.515 0.300 . . . . . . A 60 VAL N . 34261 2 334 . 1 1 34 34 THR H H 1 9.657 0.020 . . . . . . A 61 THR H . 34261 2 335 . 1 1 34 34 THR HA H 1 5.442 0.020 . . . . . . A 61 THR HA . 34261 2 336 . 1 1 34 34 THR HB H 1 4.120 0.020 . . . . . . A 61 THR HB . 34261 2 337 . 1 1 34 34 THR HG21 H 1 1.181 0.020 . . . . . . A 61 THR HG21 . 34261 2 338 . 1 1 34 34 THR HG22 H 1 1.181 0.020 . . . . . . A 61 THR HG22 . 34261 2 339 . 1 1 34 34 THR HG23 H 1 1.181 0.020 . . . . . . A 61 THR HG23 . 34261 2 340 . 1 1 34 34 THR C C 13 173.611 0.300 . . . . . . A 61 THR C . 34261 2 341 . 1 1 34 34 THR CA C 13 59.707 0.300 . . . . . . A 61 THR CA . 34261 2 342 . 1 1 34 34 THR CB C 13 71.939 0.300 . . . . . . A 61 THR CB . 34261 2 343 . 1 1 34 34 THR N N 15 119.898 0.300 . . . . . . A 61 THR N . 34261 2 344 . 1 1 35 35 GLN H H 1 8.543 0.020 . . . . . . A 62 GLN H . 34261 2 345 . 1 1 35 35 GLN HA H 1 4.663 0.020 . . . . . . A 62 GLN HA . 34261 2 346 . 1 1 35 35 GLN HB2 H 1 2.285 0.020 . . . . . . A 62 GLN HB2 . 34261 2 347 . 1 1 35 35 GLN HB3 H 1 2.213 0.020 . . . . . . A 62 GLN HB3 . 34261 2 348 . 1 1 35 35 GLN HG2 H 1 2.399 0.020 . . . . . . A 62 GLN HG2 . 34261 2 349 . 1 1 35 35 GLN HG3 H 1 2.149 0.020 . . . . . . A 62 GLN HG3 . 34261 2 350 . 1 1 35 35 GLN HE21 H 1 6.212 0.020 . . . . . . A 62 GLN HE21 . 34261 2 351 . 1 1 35 35 GLN HE22 H 1 7.726 0.020 . . . . . . A 62 GLN HE22 . 34261 2 352 . 1 1 35 35 GLN C C 13 175.495 0.300 . . . . . . A 62 GLN C . 34261 2 353 . 1 1 35 35 GLN CA C 13 55.259 0.300 . . . . . . A 62 GLN CA . 34261 2 354 . 1 1 35 35 GLN CB C 13 29.348 0.300 . . . . . . A 62 GLN CB . 34261 2 355 . 1 1 35 35 GLN N N 15 124.825 0.300 . . . . . . A 62 GLN N . 34261 2 356 . 1 1 35 35 GLN NE2 N 15 108.277 0.300 . . . . . . A 62 GLN NE2 . 34261 2 357 . 1 1 36 36 GLY H H 1 9.167 0.020 . . . . . . A 63 GLY H . 34261 2 358 . 1 1 36 36 GLY HA2 H 1 4.361 0.020 . . . . . . A 63 GLY HA2 . 34261 2 359 . 1 1 36 36 GLY HA3 H 1 3.604 0.020 . . . . . . A 63 GLY HA3 . 34261 2 360 . 1 1 36 36 GLY C C 13 176.087 0.300 . . . . . . A 63 GLY C . 34261 2 361 . 1 1 36 36 GLY CA C 13 46.806 0.300 . . . . . . A 63 GLY CA . 34261 2 362 . 1 1 36 36 GLY N N 15 116.566 0.300 . . . . . . A 63 GLY N . 34261 2 363 . 1 1 37 37 THR H H 1 9.535 0.020 . . . . . . A 64 THR H . 34261 2 364 . 1 1 37 37 THR HA H 1 4.411 0.020 . . . . . . A 64 THR HA . 34261 2 365 . 1 1 37 37 THR HB H 1 4.520 0.020 . . . . . . A 64 THR HB . 34261 2 366 . 1 1 37 37 THR HG21 H 1 1.384 0.020 . . . . . . A 64 THR HG21 . 34261 2 367 . 1 1 37 37 THR HG22 H 1 1.384 0.020 . . . . . . A 64 THR HG22 . 34261 2 368 . 1 1 37 37 THR HG23 H 1 1.384 0.020 . . . . . . A 64 THR HG23 . 34261 2 369 . 1 1 37 37 THR C C 13 175.026 0.300 . . . . . . A 64 THR C . 34261 2 370 . 1 1 37 37 THR CA C 13 63.100 0.300 . . . . . . A 64 THR CA . 34261 2 371 . 1 1 37 37 THR CB C 13 70.151 0.300 . . . . . . A 64 THR CB . 34261 2 372 . 1 1 37 37 THR CG2 C 13 22.550 0.300 . . . . . . A 64 THR CG2 . 34261 2 373 . 1 1 37 37 THR N N 15 120.499 0.300 . . . . . . A 64 THR N . 34261 2 374 . 1 1 38 38 ILE H H 1 8.187 0.020 . . . . . . A 65 ILE H . 34261 2 375 . 1 1 38 38 ILE HA H 1 4.439 0.020 . . . . . . A 65 ILE HA . 34261 2 376 . 1 1 38 38 ILE HB H 1 2.330 0.020 . . . . . . A 65 ILE HB . 34261 2 377 . 1 1 38 38 ILE HG21 H 1 0.657 0.020 . . . . . . A 65 ILE HG21 . 34261 2 378 . 1 1 38 38 ILE HG22 H 1 0.657 0.020 . . . . . . A 65 ILE HG22 . 34261 2 379 . 1 1 38 38 ILE HG23 H 1 0.657 0.020 . . . . . . A 65 ILE HG23 . 34261 2 380 . 1 1 38 38 ILE HD11 H 1 0.893 0.020 . . . . . . A 65 ILE HD11 . 34261 2 381 . 1 1 38 38 ILE HD12 H 1 0.893 0.020 . . . . . . A 65 ILE HD12 . 34261 2 382 . 1 1 38 38 ILE HD13 H 1 0.893 0.020 . . . . . . A 65 ILE HD13 . 34261 2 383 . 1 1 38 38 ILE C C 13 176.693 0.300 . . . . . . A 65 ILE C . 34261 2 384 . 1 1 38 38 ILE CA C 13 62.368 0.300 . . . . . . A 65 ILE CA . 34261 2 385 . 1 1 38 38 ILE CB C 13 37.352 0.300 . . . . . . A 65 ILE CB . 34261 2 386 . 1 1 38 38 ILE CG1 C 13 29.750 0.300 . . . . . . A 65 ILE CG1 . 34261 2 387 . 1 1 38 38 ILE CG2 C 13 15.974 0.300 . . . . . . A 65 ILE CG2 . 34261 2 388 . 1 1 38 38 ILE CD1 C 13 13.600 0.300 . . . . . . A 65 ILE CD1 . 34261 2 389 . 1 1 38 38 ILE N N 15 123.270 0.300 . . . . . . A 65 ILE N . 34261 2 390 . 1 1 39 39 LYS H H 1 9.130 0.020 . . . . . . A 66 LYS H . 34261 2 391 . 1 1 39 39 LYS HA H 1 5.345 0.020 . . . . . . A 66 LYS HA . 34261 2 392 . 1 1 39 39 LYS HB2 H 1 1.519 0.020 . . . . . . A 66 LYS HB2 . 34261 2 393 . 1 1 39 39 LYS HB3 H 1 1.519 0.020 . . . . . . A 66 LYS HB3 . 34261 2 394 . 1 1 39 39 LYS HG2 H 1 1.147 0.020 . . . . . . A 66 LYS HG2 . 34261 2 395 . 1 1 39 39 LYS HG3 H 1 1.147 0.020 . . . . . . A 66 LYS HG3 . 34261 2 396 . 1 1 39 39 LYS HD2 H 1 1.423 0.020 . . . . . . A 66 LYS HD2 . 34261 2 397 . 1 1 39 39 LYS HD3 H 1 1.423 0.020 . . . . . . A 66 LYS HD3 . 34261 2 398 . 1 1 39 39 LYS HE2 H 1 2.694 0.020 . . . . . . A 66 LYS HE2 . 34261 2 399 . 1 1 39 39 LYS HE3 H 1 2.694 0.020 . . . . . . A 66 LYS HE3 . 34261 2 400 . 1 1 39 39 LYS C C 13 176.115 0.300 . . . . . . A 66 LYS C . 34261 2 401 . 1 1 39 39 LYS CA C 13 55.023 0.300 . . . . . . A 66 LYS CA . 34261 2 402 . 1 1 39 39 LYS CB C 13 35.866 0.300 . . . . . . A 66 LYS CB . 34261 2 403 . 1 1 39 39 LYS CG C 13 24.455 0.300 . . . . . . A 66 LYS CG . 34261 2 404 . 1 1 39 39 LYS CD C 13 29.201 0.300 . . . . . . A 66 LYS CD . 34261 2 405 . 1 1 39 39 LYS CE C 13 41.775 0.300 . . . . . . A 66 LYS CE . 34261 2 406 . 1 1 39 39 LYS N N 15 128.495 0.300 . . . . . . A 66 LYS N . 34261 2 407 . 1 1 40 40 ILE H H 1 9.536 0.020 . . . . . . A 67 ILE H . 34261 2 408 . 1 1 40 40 ILE HA H 1 5.169 0.020 . . . . . . A 67 ILE HA . 34261 2 409 . 1 1 40 40 ILE HB H 1 1.543 0.020 . . . . . . A 67 ILE HB . 34261 2 410 . 1 1 40 40 ILE HG21 H 1 0.839 0.020 . . . . . . A 67 ILE HG21 . 34261 2 411 . 1 1 40 40 ILE HG22 H 1 0.839 0.020 . . . . . . A 67 ILE HG22 . 34261 2 412 . 1 1 40 40 ILE HG23 H 1 0.839 0.020 . . . . . . A 67 ILE HG23 . 34261 2 413 . 1 1 40 40 ILE HD11 H 1 0.739 0.020 . . . . . . A 67 ILE HD11 . 34261 2 414 . 1 1 40 40 ILE HD12 H 1 0.739 0.020 . . . . . . A 67 ILE HD12 . 34261 2 415 . 1 1 40 40 ILE HD13 H 1 0.739 0.020 . . . . . . A 67 ILE HD13 . 34261 2 416 . 1 1 40 40 ILE C C 13 174.209 0.300 . . . . . . A 67 ILE C . 34261 2 417 . 1 1 40 40 ILE CA C 13 59.428 0.300 . . . . . . A 67 ILE CA . 34261 2 418 . 1 1 40 40 ILE CB C 13 42.647 0.300 . . . . . . A 67 ILE CB . 34261 2 419 . 1 1 40 40 ILE CG1 C 13 28.493 0.300 . . . . . . A 67 ILE CG1 . 34261 2 420 . 1 1 40 40 ILE CG2 C 13 15.637 0.300 . . . . . . A 67 ILE CG2 . 34261 2 421 . 1 1 40 40 ILE CD1 C 13 12.789 0.300 . . . . . . A 67 ILE CD1 . 34261 2 422 . 1 1 40 40 ILE N N 15 128.470 0.300 . . . . . . A 67 ILE N . 34261 2 423 . 1 1 41 41 ASN H H 1 8.267 0.020 . . . . . . A 68 ASN H . 34261 2 424 . 1 1 41 41 ASN HA H 1 5.658 0.020 . . . . . . A 68 ASN HA . 34261 2 425 . 1 1 41 41 ASN HB2 H 1 2.893 0.020 . . . . . . A 68 ASN HB2 . 34261 2 426 . 1 1 41 41 ASN HB3 H 1 2.679 0.020 . . . . . . A 68 ASN HB3 . 34261 2 427 . 1 1 41 41 ASN C C 13 173.415 0.300 . . . . . . A 68 ASN C . 34261 2 428 . 1 1 41 41 ASN CA C 13 51.957 0.300 . . . . . . A 68 ASN CA . 34261 2 429 . 1 1 41 41 ASN CB C 13 40.908 0.300 . . . . . . A 68 ASN CB . 34261 2 430 . 1 1 41 41 ASN N N 15 125.116 0.300 . . . . . . A 68 ASN N . 34261 2 431 . 1 1 42 42 ALA H H 1 8.641 0.020 . . . . . . A 69 ALA H . 34261 2 432 . 1 1 42 42 ALA HA H 1 4.775 0.020 . . . . . . A 69 ALA HA . 34261 2 433 . 1 1 42 42 ALA HB1 H 1 1.291 0.020 . . . . . . A 69 ALA HB1 . 34261 2 434 . 1 1 42 42 ALA HB2 H 1 1.291 0.020 . . . . . . A 69 ALA HB2 . 34261 2 435 . 1 1 42 42 ALA HB3 H 1 1.291 0.020 . . . . . . A 69 ALA HB3 . 34261 2 436 . 1 1 42 42 ALA C C 13 174.594 0.300 . . . . . . A 69 ALA C . 34261 2 437 . 1 1 42 42 ALA CA C 13 51.270 0.300 . . . . . . A 69 ALA CA . 34261 2 438 . 1 1 42 42 ALA CB C 13 22.239 0.300 . . . . . . A 69 ALA CB . 34261 2 439 . 1 1 42 42 ALA N N 15 122.939 0.300 . . . . . . A 69 ALA N . 34261 2 440 . 1 1 43 43 ASP H H 1 8.389 0.020 . . . . . . A 70 ASP H . 34261 2 441 . 1 1 43 43 ASP HA H 1 4.925 0.020 . . . . . . A 70 ASP HA . 34261 2 442 . 1 1 43 43 ASP HB2 H 1 2.912 0.020 . . . . . . A 70 ASP HB2 . 34261 2 443 . 1 1 43 43 ASP HB3 H 1 2.753 0.020 . . . . . . A 70 ASP HB3 . 34261 2 444 . 1 1 43 43 ASP C C 13 176.182 0.300 . . . . . . A 70 ASP C . 34261 2 445 . 1 1 43 43 ASP CA C 13 56.750 0.300 . . . . . . A 70 ASP CA . 34261 2 446 . 1 1 43 43 ASP CB C 13 42.481 0.300 . . . . . . A 70 ASP CB . 34261 2 447 . 1 1 43 43 ASP N N 15 118.847 0.300 . . . . . . A 70 ASP N . 34261 2 448 . 1 1 44 44 LYS H H 1 7.976 0.020 . . . . . . A 71 LYS H . 34261 2 449 . 1 1 44 44 LYS HA H 1 5.435 0.020 . . . . . . A 71 LYS HA . 34261 2 450 . 1 1 44 44 LYS HB2 H 1 1.922 0.020 . . . . . . A 71 LYS HB2 . 34261 2 451 . 1 1 44 44 LYS HB3 H 1 1.766 0.020 . . . . . . A 71 LYS HB3 . 34261 2 452 . 1 1 44 44 LYS HG2 H 1 1.462 0.020 . . . . . . A 71 LYS HG2 . 34261 2 453 . 1 1 44 44 LYS HG3 H 1 1.462 0.020 . . . . . . A 71 LYS HG3 . 34261 2 454 . 1 1 44 44 LYS C C 13 174.595 0.300 . . . . . . A 71 LYS C . 34261 2 455 . 1 1 44 44 LYS CA C 13 54.776 0.300 . . . . . . A 71 LYS CA . 34261 2 456 . 1 1 44 44 LYS CB C 13 35.916 0.300 . . . . . . A 71 LYS CB . 34261 2 457 . 1 1 44 44 LYS CG C 13 25.201 0.300 . . . . . . A 71 LYS CG . 34261 2 458 . 1 1 44 44 LYS CD C 13 29.331 0.300 . . . . . . A 71 LYS CD . 34261 2 459 . 1 1 44 44 LYS CE C 13 41.954 0.300 . . . . . . A 71 LYS CE . 34261 2 460 . 1 1 44 44 LYS N N 15 119.257 0.300 . . . . . . A 71 LYS N . 34261 2 461 . 1 1 45 45 VAL H H 1 9.729 0.020 . . . . . . A 72 VAL H . 34261 2 462 . 1 1 45 45 VAL HA H 1 5.607 0.020 . . . . . . A 72 VAL HA . 34261 2 463 . 1 1 45 45 VAL HB H 1 1.957 0.020 . . . . . . A 72 VAL HB . 34261 2 464 . 1 1 45 45 VAL HG11 H 1 0.835 0.020 . . . . . . A 72 VAL HG11 . 34261 2 465 . 1 1 45 45 VAL HG12 H 1 0.835 0.020 . . . . . . A 72 VAL HG12 . 34261 2 466 . 1 1 45 45 VAL HG13 H 1 0.835 0.020 . . . . . . A 72 VAL HG13 . 34261 2 467 . 1 1 45 45 VAL HG21 H 1 0.888 0.020 . . . . . . A 72 VAL HG21 . 34261 2 468 . 1 1 45 45 VAL HG22 H 1 0.888 0.020 . . . . . . A 72 VAL HG22 . 34261 2 469 . 1 1 45 45 VAL HG23 H 1 0.888 0.020 . . . . . . A 72 VAL HG23 . 34261 2 470 . 1 1 45 45 VAL C C 13 173.366 0.300 . . . . . . A 72 VAL C . 34261 2 471 . 1 1 45 45 VAL CA C 13 59.886 0.300 . . . . . . A 72 VAL CA . 34261 2 472 . 1 1 45 45 VAL CB C 13 36.844 0.300 . . . . . . A 72 VAL CB . 34261 2 473 . 1 1 45 45 VAL CG1 C 13 23.429 0.300 . . . . . . A 72 VAL CG1 . 34261 2 474 . 1 1 45 45 VAL CG2 C 13 21.942 0.300 . . . . . . A 72 VAL CG2 . 34261 2 475 . 1 1 45 45 VAL N N 15 127.350 0.300 . . . . . . A 72 VAL N . 34261 2 476 . 1 1 46 46 VAL H H 1 9.789 0.020 . . . . . . A 73 VAL H . 34261 2 477 . 1 1 46 46 VAL HA H 1 4.999 0.020 . . . . . . A 73 VAL HA . 34261 2 478 . 1 1 46 46 VAL HB H 1 2.238 0.020 . . . . . . A 73 VAL HB . 34261 2 479 . 1 1 46 46 VAL HG11 H 1 0.886 0.020 . . . . . . A 73 VAL HG11 . 34261 2 480 . 1 1 46 46 VAL HG12 H 1 0.886 0.020 . . . . . . A 73 VAL HG12 . 34261 2 481 . 1 1 46 46 VAL HG13 H 1 0.886 0.020 . . . . . . A 73 VAL HG13 . 34261 2 482 . 1 1 46 46 VAL HG21 H 1 0.886 0.020 . . . . . . A 73 VAL HG21 . 34261 2 483 . 1 1 46 46 VAL HG22 H 1 0.886 0.020 . . . . . . A 73 VAL HG22 . 34261 2 484 . 1 1 46 46 VAL HG23 H 1 0.886 0.020 . . . . . . A 73 VAL HG23 . 34261 2 485 . 1 1 46 46 VAL C C 13 176.347 0.300 . . . . . . A 73 VAL C . 34261 2 486 . 1 1 46 46 VAL CA C 13 61.096 0.300 . . . . . . A 73 VAL CA . 34261 2 487 . 1 1 46 46 VAL CB C 13 34.660 0.300 . . . . . . A 73 VAL CB . 34261 2 488 . 1 1 46 46 VAL CG2 C 13 21.314 0.300 . . . . . . A 73 VAL CG2 . 34261 2 489 . 1 1 46 46 VAL N N 15 128.804 0.300 . . . . . . A 73 VAL N . 34261 2 490 . 1 1 47 47 VAL H H 1 9.480 0.020 . . . . . . A 74 VAL H . 34261 2 491 . 1 1 47 47 VAL HA H 1 5.120 0.020 . . . . . . A 74 VAL HA . 34261 2 492 . 1 1 47 47 VAL HB H 1 2.109 0.020 . . . . . . A 74 VAL HB . 34261 2 493 . 1 1 47 47 VAL HG11 H 1 0.843 0.020 . . . . . . A 74 VAL HG11 . 34261 2 494 . 1 1 47 47 VAL HG12 H 1 0.843 0.020 . . . . . . A 74 VAL HG12 . 34261 2 495 . 1 1 47 47 VAL HG13 H 1 0.843 0.020 . . . . . . A 74 VAL HG13 . 34261 2 496 . 1 1 47 47 VAL HG21 H 1 1.009 0.020 . . . . . . A 74 VAL HG21 . 34261 2 497 . 1 1 47 47 VAL HG22 H 1 1.009 0.020 . . . . . . A 74 VAL HG22 . 34261 2 498 . 1 1 47 47 VAL HG23 H 1 1.009 0.020 . . . . . . A 74 VAL HG23 . 34261 2 499 . 1 1 47 47 VAL C C 13 174.499 0.300 . . . . . . A 74 VAL C . 34261 2 500 . 1 1 47 47 VAL CA C 13 61.199 0.300 . . . . . . A 74 VAL CA . 34261 2 501 . 1 1 47 47 VAL CB C 13 32.865 0.300 . . . . . . A 74 VAL CB . 34261 2 502 . 1 1 47 47 VAL CG1 C 13 21.124 0.300 . . . . . . A 74 VAL CG1 . 34261 2 503 . 1 1 47 47 VAL CG2 C 13 22.293 0.300 . . . . . . A 74 VAL CG2 . 34261 2 504 . 1 1 47 47 VAL N N 15 129.930 0.300 . . . . . . A 74 VAL N . 34261 2 505 . 1 1 48 48 THR H H 1 8.825 0.020 . . . . . . A 75 THR H . 34261 2 506 . 1 1 48 48 THR HA H 1 4.973 0.020 . . . . . . A 75 THR HA . 34261 2 507 . 1 1 48 48 THR HB H 1 3.919 0.020 . . . . . . A 75 THR HB . 34261 2 508 . 1 1 48 48 THR HG21 H 1 1.117 0.020 . . . . . . A 75 THR HG21 . 34261 2 509 . 1 1 48 48 THR HG22 H 1 1.117 0.020 . . . . . . A 75 THR HG22 . 34261 2 510 . 1 1 48 48 THR HG23 H 1 1.117 0.020 . . . . . . A 75 THR HG23 . 34261 2 511 . 1 1 48 48 THR C C 13 173.517 0.300 . . . . . . A 75 THR C . 34261 2 512 . 1 1 48 48 THR CA C 13 61.078 0.300 . . . . . . A 75 THR CA . 34261 2 513 . 1 1 48 48 THR CB C 13 70.777 0.300 . . . . . . A 75 THR CB . 34261 2 514 . 1 1 48 48 THR CG2 C 13 21.224 0.300 . . . . . . A 75 THR CG2 . 34261 2 515 . 1 1 48 48 THR N N 15 122.001 0.300 . . . . . . A 75 THR N . 34261 2 516 . 1 1 49 49 ARG H H 1 8.985 0.020 . . . . . . A 76 ARG H . 34261 2 517 . 1 1 49 49 ARG HB2 H 1 1.956 0.020 . . . . . . A 76 ARG HB2 . 34261 2 518 . 1 1 49 49 ARG HB3 H 1 1.956 0.020 . . . . . . A 76 ARG HB3 . 34261 2 519 . 1 1 49 49 ARG HG2 H 1 1.501 0.020 . . . . . . A 76 ARG HG2 . 34261 2 520 . 1 1 49 49 ARG HG3 H 1 1.501 0.020 . . . . . . A 76 ARG HG3 . 34261 2 521 . 1 1 49 49 ARG CA C 13 52.752 0.300 . . . . . . A 76 ARG CA . 34261 2 522 . 1 1 49 49 ARG CB C 13 31.233 0.300 . . . . . . A 76 ARG CB . 34261 2 523 . 1 1 49 49 ARG CD C 13 43.570 0.300 . . . . . . A 76 ARG CD . 34261 2 524 . 1 1 49 49 ARG N N 15 126.694 0.300 . . . . . . A 76 ARG N . 34261 2 525 . 1 1 50 50 PRO HA H 1 4.269 0.020 . . . . . . A 77 PRO HA . 34261 2 526 . 1 1 50 50 PRO HB2 H 1 2.223 0.020 . . . . . . A 77 PRO HB2 . 34261 2 527 . 1 1 50 50 PRO HB3 H 1 1.905 0.020 . . . . . . A 77 PRO HB3 . 34261 2 528 . 1 1 50 50 PRO HG2 H 1 2.103 0.020 . . . . . . A 77 PRO HG2 . 34261 2 529 . 1 1 50 50 PRO HG3 H 1 1.883 0.020 . . . . . . A 77 PRO HG3 . 34261 2 530 . 1 1 50 50 PRO HD2 H 1 3.684 0.020 . . . . . . A 77 PRO HD2 . 34261 2 531 . 1 1 50 50 PRO HD3 H 1 3.556 0.020 . . . . . . A 77 PRO HD3 . 34261 2 532 . 1 1 50 50 PRO CA C 13 63.783 0.300 . . . . . . A 77 PRO CA . 34261 2 533 . 1 1 50 50 PRO CB C 13 31.455 0.300 . . . . . . A 77 PRO CB . 34261 2 534 . 1 1 50 50 PRO CG C 13 27.686 0.300 . . . . . . A 77 PRO CG . 34261 2 535 . 1 1 50 50 PRO CD C 13 51.427 0.300 . . . . . . A 77 PRO CD . 34261 2 536 . 1 1 51 51 GLY HA2 H 1 3.907 0.020 . . . . . . A 78 GLY HA2 . 34261 2 537 . 1 1 51 51 GLY HA3 H 1 3.907 0.020 . . . . . . A 78 GLY HA3 . 34261 2 538 . 1 1 51 51 GLY C C 13 174.717 0.300 . . . . . . A 78 GLY C . 34261 2 539 . 1 1 51 51 GLY CA C 13 46.224 0.300 . . . . . . A 78 GLY CA . 34261 2 540 . 1 1 52 52 GLY H H 1 8.181 0.020 . . . . . . A 79 GLY H . 34261 2 541 . 1 1 52 52 GLY HA2 H 1 4.063 0.020 . . . . . . A 79 GLY HA2 . 34261 2 542 . 1 1 52 52 GLY HA3 H 1 3.474 0.020 . . . . . . A 79 GLY HA3 . 34261 2 543 . 1 1 52 52 GLY C C 13 173.946 0.300 . . . . . . A 79 GLY C . 34261 2 544 . 1 1 52 52 GLY CA C 13 46.007 0.300 . . . . . . A 79 GLY CA . 34261 2 545 . 1 1 52 52 GLY N N 15 107.222 0.300 . . . . . . A 79 GLY N . 34261 2 546 . 1 1 53 53 GLU H H 1 7.253 0.020 . . . . . . A 80 GLU H . 34261 2 547 . 1 1 53 53 GLU HA H 1 4.146 0.020 . . . . . . A 80 GLU HA . 34261 2 548 . 1 1 53 53 GLU HB2 H 1 1.811 0.020 . . . . . . A 80 GLU HB2 . 34261 2 549 . 1 1 53 53 GLU HB3 H 1 1.811 0.020 . . . . . . A 80 GLU HB3 . 34261 2 550 . 1 1 53 53 GLU HG2 H 1 2.177 0.020 . . . . . . A 80 GLU HG2 . 34261 2 551 . 1 1 53 53 GLU HG3 H 1 1.952 0.020 . . . . . . A 80 GLU HG3 . 34261 2 552 . 1 1 53 53 GLU C C 13 174.561 0.300 . . . . . . A 80 GLU C . 34261 2 553 . 1 1 53 53 GLU CA C 13 56.310 0.300 . . . . . . A 80 GLU CA . 34261 2 554 . 1 1 53 53 GLU CB C 13 29.947 0.300 . . . . . . A 80 GLU CB . 34261 2 555 . 1 1 53 53 GLU N N 15 121.165 0.300 . . . . . . A 80 GLU N . 34261 2 556 . 1 1 54 54 GLN H H 1 8.490 0.020 . . . . . . A 81 GLN H . 34261 2 557 . 1 1 54 54 GLN HA H 1 4.079 0.020 . . . . . . A 81 GLN HA . 34261 2 558 . 1 1 54 54 GLN HB2 H 1 1.952 0.020 . . . . . . A 81 GLN HB2 . 34261 2 559 . 1 1 54 54 GLN HB3 H 1 1.952 0.020 . . . . . . A 81 GLN HB3 . 34261 2 560 . 1 1 54 54 GLN HG2 H 1 2.436 0.020 . . . . . . A 81 GLN HG2 . 34261 2 561 . 1 1 54 54 GLN HG3 H 1 2.255 0.020 . . . . . . A 81 GLN HG3 . 34261 2 562 . 1 1 54 54 GLN C C 13 177.118 0.300 . . . . . . A 81 GLN C . 34261 2 563 . 1 1 54 54 GLN CA C 13 57.294 0.300 . . . . . . A 81 GLN CA . 34261 2 564 . 1 1 54 54 GLN CB C 13 28.334 0.300 . . . . . . A 81 GLN CB . 34261 2 565 . 1 1 54 54 GLN CG C 13 33.889 0.300 . . . . . . A 81 GLN CG . 34261 2 566 . 1 1 54 54 GLN N N 15 126.398 0.300 . . . . . . A 81 GLN N . 34261 2 567 . 1 1 55 55 GLY H H 1 9.430 0.020 . . . . . . A 82 GLY H . 34261 2 568 . 1 1 55 55 GLY HA2 H 1 4.292 0.020 . . . . . . A 82 GLY HA2 . 34261 2 569 . 1 1 55 55 GLY HA3 H 1 3.973 0.020 . . . . . . A 82 GLY HA3 . 34261 2 570 . 1 1 55 55 GLY C C 13 174.112 0.300 . . . . . . A 82 GLY C . 34261 2 571 . 1 1 55 55 GLY CA C 13 45.048 0.300 . . . . . . A 82 GLY CA . 34261 2 572 . 1 1 55 55 GLY N N 15 114.391 0.300 . . . . . . A 82 GLY N . 34261 2 573 . 1 1 56 56 LYS H H 1 7.109 0.020 . . . . . . A 83 LYS H . 34261 2 574 . 1 1 56 56 LYS HA H 1 4.619 0.020 . . . . . . A 83 LYS HA . 34261 2 575 . 1 1 56 56 LYS HB2 H 1 2.022 0.020 . . . . . . A 83 LYS HB2 . 34261 2 576 . 1 1 56 56 LYS HB3 H 1 1.656 0.020 . . . . . . A 83 LYS HB3 . 34261 2 577 . 1 1 56 56 LYS HG2 H 1 1.289 0.020 . . . . . . A 83 LYS HG2 . 34261 2 578 . 1 1 56 56 LYS HG3 H 1 1.064 0.020 . . . . . . A 83 LYS HG3 . 34261 2 579 . 1 1 56 56 LYS C C 13 175.775 0.300 . . . . . . A 83 LYS C . 34261 2 580 . 1 1 56 56 LYS CA C 13 53.928 0.300 . . . . . . A 83 LYS CA . 34261 2 581 . 1 1 56 56 LYS CB C 13 31.307 0.300 . . . . . . A 83 LYS CB . 34261 2 582 . 1 1 56 56 LYS N N 15 117.480 0.300 . . . . . . A 83 LYS N . 34261 2 583 . 1 1 57 57 GLU H H 1 8.701 0.020 . . . . . . A 84 GLU H . 34261 2 584 . 1 1 57 57 GLU HA H 1 4.658 0.020 . . . . . . A 84 GLU HA . 34261 2 585 . 1 1 57 57 GLU HB2 H 1 2.149 0.020 . . . . . . A 84 GLU HB2 . 34261 2 586 . 1 1 57 57 GLU HB3 H 1 2.149 0.020 . . . . . . A 84 GLU HB3 . 34261 2 587 . 1 1 57 57 GLU HG2 H 1 2.362 0.020 . . . . . . A 84 GLU HG2 . 34261 2 588 . 1 1 57 57 GLU HG3 H 1 2.362 0.020 . . . . . . A 84 GLU HG3 . 34261 2 589 . 1 1 57 57 GLU C C 13 176.000 0.300 . . . . . . A 84 GLU C . 34261 2 590 . 1 1 57 57 GLU CA C 13 59.176 0.300 . . . . . . A 84 GLU CA . 34261 2 591 . 1 1 57 57 GLU CB C 13 28.638 0.300 . . . . . . A 84 GLU CB . 34261 2 592 . 1 1 57 57 GLU CG C 13 37.239 0.300 . . . . . . A 84 GLU CG . 34261 2 593 . 1 1 57 57 GLU N N 15 117.220 0.300 . . . . . . A 84 GLU N . 34261 2 594 . 1 1 58 58 VAL H H 1 8.605 0.020 . . . . . . A 85 VAL H . 34261 2 595 . 1 1 58 58 VAL HA H 1 4.502 0.020 . . . . . . A 85 VAL HA . 34261 2 596 . 1 1 58 58 VAL HB H 1 1.835 0.020 . . . . . . A 85 VAL HB . 34261 2 597 . 1 1 58 58 VAL HG11 H 1 0.692 0.020 . . . . . . A 85 VAL HG11 . 34261 2 598 . 1 1 58 58 VAL HG12 H 1 0.692 0.020 . . . . . . A 85 VAL HG12 . 34261 2 599 . 1 1 58 58 VAL HG13 H 1 0.692 0.020 . . . . . . A 85 VAL HG13 . 34261 2 600 . 1 1 58 58 VAL HG21 H 1 0.931 0.020 . . . . . . A 85 VAL HG21 . 34261 2 601 . 1 1 58 58 VAL HG22 H 1 0.931 0.020 . . . . . . A 85 VAL HG22 . 34261 2 602 . 1 1 58 58 VAL HG23 H 1 0.931 0.020 . . . . . . A 85 VAL HG23 . 34261 2 603 . 1 1 58 58 VAL C C 13 174.441 0.300 . . . . . . A 85 VAL C . 34261 2 604 . 1 1 58 58 VAL CA C 13 60.505 0.300 . . . . . . A 85 VAL CA . 34261 2 605 . 1 1 58 58 VAL CB C 13 35.080 0.300 . . . . . . A 85 VAL CB . 34261 2 606 . 1 1 58 58 VAL CG1 C 13 22.471 0.300 . . . . . . A 85 VAL CG1 . 34261 2 607 . 1 1 58 58 VAL CG2 C 13 20.865 0.300 . . . . . . A 85 VAL CG2 . 34261 2 608 . 1 1 58 58 VAL N N 15 119.306 0.300 . . . . . . A 85 VAL N . 34261 2 609 . 1 1 59 59 ILE H H 1 8.612 0.020 . . . . . . A 86 ILE H . 34261 2 610 . 1 1 59 59 ILE HA H 1 4.734 0.020 . . . . . . A 86 ILE HA . 34261 2 611 . 1 1 59 59 ILE HB H 1 1.890 0.020 . . . . . . A 86 ILE HB . 34261 2 612 . 1 1 59 59 ILE HG12 H 1 1.510 0.020 . . . . . . A 86 ILE HG12 . 34261 2 613 . 1 1 59 59 ILE HG13 H 1 0.965 0.020 . . . . . . A 86 ILE HG13 . 34261 2 614 . 1 1 59 59 ILE HG21 H 1 0.749 0.020 . . . . . . A 86 ILE HG21 . 34261 2 615 . 1 1 59 59 ILE HG22 H 1 0.749 0.020 . . . . . . A 86 ILE HG22 . 34261 2 616 . 1 1 59 59 ILE HG23 H 1 0.749 0.020 . . . . . . A 86 ILE HG23 . 34261 2 617 . 1 1 59 59 ILE HD11 H 1 0.747 0.020 . . . . . . A 86 ILE HD11 . 34261 2 618 . 1 1 59 59 ILE HD12 H 1 0.747 0.020 . . . . . . A 86 ILE HD12 . 34261 2 619 . 1 1 59 59 ILE HD13 H 1 0.747 0.020 . . . . . . A 86 ILE HD13 . 34261 2 620 . 1 1 59 59 ILE C C 13 174.032 0.300 . . . . . . A 86 ILE C . 34261 2 621 . 1 1 59 59 ILE CA C 13 60.525 0.300 . . . . . . A 86 ILE CA . 34261 2 622 . 1 1 59 59 ILE CB C 13 40.455 0.300 . . . . . . A 86 ILE CB . 34261 2 623 . 1 1 59 59 ILE CG1 C 13 28.045 0.300 . . . . . . A 86 ILE CG1 . 34261 2 624 . 1 1 59 59 ILE CG2 C 13 16.813 0.300 . . . . . . A 86 ILE CG2 . 34261 2 625 . 1 1 59 59 ILE CD1 C 13 13.758 0.300 . . . . . . A 86 ILE CD1 . 34261 2 626 . 1 1 59 59 ILE N N 15 125.057 0.300 . . . . . . A 86 ILE N . 34261 2 627 . 1 1 60 60 ASP H H 1 9.167 0.020 . . . . . . A 87 ASP H . 34261 2 628 . 1 1 60 60 ASP HA H 1 6.009 0.020 . . . . . . A 87 ASP HA . 34261 2 629 . 1 1 60 60 ASP HB2 H 1 2.651 0.020 . . . . . . A 87 ASP HB2 . 34261 2 630 . 1 1 60 60 ASP HB3 H 1 2.399 0.020 . . . . . . A 87 ASP HB3 . 34261 2 631 . 1 1 60 60 ASP C C 13 174.859 0.300 . . . . . . A 87 ASP C . 34261 2 632 . 1 1 60 60 ASP CA C 13 53.417 0.300 . . . . . . A 87 ASP CA . 34261 2 633 . 1 1 60 60 ASP CB C 13 45.160 0.300 . . . . . . A 87 ASP CB . 34261 2 634 . 1 1 60 60 ASP N N 15 127.488 0.300 . . . . . . A 87 ASP N . 34261 2 635 . 1 1 61 61 GLY H H 1 9.540 0.020 . . . . . . A 88 GLY H . 34261 2 636 . 1 1 61 61 GLY HA2 H 1 5.449 0.020 . . . . . . A 88 GLY HA2 . 34261 2 637 . 1 1 61 61 GLY HA3 H 1 2.940 0.020 . . . . . . A 88 GLY HA3 . 34261 2 638 . 1 1 61 61 GLY C C 13 170.780 0.300 . . . . . . A 88 GLY C . 34261 2 639 . 1 1 61 61 GLY CA C 13 44.052 0.300 . . . . . . A 88 GLY CA . 34261 2 640 . 1 1 61 61 GLY N N 15 107.966 0.300 . . . . . . A 88 GLY N . 34261 2 641 . 1 1 62 62 TYR H H 1 9.205 0.020 . . . . . . A 89 TYR H . 34261 2 642 . 1 1 62 62 TYR HA H 1 5.546 0.020 . . . . . . A 89 TYR HA . 34261 2 643 . 1 1 62 62 TYR HB2 H 1 3.335 0.020 . . . . . . A 89 TYR HB2 . 34261 2 644 . 1 1 62 62 TYR HB3 H 1 2.903 0.020 . . . . . . A 89 TYR HB3 . 34261 2 645 . 1 1 62 62 TYR HD1 H 1 7.121 0.020 . . . . . . A 89 TYR HD1 . 34261 2 646 . 1 1 62 62 TYR HD2 H 1 7.121 0.020 . . . . . . A 89 TYR HD2 . 34261 2 647 . 1 1 62 62 TYR C C 13 175.683 0.300 . . . . . . A 89 TYR C . 34261 2 648 . 1 1 62 62 TYR CA C 13 56.557 0.300 . . . . . . A 89 TYR CA . 34261 2 649 . 1 1 62 62 TYR CB C 13 41.534 0.300 . . . . . . A 89 TYR CB . 34261 2 650 . 1 1 62 62 TYR CD1 C 13 133.653 0.300 . . . . . . A 89 TYR CD1 . 34261 2 651 . 1 1 62 62 TYR N N 15 120.716 0.300 . . . . . . A 89 TYR N . 34261 2 652 . 1 1 63 63 GLY H H 1 8.790 0.020 . . . . . . A 90 GLY H . 34261 2 653 . 1 1 63 63 GLY HA2 H 1 4.540 0.020 . . . . . . A 90 GLY HA2 . 34261 2 654 . 1 1 63 63 GLY HA3 H 1 3.857 0.020 . . . . . . A 90 GLY HA3 . 34261 2 655 . 1 1 63 63 GLY C C 13 170.520 0.300 . . . . . . A 90 GLY C . 34261 2 656 . 1 1 63 63 GLY CA C 13 45.455 0.300 . . . . . . A 90 GLY CA . 34261 2 657 . 1 1 63 63 GLY N N 15 111.097 0.300 . . . . . . A 90 GLY N . 34261 2 658 . 1 1 64 64 LYS H H 1 8.693 0.020 . . . . . . A 91 LYS H . 34261 2 659 . 1 1 64 64 LYS HA H 1 4.933 0.020 . . . . . . A 91 LYS HA . 34261 2 660 . 1 1 64 64 LYS HB2 H 1 1.707 0.020 . . . . . . A 91 LYS HB2 . 34261 2 661 . 1 1 64 64 LYS HB3 H 1 1.707 0.020 . . . . . . A 91 LYS HB3 . 34261 2 662 . 1 1 64 64 LYS HG2 H 1 1.415 0.020 . . . . . . A 91 LYS HG2 . 34261 2 663 . 1 1 64 64 LYS HG3 H 1 1.415 0.020 . . . . . . A 91 LYS HG3 . 34261 2 664 . 1 1 64 64 LYS HD2 H 1 1.880 0.020 . . . . . . A 91 LYS HD2 . 34261 2 665 . 1 1 64 64 LYS HD3 H 1 1.880 0.020 . . . . . . A 91 LYS HD3 . 34261 2 666 . 1 1 64 64 LYS HE2 H 1 3.031 0.020 . . . . . . A 91 LYS HE2 . 34261 2 667 . 1 1 64 64 LYS HE3 H 1 3.031 0.020 . . . . . . A 91 LYS HE3 . 34261 2 668 . 1 1 64 64 LYS CA C 13 53.259 0.300 . . . . . . A 91 LYS CA . 34261 2 669 . 1 1 64 64 LYS CB C 13 32.968 0.300 . . . . . . A 91 LYS CB . 34261 2 670 . 1 1 64 64 LYS CG C 13 24.275 0.300 . . . . . . A 91 LYS CG . 34261 2 671 . 1 1 64 64 LYS CD C 13 29.480 0.300 . . . . . . A 91 LYS CD . 34261 2 672 . 1 1 64 64 LYS CE C 13 42.313 0.300 . . . . . . A 91 LYS CE . 34261 2 673 . 1 1 64 64 LYS N N 15 119.111 0.300 . . . . . . A 91 LYS N . 34261 2 674 . 1 1 65 65 PRO HA H 1 4.440 0.020 . . . . . . A 92 PRO HA . 34261 2 675 . 1 1 65 65 PRO HB2 H 1 2.101 0.020 . . . . . . A 92 PRO HB2 . 34261 2 676 . 1 1 65 65 PRO HB3 H 1 2.101 0.020 . . . . . . A 92 PRO HB3 . 34261 2 677 . 1 1 65 65 PRO HD2 H 1 3.765 0.020 . . . . . . A 92 PRO HD2 . 34261 2 678 . 1 1 65 65 PRO HD3 H 1 3.583 0.020 . . . . . . A 92 PRO HD3 . 34261 2 679 . 1 1 65 65 PRO C C 13 178.233 0.300 . . . . . . A 92 PRO C . 34261 2 680 . 1 1 65 65 PRO CA C 13 63.090 0.300 . . . . . . A 92 PRO CA . 34261 2 681 . 1 1 65 65 PRO CB C 13 32.083 0.300 . . . . . . A 92 PRO CB . 34261 2 682 . 1 1 65 65 PRO CG C 13 27.416 0.300 . . . . . . A 92 PRO CG . 34261 2 683 . 1 1 65 65 PRO CD C 13 50.504 0.300 . . . . . . A 92 PRO CD . 34261 2 684 . 1 1 66 66 ALA H H 1 8.478 0.020 . . . . . . A 93 ALA H . 34261 2 685 . 1 1 66 66 ALA HA H 1 4.861 0.020 . . . . . . A 93 ALA HA . 34261 2 686 . 1 1 66 66 ALA HB1 H 1 1.286 0.020 . . . . . . A 93 ALA HB1 . 34261 2 687 . 1 1 66 66 ALA HB2 H 1 1.286 0.020 . . . . . . A 93 ALA HB2 . 34261 2 688 . 1 1 66 66 ALA HB3 H 1 1.286 0.020 . . . . . . A 93 ALA HB3 . 34261 2 689 . 1 1 66 66 ALA C C 13 177.350 0.300 . . . . . . A 93 ALA C . 34261 2 690 . 1 1 66 66 ALA CA C 13 52.156 0.300 . . . . . . A 93 ALA CA . 34261 2 691 . 1 1 66 66 ALA CB C 13 18.741 0.300 . . . . . . A 93 ALA CB . 34261 2 692 . 1 1 66 66 ALA N N 15 120.058 0.300 . . . . . . A 93 ALA N . 34261 2 693 . 1 1 67 67 THR H H 1 8.891 0.020 . . . . . . A 94 THR H . 34261 2 694 . 1 1 67 67 THR HA H 1 5.324 0.020 . . . . . . A 94 THR HA . 34261 2 695 . 1 1 67 67 THR HB H 1 4.525 0.020 . . . . . . A 94 THR HB . 34261 2 696 . 1 1 67 67 THR HG21 H 1 1.136 0.020 . . . . . . A 94 THR HG21 . 34261 2 697 . 1 1 67 67 THR HG22 H 1 1.136 0.020 . . . . . . A 94 THR HG22 . 34261 2 698 . 1 1 67 67 THR HG23 H 1 1.136 0.020 . . . . . . A 94 THR HG23 . 34261 2 699 . 1 1 67 67 THR C C 13 172.454 0.300 . . . . . . A 94 THR C . 34261 2 700 . 1 1 67 67 THR CA C 13 60.600 0.300 . . . . . . A 94 THR CA . 34261 2 701 . 1 1 67 67 THR CB C 13 71.956 0.300 . . . . . . A 94 THR CB . 34261 2 702 . 1 1 67 67 THR CG2 C 13 21.304 0.300 . . . . . . A 94 THR CG2 . 34261 2 703 . 1 1 67 67 THR N N 15 108.912 0.300 . . . . . . A 94 THR N . 34261 2 704 . 1 1 68 68 PHE H H 1 8.755 0.020 . . . . . . A 95 PHE H . 34261 2 705 . 1 1 68 68 PHE HA H 1 5.096 0.020 . . . . . . A 95 PHE HA . 34261 2 706 . 1 1 68 68 PHE HB2 H 1 3.083 0.020 . . . . . . A 95 PHE HB2 . 34261 2 707 . 1 1 68 68 PHE HB3 H 1 2.208 0.020 . . . . . . A 95 PHE HB3 . 34261 2 708 . 1 1 68 68 PHE HD1 H 1 6.603 0.020 . . . . . . A 95 PHE HD1 . 34261 2 709 . 1 1 68 68 PHE HD2 H 1 6.603 0.020 . . . . . . A 95 PHE HD2 . 34261 2 710 . 1 1 68 68 PHE C C 13 172.417 0.300 . . . . . . A 95 PHE C . 34261 2 711 . 1 1 68 68 PHE CA C 13 56.820 0.300 . . . . . . A 95 PHE CA . 34261 2 712 . 1 1 68 68 PHE CB C 13 44.165 0.300 . . . . . . A 95 PHE CB . 34261 2 713 . 1 1 68 68 PHE CD1 C 13 130.065 0.300 . . . . . . A 95 PHE CD1 . 34261 2 714 . 1 1 68 68 PHE N N 15 121.216 0.300 . . . . . . A 95 PHE N . 34261 2 715 . 1 1 69 69 TYR H H 1 7.713 0.020 . . . . . . A 96 TYR H . 34261 2 716 . 1 1 69 69 TYR HA H 1 5.037 0.020 . . . . . . A 96 TYR HA . 34261 2 717 . 1 1 69 69 TYR HB2 H 1 2.940 0.020 . . . . . . A 96 TYR HB2 . 34261 2 718 . 1 1 69 69 TYR HB3 H 1 2.685 0.020 . . . . . . A 96 TYR HB3 . 34261 2 719 . 1 1 69 69 TYR HD1 H 1 7.077 0.020 . . . . . . A 96 TYR HD1 . 34261 2 720 . 1 1 69 69 TYR HD2 H 1 7.077 0.020 . . . . . . A 96 TYR HD2 . 34261 2 721 . 1 1 69 69 TYR HE1 H 1 6.591 0.020 . . . . . . A 96 TYR HE1 . 34261 2 722 . 1 1 69 69 TYR HE2 H 1 6.591 0.020 . . . . . . A 96 TYR HE2 . 34261 2 723 . 1 1 69 69 TYR C C 13 172.605 0.300 . . . . . . A 96 TYR C . 34261 2 724 . 1 1 69 69 TYR CA C 13 56.254 0.300 . . . . . . A 96 TYR CA . 34261 2 725 . 1 1 69 69 TYR CB C 13 43.296 0.300 . . . . . . A 96 TYR CB . 34261 2 726 . 1 1 69 69 TYR CD1 C 13 133.578 0.300 . . . . . . A 96 TYR CD1 . 34261 2 727 . 1 1 69 69 TYR CE1 C 13 117.603 0.300 . . . . . . A 96 TYR CE1 . 34261 2 728 . 1 1 69 69 TYR N N 15 131.466 0.300 . . . . . . A 96 TYR N . 34261 2 729 . 1 1 70 70 GLN H H 1 7.704 0.020 . . . . . . A 97 GLN H . 34261 2 730 . 1 1 70 70 GLN HA H 1 4.095 0.020 . . . . . . A 97 GLN HA . 34261 2 731 . 1 1 70 70 GLN HB2 H 1 1.631 0.020 . . . . . . A 97 GLN HB2 . 34261 2 732 . 1 1 70 70 GLN HB3 H 1 1.631 0.020 . . . . . . A 97 GLN HB3 . 34261 2 733 . 1 1 70 70 GLN C C 13 173.850 0.300 . . . . . . A 97 GLN C . 34261 2 734 . 1 1 70 70 GLN CA C 13 55.901 0.300 . . . . . . A 97 GLN CA . 34261 2 735 . 1 1 70 70 GLN CB C 13 31.180 0.300 . . . . . . A 97 GLN CB . 34261 2 736 . 1 1 70 70 GLN CG C 13 36.660 0.300 . . . . . . A 97 GLN CG . 34261 2 737 . 1 1 70 70 GLN N N 15 123.173 0.300 . . . . . . A 97 GLN N . 34261 2 738 . 1 1 71 71 MET H H 1 7.735 0.020 . . . . . . A 98 MET H . 34261 2 739 . 1 1 71 71 MET HA H 1 4.581 0.020 . . . . . . A 98 MET HA . 34261 2 740 . 1 1 71 71 MET HB2 H 1 2.278 0.020 . . . . . . A 98 MET HB2 . 34261 2 741 . 1 1 71 71 MET HB3 H 1 2.099 0.020 . . . . . . A 98 MET HB3 . 34261 2 742 . 1 1 71 71 MET C C 13 175.530 0.300 . . . . . . A 98 MET C . 34261 2 743 . 1 1 71 71 MET CA C 13 53.925 0.300 . . . . . . A 98 MET CA . 34261 2 744 . 1 1 71 71 MET CB C 13 31.376 0.300 . . . . . . A 98 MET CB . 34261 2 745 . 1 1 71 71 MET N N 15 124.352 0.300 . . . . . . A 98 MET N . 34261 2 746 . 1 1 72 72 GLN H H 1 7.833 0.020 . . . . . . A 99 GLN H . 34261 2 747 . 1 1 72 72 GLN HA H 1 4.547 0.020 . . . . . . A 99 GLN HA . 34261 2 748 . 1 1 72 72 GLN HB3 H 1 2.045 0.020 . . . . . . A 99 GLN HB3 . 34261 2 749 . 1 1 72 72 GLN CA C 13 55.506 0.300 . . . . . . A 99 GLN CA . 34261 2 750 . 1 1 72 72 GLN CB C 13 30.230 0.300 . . . . . . A 99 GLN CB . 34261 2 751 . 1 1 72 72 GLN CG C 13 36.570 0.300 . . . . . . A 99 GLN CG . 34261 2 752 . 1 1 72 72 GLN N N 15 124.954 0.300 . . . . . . A 99 GLN N . 34261 2 753 . 1 1 74 74 ASN HA H 1 4.488 0.020 . . . . . . A 101 ASN HA . 34261 2 754 . 1 1 74 74 ASN HB2 H 1 3.178 0.020 . . . . . . A 101 ASN HB2 . 34261 2 755 . 1 1 74 74 ASN HB3 H 1 2.802 0.020 . . . . . . A 101 ASN HB3 . 34261 2 756 . 1 1 74 74 ASN C C 13 176.417 0.300 . . . . . . A 101 ASN C . 34261 2 757 . 1 1 74 74 ASN CA C 13 52.823 0.300 . . . . . . A 101 ASN CA . 34261 2 758 . 1 1 74 74 ASN CB C 13 37.171 0.300 . . . . . . A 101 ASN CB . 34261 2 759 . 1 1 75 75 GLY H H 1 8.030 0.020 . . . . . . A 102 GLY H . 34261 2 760 . 1 1 75 75 GLY HA2 H 1 4.156 0.020 . . . . . . A 102 GLY HA2 . 34261 2 761 . 1 1 75 75 GLY HA3 H 1 3.836 0.020 . . . . . . A 102 GLY HA3 . 34261 2 762 . 1 1 75 75 GLY C C 13 173.821 0.300 . . . . . . A 102 GLY C . 34261 2 763 . 1 1 75 75 GLY CA C 13 45.967 0.300 . . . . . . A 102 GLY CA . 34261 2 764 . 1 1 75 75 GLY N N 15 106.933 0.300 . . . . . . A 102 GLY N . 34261 2 765 . 1 1 76 76 LYS H H 1 7.698 0.020 . . . . . . A 103 LYS H . 34261 2 766 . 1 1 76 76 LYS HA H 1 4.823 0.020 . . . . . . A 103 LYS HA . 34261 2 767 . 1 1 76 76 LYS HB2 H 1 1.776 0.020 . . . . . . A 103 LYS HB2 . 34261 2 768 . 1 1 76 76 LYS HB3 H 1 1.776 0.020 . . . . . . A 103 LYS HB3 . 34261 2 769 . 1 1 76 76 LYS HG2 H 1 1.552 0.020 . . . . . . A 103 LYS HG2 . 34261 2 770 . 1 1 76 76 LYS HG3 H 1 1.552 0.020 . . . . . . A 103 LYS HG3 . 34261 2 771 . 1 1 76 76 LYS HD2 H 1 1.634 0.020 . . . . . . A 103 LYS HD2 . 34261 2 772 . 1 1 76 76 LYS HD3 H 1 1.634 0.020 . . . . . . A 103 LYS HD3 . 34261 2 773 . 1 1 76 76 LYS HE2 H 1 2.930 0.020 . . . . . . A 103 LYS HE2 . 34261 2 774 . 1 1 76 76 LYS HE3 H 1 2.930 0.020 . . . . . . A 103 LYS HE3 . 34261 2 775 . 1 1 76 76 LYS CA C 13 52.189 0.300 . . . . . . A 103 LYS CA . 34261 2 776 . 1 1 76 76 LYS CB C 13 33.026 0.300 . . . . . . A 103 LYS CB . 34261 2 777 . 1 1 76 76 LYS CG C 13 24.865 0.300 . . . . . . A 103 LYS CG . 34261 2 778 . 1 1 76 76 LYS CD C 13 29.079 0.300 . . . . . . A 103 LYS CD . 34261 2 779 . 1 1 76 76 LYS CE C 13 42.626 0.300 . . . . . . A 103 LYS CE . 34261 2 780 . 1 1 76 76 LYS N N 15 120.809 0.300 . . . . . . A 103 LYS N . 34261 2 781 . 1 1 77 77 PRO HA H 1 4.870 0.020 . . . . . . A 104 PRO HA . 34261 2 782 . 1 1 77 77 PRO HB2 H 1 1.908 0.020 . . . . . . A 104 PRO HB2 . 34261 2 783 . 1 1 77 77 PRO HB3 H 1 1.486 0.020 . . . . . . A 104 PRO HB3 . 34261 2 784 . 1 1 77 77 PRO HG2 H 1 2.131 0.020 . . . . . . A 104 PRO HG2 . 34261 2 785 . 1 1 77 77 PRO HG3 H 1 2.045 0.020 . . . . . . A 104 PRO HG3 . 34261 2 786 . 1 1 77 77 PRO HD2 H 1 3.752 0.020 . . . . . . A 104 PRO HD2 . 34261 2 787 . 1 1 77 77 PRO HD3 H 1 3.752 0.020 . . . . . . A 104 PRO HD3 . 34261 2 788 . 1 1 77 77 PRO C C 13 176.821 0.300 . . . . . . A 104 PRO C . 34261 2 789 . 1 1 77 77 PRO CA C 13 62.480 0.300 . . . . . . A 104 PRO CA . 34261 2 790 . 1 1 77 77 PRO CB C 13 32.955 0.300 . . . . . . A 104 PRO CB . 34261 2 791 . 1 1 77 77 PRO CG C 13 26.609 0.300 . . . . . . A 104 PRO CG . 34261 2 792 . 1 1 77 77 PRO CD C 13 50.390 0.300 . . . . . . A 104 PRO CD . 34261 2 793 . 1 1 78 78 VAL H H 1 8.585 0.020 . . . . . . A 105 VAL H . 34261 2 794 . 1 1 78 78 VAL HA H 1 4.626 0.020 . . . . . . A 105 VAL HA . 34261 2 795 . 1 1 78 78 VAL HB H 1 1.626 0.020 . . . . . . A 105 VAL HB . 34261 2 796 . 1 1 78 78 VAL HG11 H 1 0.517 0.020 . . . . . . A 105 VAL HG11 . 34261 2 797 . 1 1 78 78 VAL HG12 H 1 0.517 0.020 . . . . . . A 105 VAL HG12 . 34261 2 798 . 1 1 78 78 VAL HG13 H 1 0.517 0.020 . . . . . . A 105 VAL HG13 . 34261 2 799 . 1 1 78 78 VAL HG21 H 1 0.690 0.020 . . . . . . A 105 VAL HG21 . 34261 2 800 . 1 1 78 78 VAL HG22 H 1 0.690 0.020 . . . . . . A 105 VAL HG22 . 34261 2 801 . 1 1 78 78 VAL HG23 H 1 0.690 0.020 . . . . . . A 105 VAL HG23 . 34261 2 802 . 1 1 78 78 VAL C C 13 173.546 0.300 . . . . . . A 105 VAL C . 34261 2 803 . 1 1 78 78 VAL CA C 13 60.685 0.300 . . . . . . A 105 VAL CA . 34261 2 804 . 1 1 78 78 VAL CB C 13 33.791 0.300 . . . . . . A 105 VAL CB . 34261 2 805 . 1 1 78 78 VAL CG1 C 13 20.715 0.300 . . . . . . A 105 VAL CG1 . 34261 2 806 . 1 1 78 78 VAL CG2 C 13 21.378 0.300 . . . . . . A 105 VAL CG2 . 34261 2 807 . 1 1 78 78 VAL N N 15 120.977 0.300 . . . . . . A 105 VAL N . 34261 2 808 . 1 1 79 79 GLU H H 1 8.157 0.020 . . . . . . A 106 GLU H . 34261 2 809 . 1 1 79 79 GLU HA H 1 5.369 0.020 . . . . . . A 106 GLU HA . 34261 2 810 . 1 1 79 79 GLU HB2 H 1 2.164 0.020 . . . . . . A 106 GLU HB2 . 34261 2 811 . 1 1 79 79 GLU HB3 H 1 2.002 0.020 . . . . . . A 106 GLU HB3 . 34261 2 812 . 1 1 79 79 GLU C C 13 175.374 0.300 . . . . . . A 106 GLU C . 34261 2 813 . 1 1 79 79 GLU CA C 13 54.084 0.300 . . . . . . A 106 GLU CA . 34261 2 814 . 1 1 79 79 GLU CB C 13 34.614 0.300 . . . . . . A 106 GLU CB . 34261 2 815 . 1 1 79 79 GLU CG C 13 37.378 0.300 . . . . . . A 106 GLU CG . 34261 2 816 . 1 1 79 79 GLU N N 15 121.836 0.300 . . . . . . A 106 GLU N . 34261 2 817 . 1 1 80 80 GLY H H 1 9.275 0.020 . . . . . . A 107 GLY H . 34261 2 818 . 1 1 80 80 GLY HA2 H 1 4.854 0.020 . . . . . . A 107 GLY HA2 . 34261 2 819 . 1 1 80 80 GLY HA3 H 1 4.159 0.020 . . . . . . A 107 GLY HA3 . 34261 2 820 . 1 1 80 80 GLY C C 13 172.157 0.300 . . . . . . A 107 GLY C . 34261 2 821 . 1 1 80 80 GLY CA C 13 45.971 0.300 . . . . . . A 107 GLY CA . 34261 2 822 . 1 1 80 80 GLY N N 15 109.160 0.300 . . . . . . A 107 GLY N . 34261 2 823 . 1 1 81 81 HIS H H 1 9.020 0.020 . . . . . . A 108 HIS H . 34261 2 824 . 1 1 81 81 HIS HA H 1 5.466 0.020 . . . . . . A 108 HIS HA . 34261 2 825 . 1 1 81 81 HIS HB2 H 1 3.298 0.020 . . . . . . A 108 HIS HB2 . 34261 2 826 . 1 1 81 81 HIS HB3 H 1 3.138 0.020 . . . . . . A 108 HIS HB3 . 34261 2 827 . 1 1 81 81 HIS HE1 H 1 7.448 0.020 . . . . . . A 108 HIS HE1 . 34261 2 828 . 1 1 81 81 HIS C C 13 172.200 0.300 . . . . . . A 108 HIS C . 34261 2 829 . 1 1 81 81 HIS CA C 13 55.166 0.300 . . . . . . A 108 HIS CA . 34261 2 830 . 1 1 81 81 HIS CB C 13 32.775 0.300 . . . . . . A 108 HIS CB . 34261 2 831 . 1 1 81 81 HIS CE1 C 13 138.075 0.300 . . . . . . A 108 HIS CE1 . 34261 2 832 . 1 1 81 81 HIS N N 15 116.868 0.300 . . . . . . A 108 HIS N . 34261 2 833 . 1 1 82 82 ALA H H 1 8.686 0.020 . . . . . . A 109 ALA H . 34261 2 834 . 1 1 82 82 ALA HA H 1 4.687 0.020 . . . . . . A 109 ALA HA . 34261 2 835 . 1 1 82 82 ALA HB1 H 1 1.480 0.020 . . . . . . A 109 ALA HB1 . 34261 2 836 . 1 1 82 82 ALA HB2 H 1 1.480 0.020 . . . . . . A 109 ALA HB2 . 34261 2 837 . 1 1 82 82 ALA HB3 H 1 1.480 0.020 . . . . . . A 109 ALA HB3 . 34261 2 838 . 1 1 82 82 ALA C C 13 175.899 0.300 . . . . . . A 109 ALA C . 34261 2 839 . 1 1 82 82 ALA CA C 13 52.297 0.300 . . . . . . A 109 ALA CA . 34261 2 840 . 1 1 82 82 ALA CB C 13 23.034 0.300 . . . . . . A 109 ALA CB . 34261 2 841 . 1 1 82 82 ALA N N 15 118.227 0.300 . . . . . . A 109 ALA N . 34261 2 842 . 1 1 83 83 SER H H 1 9.159 0.020 . . . . . . A 110 SER H . 34261 2 843 . 1 1 83 83 SER HA H 1 4.919 0.020 . . . . . . A 110 SER HA . 34261 2 844 . 1 1 83 83 SER HB2 H 1 4.342 0.020 . . . . . . A 110 SER HB2 . 34261 2 845 . 1 1 83 83 SER HB3 H 1 4.293 0.020 . . . . . . A 110 SER HB3 . 34261 2 846 . 1 1 83 83 SER C C 13 174.133 0.300 . . . . . . A 110 SER C . 34261 2 847 . 1 1 83 83 SER CA C 13 61.927 0.300 . . . . . . A 110 SER CA . 34261 2 848 . 1 1 83 83 SER CB C 13 63.621 0.300 . . . . . . A 110 SER CB . 34261 2 849 . 1 1 83 83 SER N N 15 117.172 0.300 . . . . . . A 110 SER N . 34261 2 850 . 1 1 84 84 GLN H H 1 8.620 0.020 . . . . . . A 111 GLN H . 34261 2 851 . 1 1 84 84 GLN HA H 1 5.372 0.020 . . . . . . A 111 GLN HA . 34261 2 852 . 1 1 84 84 GLN HB2 H 1 1.991 0.020 . . . . . . A 111 GLN HB2 . 34261 2 853 . 1 1 84 84 GLN HB3 H 1 1.848 0.020 . . . . . . A 111 GLN HB3 . 34261 2 854 . 1 1 84 84 GLN C C 13 174.267 0.300 . . . . . . A 111 GLN C . 34261 2 855 . 1 1 84 84 GLN CA C 13 53.989 0.300 . . . . . . A 111 GLN CA . 34261 2 856 . 1 1 84 84 GLN CB C 13 31.705 0.300 . . . . . . A 111 GLN CB . 34261 2 857 . 1 1 84 84 GLN N N 15 118.473 0.300 . . . . . . A 111 GLN N . 34261 2 858 . 1 1 85 85 MET H H 1 8.960 0.020 . . . . . . A 112 MET H . 34261 2 859 . 1 1 85 85 MET HA H 1 5.246 0.020 . . . . . . A 112 MET HA . 34261 2 860 . 1 1 85 85 MET HB2 H 1 1.606 0.020 . . . . . . A 112 MET HB2 . 34261 2 861 . 1 1 85 85 MET HB3 H 1 1.606 0.020 . . . . . . A 112 MET HB3 . 34261 2 862 . 1 1 85 85 MET C C 13 174.537 0.300 . . . . . . A 112 MET C . 34261 2 863 . 1 1 85 85 MET CA C 13 53.084 0.300 . . . . . . A 112 MET CA . 34261 2 864 . 1 1 85 85 MET CB C 13 35.779 0.300 . . . . . . A 112 MET CB . 34261 2 865 . 1 1 85 85 MET CG C 13 32.735 0.300 . . . . . . A 112 MET CG . 34261 2 866 . 1 1 85 85 MET N N 15 120.879 0.300 . . . . . . A 112 MET N . 34261 2 867 . 1 1 86 86 HIS H H 1 8.883 0.020 . . . . . . A 113 HIS H . 34261 2 868 . 1 1 86 86 HIS HA H 1 5.655 0.020 . . . . . . A 113 HIS HA . 34261 2 869 . 1 1 86 86 HIS HB2 H 1 3.267 0.020 . . . . . . A 113 HIS HB2 . 34261 2 870 . 1 1 86 86 HIS HB3 H 1 3.076 0.020 . . . . . . A 113 HIS HB3 . 34261 2 871 . 1 1 86 86 HIS C C 13 172.464 0.300 . . . . . . A 113 HIS C . 34261 2 872 . 1 1 86 86 HIS CA C 13 54.780 0.300 . . . . . . A 113 HIS CA . 34261 2 873 . 1 1 86 86 HIS CB C 13 31.166 0.300 . . . . . . A 113 HIS CB . 34261 2 874 . 1 1 86 86 HIS N N 15 123.772 0.300 . . . . . . A 113 HIS N . 34261 2 875 . 1 1 87 87 TYR H H 1 9.711 0.020 . . . . . . A 114 TYR H . 34261 2 876 . 1 1 87 87 TYR HA H 1 5.590 0.020 . . . . . . A 114 TYR HA . 34261 2 877 . 1 1 87 87 TYR HB2 H 1 3.221 0.020 . . . . . . A 114 TYR HB2 . 34261 2 878 . 1 1 87 87 TYR HB3 H 1 2.611 0.020 . . . . . . A 114 TYR HB3 . 34261 2 879 . 1 1 87 87 TYR HD1 H 1 6.760 0.020 . . . . . . A 114 TYR HD1 . 34261 2 880 . 1 1 87 87 TYR HD2 H 1 6.760 0.020 . . . . . . A 114 TYR HD2 . 34261 2 881 . 1 1 87 87 TYR HE1 H 1 6.449 0.020 . . . . . . A 114 TYR HE1 . 34261 2 882 . 1 1 87 87 TYR HE2 H 1 6.449 0.020 . . . . . . A 114 TYR HE2 . 34261 2 883 . 1 1 87 87 TYR C C 13 173.684 0.300 . . . . . . A 114 TYR C . 34261 2 884 . 1 1 87 87 TYR CA C 13 52.934 0.300 . . . . . . A 114 TYR CA . 34261 2 885 . 1 1 87 87 TYR CB C 13 39.327 0.300 . . . . . . A 114 TYR CB . 34261 2 886 . 1 1 87 87 TYR CD1 C 13 130.369 0.300 . . . . . . A 114 TYR CD1 . 34261 2 887 . 1 1 87 87 TYR CE1 C 13 117.173 0.300 . . . . . . A 114 TYR CE1 . 34261 2 888 . 1 1 87 87 TYR N N 15 130.469 0.300 . . . . . . A 114 TYR N . 34261 2 889 . 1 1 88 88 GLU H H 1 8.414 0.020 . . . . . . A 115 GLU H . 34261 2 890 . 1 1 88 88 GLU HA H 1 4.320 0.020 . . . . . . A 115 GLU HA . 34261 2 891 . 1 1 88 88 GLU HB2 H 1 1.937 0.020 . . . . . . A 115 GLU HB2 . 34261 2 892 . 1 1 88 88 GLU HB3 H 1 1.937 0.020 . . . . . . A 115 GLU HB3 . 34261 2 893 . 1 1 88 88 GLU C C 13 175.465 0.300 . . . . . . A 115 GLU C . 34261 2 894 . 1 1 88 88 GLU CA C 13 55.300 0.300 . . . . . . A 115 GLU CA . 34261 2 895 . 1 1 88 88 GLU CB C 13 28.468 0.300 . . . . . . A 115 GLU CB . 34261 2 896 . 1 1 88 88 GLU N N 15 127.697 0.300 . . . . . . A 115 GLU N . 34261 2 897 . 1 1 89 89 LEU H H 1 7.210 0.020 . . . . . . A 116 LEU H . 34261 2 898 . 1 1 89 89 LEU HA H 1 3.751 0.020 . . . . . . A 116 LEU HA . 34261 2 899 . 1 1 89 89 LEU HB2 H 1 1.561 0.020 . . . . . . A 116 LEU HB2 . 34261 2 900 . 1 1 89 89 LEU HB3 H 1 1.221 0.020 . . . . . . A 116 LEU HB3 . 34261 2 901 . 1 1 89 89 LEU HG H 1 1.369 0.020 . . . . . . A 116 LEU HG . 34261 2 902 . 1 1 89 89 LEU HD11 H 1 0.068 0.020 . . . . . . A 116 LEU HD11 . 34261 2 903 . 1 1 89 89 LEU HD12 H 1 0.068 0.020 . . . . . . A 116 LEU HD12 . 34261 2 904 . 1 1 89 89 LEU HD13 H 1 0.068 0.020 . . . . . . A 116 LEU HD13 . 34261 2 905 . 1 1 89 89 LEU HD21 H 1 0.513 0.020 . . . . . . A 116 LEU HD21 . 34261 2 906 . 1 1 89 89 LEU HD22 H 1 0.513 0.020 . . . . . . A 116 LEU HD22 . 34261 2 907 . 1 1 89 89 LEU HD23 H 1 0.513 0.020 . . . . . . A 116 LEU HD23 . 34261 2 908 . 1 1 89 89 LEU C C 13 179.428 0.300 . . . . . . A 116 LEU C . 34261 2 909 . 1 1 89 89 LEU CA C 13 58.033 0.300 . . . . . . A 116 LEU CA . 34261 2 910 . 1 1 89 89 LEU CB C 13 40.540 0.300 . . . . . . A 116 LEU CB . 34261 2 911 . 1 1 89 89 LEU CG C 13 27.565 0.300 . . . . . . A 116 LEU CG . 34261 2 912 . 1 1 89 89 LEU CD1 C 13 22.441 0.300 . . . . . . A 116 LEU CD1 . 34261 2 913 . 1 1 89 89 LEU CD2 C 13 25.321 0.300 . . . . . . A 116 LEU CD2 . 34261 2 914 . 1 1 89 89 LEU N N 15 126.050 0.300 . . . . . . A 116 LEU N . 34261 2 915 . 1 1 90 90 ALA H H 1 9.497 0.020 . . . . . . A 117 ALA H . 34261 2 916 . 1 1 90 90 ALA HA H 1 4.087 0.020 . . . . . . A 117 ALA HA . 34261 2 917 . 1 1 90 90 ALA HB1 H 1 1.418 0.020 . . . . . . A 117 ALA HB1 . 34261 2 918 . 1 1 90 90 ALA HB2 H 1 1.418 0.020 . . . . . . A 117 ALA HB2 . 34261 2 919 . 1 1 90 90 ALA HB3 H 1 1.418 0.020 . . . . . . A 117 ALA HB3 . 34261 2 920 . 1 1 90 90 ALA CA C 13 54.224 0.300 . . . . . . A 117 ALA CA . 34261 2 921 . 1 1 90 90 ALA CB C 13 18.706 0.300 . . . . . . A 117 ALA CB . 34261 2 922 . 1 1 90 90 ALA N N 15 117.997 0.300 . . . . . . A 117 ALA N . 34261 2 923 . 1 1 91 91 LYS HA H 1 4.426 0.020 . . . . . . A 118 LYS HA . 34261 2 924 . 1 1 91 91 LYS HB2 H 1 1.213 0.020 . . . . . . A 118 LYS HB2 . 34261 2 925 . 1 1 91 91 LYS HB3 H 1 1.213 0.020 . . . . . . A 118 LYS HB3 . 34261 2 926 . 1 1 91 91 LYS C C 13 174.882 0.300 . . . . . . A 118 LYS C . 34261 2 927 . 1 1 91 91 LYS CA C 13 54.313 0.300 . . . . . . A 118 LYS CA . 34261 2 928 . 1 1 91 91 LYS CB C 13 34.575 0.300 . . . . . . A 118 LYS CB . 34261 2 929 . 1 1 92 92 ASP H H 1 7.741 0.020 . . . . . . A 119 ASP H . 34261 2 930 . 1 1 92 92 ASP HA H 1 4.331 0.020 . . . . . . A 119 ASP HA . 34261 2 931 . 1 1 92 92 ASP HB2 H 1 2.941 0.020 . . . . . . A 119 ASP HB2 . 34261 2 932 . 1 1 92 92 ASP HB3 H 1 2.804 0.020 . . . . . . A 119 ASP HB3 . 34261 2 933 . 1 1 92 92 ASP C C 13 174.850 0.300 . . . . . . A 119 ASP C . 34261 2 934 . 1 1 92 92 ASP CA C 13 56.049 0.300 . . . . . . A 119 ASP CA . 34261 2 935 . 1 1 92 92 ASP CB C 13 40.721 0.300 . . . . . . A 119 ASP CB . 34261 2 936 . 1 1 92 92 ASP N N 15 114.646 0.300 . . . . . . A 119 ASP N . 34261 2 937 . 1 1 93 93 PHE H H 1 7.375 0.020 . . . . . . A 120 PHE H . 34261 2 938 . 1 1 93 93 PHE HA H 1 5.542 0.020 . . . . . . A 120 PHE HA . 34261 2 939 . 1 1 93 93 PHE HB2 H 1 2.953 0.020 . . . . . . A 120 PHE HB2 . 34261 2 940 . 1 1 93 93 PHE HB3 H 1 2.953 0.020 . . . . . . A 120 PHE HB3 . 34261 2 941 . 1 1 93 93 PHE HD1 H 1 6.878 0.020 . . . . . . A 120 PHE HD1 . 34261 2 942 . 1 1 93 93 PHE HD2 H 1 6.878 0.020 . . . . . . A 120 PHE HD2 . 34261 2 943 . 1 1 93 93 PHE C C 13 172.390 0.300 . . . . . . A 120 PHE C . 34261 2 944 . 1 1 93 93 PHE CA C 13 55.931 0.300 . . . . . . A 120 PHE CA . 34261 2 945 . 1 1 93 93 PHE CB C 13 43.041 0.300 . . . . . . A 120 PHE CB . 34261 2 946 . 1 1 93 93 PHE N N 15 112.848 0.300 . . . . . . A 120 PHE N . 34261 2 947 . 1 1 94 94 VAL H H 1 9.139 0.020 . . . . . . A 121 VAL H . 34261 2 948 . 1 1 94 94 VAL HA H 1 5.110 0.020 . . . . . . A 121 VAL HA . 34261 2 949 . 1 1 94 94 VAL HB H 1 1.466 0.020 . . . . . . A 121 VAL HB . 34261 2 950 . 1 1 94 94 VAL HG11 H 1 0.325 0.020 . . . . . . A 121 VAL HG11 . 34261 2 951 . 1 1 94 94 VAL HG12 H 1 0.325 0.020 . . . . . . A 121 VAL HG12 . 34261 2 952 . 1 1 94 94 VAL HG13 H 1 0.325 0.020 . . . . . . A 121 VAL HG13 . 34261 2 953 . 1 1 94 94 VAL HG21 H 1 0.359 0.020 . . . . . . A 121 VAL HG21 . 34261 2 954 . 1 1 94 94 VAL HG22 H 1 0.359 0.020 . . . . . . A 121 VAL HG22 . 34261 2 955 . 1 1 94 94 VAL HG23 H 1 0.359 0.020 . . . . . . A 121 VAL HG23 . 34261 2 956 . 1 1 94 94 VAL C C 13 173.547 0.300 . . . . . . A 121 VAL C . 34261 2 957 . 1 1 94 94 VAL CA C 13 59.562 0.300 . . . . . . A 121 VAL CA . 34261 2 958 . 1 1 94 94 VAL CB C 13 34.856 0.300 . . . . . . A 121 VAL CB . 34261 2 959 . 1 1 94 94 VAL CG1 C 13 20.449 0.300 . . . . . . A 121 VAL CG1 . 34261 2 960 . 1 1 94 94 VAL CG2 C 13 21.363 0.300 . . . . . . A 121 VAL CG2 . 34261 2 961 . 1 1 94 94 VAL N N 15 122.786 0.300 . . . . . . A 121 VAL N . 34261 2 962 . 1 1 95 95 VAL H H 1 9.320 0.020 . . . . . . A 122 VAL H . 34261 2 963 . 1 1 95 95 VAL HA H 1 4.722 0.020 . . . . . . A 122 VAL HA . 34261 2 964 . 1 1 95 95 VAL HB H 1 2.009 0.020 . . . . . . A 122 VAL HB . 34261 2 965 . 1 1 95 95 VAL HG11 H 1 0.774 0.020 . . . . . . A 122 VAL HG11 . 34261 2 966 . 1 1 95 95 VAL HG12 H 1 0.774 0.020 . . . . . . A 122 VAL HG12 . 34261 2 967 . 1 1 95 95 VAL HG13 H 1 0.774 0.020 . . . . . . A 122 VAL HG13 . 34261 2 968 . 1 1 95 95 VAL HG21 H 1 1.017 0.020 . . . . . . A 122 VAL HG21 . 34261 2 969 . 1 1 95 95 VAL HG22 H 1 1.017 0.020 . . . . . . A 122 VAL HG22 . 34261 2 970 . 1 1 95 95 VAL HG23 H 1 1.017 0.020 . . . . . . A 122 VAL HG23 . 34261 2 971 . 1 1 95 95 VAL C C 13 175.955 0.300 . . . . . . A 122 VAL C . 34261 2 972 . 1 1 95 95 VAL CA C 13 60.863 0.300 . . . . . . A 122 VAL CA . 34261 2 973 . 1 1 95 95 VAL CB C 13 33.816 0.300 . . . . . . A 122 VAL CB . 34261 2 974 . 1 1 95 95 VAL CG1 C 13 21.525 0.300 . . . . . . A 122 VAL CG1 . 34261 2 975 . 1 1 95 95 VAL CG2 C 13 21.419 0.300 . . . . . . A 122 VAL CG2 . 34261 2 976 . 1 1 95 95 VAL N N 15 125.811 0.300 . . . . . . A 122 VAL N . 34261 2 977 . 1 1 96 96 LEU H H 1 9.642 0.020 . . . . . . A 123 LEU H . 34261 2 978 . 1 1 96 96 LEU HA H 1 4.912 0.020 . . . . . . A 123 LEU HA . 34261 2 979 . 1 1 96 96 LEU HB2 H 1 1.520 0.020 . . . . . . A 123 LEU HB2 . 34261 2 980 . 1 1 96 96 LEU HB3 H 1 1.520 0.020 . . . . . . A 123 LEU HB3 . 34261 2 981 . 1 1 96 96 LEU HG H 1 1.462 0.020 . . . . . . A 123 LEU HG . 34261 2 982 . 1 1 96 96 LEU HD11 H 1 0.449 0.020 . . . . . . A 123 LEU HD11 . 34261 2 983 . 1 1 96 96 LEU HD12 H 1 0.449 0.020 . . . . . . A 123 LEU HD12 . 34261 2 984 . 1 1 96 96 LEU HD13 H 1 0.449 0.020 . . . . . . A 123 LEU HD13 . 34261 2 985 . 1 1 96 96 LEU HD21 H 1 0.528 0.020 . . . . . . A 123 LEU HD21 . 34261 2 986 . 1 1 96 96 LEU HD22 H 1 0.528 0.020 . . . . . . A 123 LEU HD22 . 34261 2 987 . 1 1 96 96 LEU HD23 H 1 0.528 0.020 . . . . . . A 123 LEU HD23 . 34261 2 988 . 1 1 96 96 LEU C C 13 175.265 0.300 . . . . . . A 123 LEU C . 34261 2 989 . 1 1 96 96 LEU CA C 13 55.327 0.300 . . . . . . A 123 LEU CA . 34261 2 990 . 1 1 96 96 LEU CB C 13 42.916 0.300 . . . . . . A 123 LEU CB . 34261 2 991 . 1 1 96 96 LEU CG C 13 29.437 0.300 . . . . . . A 123 LEU CG . 34261 2 992 . 1 1 96 96 LEU CD1 C 13 25.093 0.300 . . . . . . A 123 LEU CD1 . 34261 2 993 . 1 1 96 96 LEU CD2 C 13 27.221 0.300 . . . . . . A 123 LEU CD2 . 34261 2 994 . 1 1 96 96 LEU N N 15 133.600 0.300 . . . . . . A 123 LEU N . 34261 2 995 . 1 1 97 97 THR H H 1 8.929 0.020 . . . . . . A 124 THR H . 34261 2 996 . 1 1 97 97 THR HA H 1 5.151 0.020 . . . . . . A 124 THR HA . 34261 2 997 . 1 1 97 97 THR HB H 1 3.972 0.020 . . . . . . A 124 THR HB . 34261 2 998 . 1 1 97 97 THR HG21 H 1 1.142 0.020 . . . . . . A 124 THR HG21 . 34261 2 999 . 1 1 97 97 THR HG22 H 1 1.142 0.020 . . . . . . A 124 THR HG22 . 34261 2 1000 . 1 1 97 97 THR HG23 H 1 1.142 0.020 . . . . . . A 124 THR HG23 . 34261 2 1001 . 1 1 97 97 THR C C 13 173.788 0.300 . . . . . . A 124 THR C . 34261 2 1002 . 1 1 97 97 THR CA C 13 60.650 0.300 . . . . . . A 124 THR CA . 34261 2 1003 . 1 1 97 97 THR CB C 13 71.602 0.300 . . . . . . A 124 THR CB . 34261 2 1004 . 1 1 97 97 THR CG2 C 13 21.914 0.300 . . . . . . A 124 THR CG2 . 34261 2 1005 . 1 1 97 97 THR N N 15 115.753 0.300 . . . . . . A 124 THR N . 34261 2 1006 . 1 1 98 98 GLY H H 1 8.738 0.020 . . . . . . A 125 GLY H . 34261 2 1007 . 1 1 98 98 GLY HA2 H 1 4.356 0.020 . . . . . . A 125 GLY HA2 . 34261 2 1008 . 1 1 98 98 GLY HA3 H 1 3.680 0.020 . . . . . . A 125 GLY HA3 . 34261 2 1009 . 1 1 98 98 GLY C C 13 172.944 0.300 . . . . . . A 125 GLY C . 34261 2 1010 . 1 1 98 98 GLY CA C 13 46.020 0.300 . . . . . . A 125 GLY CA . 34261 2 1011 . 1 1 98 98 GLY N N 15 113.529 0.300 . . . . . . A 125 GLY N . 34261 2 1012 . 1 1 99 99 ASN H H 1 9.455 0.020 . . . . . . A 126 ASN H . 34261 2 1013 . 1 1 99 99 ASN HA H 1 4.239 0.020 . . . . . . A 126 ASN HA . 34261 2 1014 . 1 1 99 99 ASN HB2 H 1 3.012 0.020 . . . . . . A 126 ASN HB2 . 34261 2 1015 . 1 1 99 99 ASN HB3 H 1 2.761 0.020 . . . . . . A 126 ASN HB3 . 34261 2 1016 . 1 1 99 99 ASN C C 13 174.374 0.300 . . . . . . A 126 ASN C . 34261 2 1017 . 1 1 99 99 ASN CA C 13 54.031 0.300 . . . . . . A 126 ASN CA . 34261 2 1018 . 1 1 99 99 ASN CB C 13 37.442 0.300 . . . . . . A 126 ASN CB . 34261 2 1019 . 1 1 99 99 ASN N N 15 123.922 0.300 . . . . . . A 126 ASN N . 34261 2 1020 . 1 1 100 100 ALA H H 1 7.507 0.020 . . . . . . A 127 ALA H . 34261 2 1021 . 1 1 100 100 ALA HA H 1 4.856 0.020 . . . . . . A 127 ALA HA . 34261 2 1022 . 1 1 100 100 ALA HB1 H 1 1.092 0.020 . . . . . . A 127 ALA HB1 . 34261 2 1023 . 1 1 100 100 ALA HB2 H 1 1.092 0.020 . . . . . . A 127 ALA HB2 . 34261 2 1024 . 1 1 100 100 ALA HB3 H 1 1.092 0.020 . . . . . . A 127 ALA HB3 . 34261 2 1025 . 1 1 100 100 ALA C C 13 177.179 0.300 . . . . . . A 127 ALA C . 34261 2 1026 . 1 1 100 100 ALA CA C 13 52.224 0.300 . . . . . . A 127 ALA CA . 34261 2 1027 . 1 1 100 100 ALA CB C 13 21.406 0.300 . . . . . . A 127 ALA CB . 34261 2 1028 . 1 1 100 100 ALA N N 15 119.565 0.300 . . . . . . A 127 ALA N . 34261 2 1029 . 1 1 101 101 TYR H H 1 8.566 0.020 . . . . . . A 128 TYR H . 34261 2 1030 . 1 1 101 101 TYR HA H 1 5.018 0.020 . . . . . . A 128 TYR HA . 34261 2 1031 . 1 1 101 101 TYR HB2 H 1 2.614 0.020 . . . . . . A 128 TYR HB2 . 34261 2 1032 . 1 1 101 101 TYR HB3 H 1 1.700 0.020 . . . . . . A 128 TYR HB3 . 34261 2 1033 . 1 1 101 101 TYR HD1 H 1 6.844 0.020 . . . . . . A 128 TYR HD1 . 34261 2 1034 . 1 1 101 101 TYR HD2 H 1 6.844 0.020 . . . . . . A 128 TYR HD2 . 34261 2 1035 . 1 1 101 101 TYR HE1 H 1 6.650 0.020 . . . . . . A 128 TYR HE1 . 34261 2 1036 . 1 1 101 101 TYR HE2 H 1 6.650 0.020 . . . . . . A 128 TYR HE2 . 34261 2 1037 . 1 1 101 101 TYR C C 13 172.959 0.300 . . . . . . A 128 TYR C . 34261 2 1038 . 1 1 101 101 TYR CA C 13 56.560 0.300 . . . . . . A 128 TYR CA . 34261 2 1039 . 1 1 101 101 TYR CB C 13 42.332 0.300 . . . . . . A 128 TYR CB . 34261 2 1040 . 1 1 101 101 TYR CD1 C 13 133.211 0.300 . . . . . . A 128 TYR CD1 . 34261 2 1041 . 1 1 101 101 TYR CE1 C 13 117.603 0.300 . . . . . . A 128 TYR CE1 . 34261 2 1042 . 1 1 101 101 TYR N N 15 122.783 0.300 . . . . . . A 128 TYR N . 34261 2 1043 . 1 1 102 102 LEU H H 1 8.238 0.020 . . . . . . A 129 LEU H . 34261 2 1044 . 1 1 102 102 LEU HA H 1 4.611 0.020 . . . . . . A 129 LEU HA . 34261 2 1045 . 1 1 102 102 LEU HB2 H 1 1.443 0.020 . . . . . . A 129 LEU HB2 . 34261 2 1046 . 1 1 102 102 LEU HB3 H 1 0.973 0.020 . . . . . . A 129 LEU HB3 . 34261 2 1047 . 1 1 102 102 LEU HG H 1 1.110 0.020 . . . . . . A 129 LEU HG . 34261 2 1048 . 1 1 102 102 LEU HD11 H 1 0.355 0.020 . . . . . . A 129 LEU HD11 . 34261 2 1049 . 1 1 102 102 LEU HD12 H 1 0.355 0.020 . . . . . . A 129 LEU HD12 . 34261 2 1050 . 1 1 102 102 LEU HD13 H 1 0.355 0.020 . . . . . . A 129 LEU HD13 . 34261 2 1051 . 1 1 102 102 LEU HD21 H 1 0.450 0.020 . . . . . . A 129 LEU HD21 . 34261 2 1052 . 1 1 102 102 LEU HD22 H 1 0.450 0.020 . . . . . . A 129 LEU HD22 . 34261 2 1053 . 1 1 102 102 LEU HD23 H 1 0.450 0.020 . . . . . . A 129 LEU HD23 . 34261 2 1054 . 1 1 102 102 LEU C C 13 173.474 0.300 . . . . . . A 129 LEU C . 34261 2 1055 . 1 1 102 102 LEU CA C 13 54.224 0.300 . . . . . . A 129 LEU CA . 34261 2 1056 . 1 1 102 102 LEU CB C 13 47.302 0.300 . . . . . . A 129 LEU CB . 34261 2 1057 . 1 1 102 102 LEU CG C 13 26.750 0.300 . . . . . . A 129 LEU CG . 34261 2 1058 . 1 1 102 102 LEU CD1 C 13 23.907 0.300 . . . . . . A 129 LEU CD1 . 34261 2 1059 . 1 1 102 102 LEU CD2 C 13 25.978 0.300 . . . . . . A 129 LEU CD2 . 34261 2 1060 . 1 1 102 102 LEU N N 15 125.760 0.300 . . . . . . A 129 LEU N . 34261 2 1061 . 1 1 103 103 GLN H H 1 9.154 0.020 . . . . . . A 130 GLN H . 34261 2 1062 . 1 1 103 103 GLN HA H 1 4.866 0.020 . . . . . . A 130 GLN HA . 34261 2 1063 . 1 1 103 103 GLN HB2 H 1 1.680 0.020 . . . . . . A 130 GLN HB2 . 34261 2 1064 . 1 1 103 103 GLN HB3 H 1 1.680 0.020 . . . . . . A 130 GLN HB3 . 34261 2 1065 . 1 1 103 103 GLN HG2 H 1 2.411 0.020 . . . . . . A 130 GLN HG2 . 34261 2 1066 . 1 1 103 103 GLN HG3 H 1 2.411 0.020 . . . . . . A 130 GLN HG3 . 34261 2 1067 . 1 1 103 103 GLN C C 13 173.985 0.300 . . . . . . A 130 GLN C . 34261 2 1068 . 1 1 103 103 GLN CA C 13 54.458 0.300 . . . . . . A 130 GLN CA . 34261 2 1069 . 1 1 103 103 GLN CB C 13 31.999 0.300 . . . . . . A 130 GLN CB . 34261 2 1070 . 1 1 103 103 GLN CG C 13 33.763 0.300 . . . . . . A 130 GLN CG . 34261 2 1071 . 1 1 103 103 GLN N N 15 124.288 0.300 . . . . . . A 130 GLN N . 34261 2 1072 . 1 1 104 104 GLN H H 1 8.434 0.020 . . . . . . A 131 GLN H . 34261 2 1073 . 1 1 104 104 GLN HA H 1 4.806 0.020 . . . . . . A 131 GLN HA . 34261 2 1074 . 1 1 104 104 GLN HB2 H 1 2.011 0.020 . . . . . . A 131 GLN HB2 . 34261 2 1075 . 1 1 104 104 GLN HB3 H 1 1.919 0.020 . . . . . . A 131 GLN HB3 . 34261 2 1076 . 1 1 104 104 GLN C C 13 175.698 0.300 . . . . . . A 131 GLN C . 34261 2 1077 . 1 1 104 104 GLN CA C 13 54.340 0.300 . . . . . . A 131 GLN CA . 34261 2 1078 . 1 1 104 104 GLN CB C 13 31.655 0.300 . . . . . . A 131 GLN CB . 34261 2 1079 . 1 1 104 104 GLN CG C 13 34.597 0.300 . . . . . . A 131 GLN CG . 34261 2 1080 . 1 1 104 104 GLN N N 15 122.563 0.300 . . . . . . A 131 GLN N . 34261 2 1081 . 1 1 105 105 VAL H H 1 9.131 0.020 . . . . . . A 132 VAL H . 34261 2 1082 . 1 1 105 105 VAL HA H 1 3.600 0.020 . . . . . . A 132 VAL HA . 34261 2 1083 . 1 1 105 105 VAL HB H 1 2.285 0.020 . . . . . . A 132 VAL HB . 34261 2 1084 . 1 1 105 105 VAL HG11 H 1 0.972 0.020 . . . . . . A 132 VAL HG11 . 34261 2 1085 . 1 1 105 105 VAL HG12 H 1 0.972 0.020 . . . . . . A 132 VAL HG12 . 34261 2 1086 . 1 1 105 105 VAL HG13 H 1 0.972 0.020 . . . . . . A 132 VAL HG13 . 34261 2 1087 . 1 1 105 105 VAL HG21 H 1 0.972 0.020 . . . . . . A 132 VAL HG21 . 34261 2 1088 . 1 1 105 105 VAL HG22 H 1 0.972 0.020 . . . . . . A 132 VAL HG22 . 34261 2 1089 . 1 1 105 105 VAL HG23 H 1 0.972 0.020 . . . . . . A 132 VAL HG23 . 34261 2 1090 . 1 1 105 105 VAL C C 13 175.598 0.300 . . . . . . A 132 VAL C . 34261 2 1091 . 1 1 105 105 VAL CA C 13 65.980 0.300 . . . . . . A 132 VAL CA . 34261 2 1092 . 1 1 105 105 VAL CB C 13 30.372 0.300 . . . . . . A 132 VAL CB . 34261 2 1093 . 1 1 105 105 VAL CG1 C 13 21.362 0.300 . . . . . . A 132 VAL CG1 . 34261 2 1094 . 1 1 105 105 VAL CG2 C 13 21.715 0.300 . . . . . . A 132 VAL CG2 . 34261 2 1095 . 1 1 105 105 VAL N N 15 121.871 0.300 . . . . . . A 132 VAL N . 34261 2 1096 . 1 1 106 106 ASP H H 1 8.381 0.020 . . . . . . A 133 ASP H . 34261 2 1097 . 1 1 106 106 ASP HA H 1 4.669 0.020 . . . . . . A 133 ASP HA . 34261 2 1098 . 1 1 106 106 ASP HB2 H 1 2.780 0.020 . . . . . . A 133 ASP HB2 . 34261 2 1099 . 1 1 106 106 ASP HB3 H 1 2.701 0.020 . . . . . . A 133 ASP HB3 . 34261 2 1100 . 1 1 106 106 ASP C C 13 175.696 0.300 . . . . . . A 133 ASP C . 34261 2 1101 . 1 1 106 106 ASP CA C 13 54.151 0.300 . . . . . . A 133 ASP CA . 34261 2 1102 . 1 1 106 106 ASP CB C 13 41.301 0.300 . . . . . . A 133 ASP CB . 34261 2 1103 . 1 1 106 106 ASP N N 15 118.874 0.300 . . . . . . A 133 ASP N . 34261 2 1104 . 1 1 107 107 SER H H 1 7.544 0.020 . . . . . . A 134 SER H . 34261 2 1105 . 1 1 107 107 SER HA H 1 4.658 0.020 . . . . . . A 134 SER HA . 34261 2 1106 . 1 1 107 107 SER HB2 H 1 3.754 0.020 . . . . . . A 134 SER HB2 . 34261 2 1107 . 1 1 107 107 SER HB3 H 1 3.754 0.020 . . . . . . A 134 SER HB3 . 34261 2 1108 . 1 1 107 107 SER C C 13 172.130 0.300 . . . . . . A 134 SER C . 34261 2 1109 . 1 1 107 107 SER CA C 13 57.856 0.300 . . . . . . A 134 SER CA . 34261 2 1110 . 1 1 107 107 SER CB C 13 64.780 0.300 . . . . . . A 134 SER CB . 34261 2 1111 . 1 1 107 107 SER N N 15 113.654 0.300 . . . . . . A 134 SER N . 34261 2 1112 . 1 1 108 108 ASN H H 1 8.453 0.020 . . . . . . A 135 ASN H . 34261 2 1113 . 1 1 108 108 ASN HA H 1 5.247 0.020 . . . . . . A 135 ASN HA . 34261 2 1114 . 1 1 108 108 ASN HB2 H 1 2.718 0.020 . . . . . . A 135 ASN HB2 . 34261 2 1115 . 1 1 108 108 ASN HB3 H 1 2.535 0.020 . . . . . . A 135 ASN HB3 . 34261 2 1116 . 1 1 108 108 ASN C C 13 173.135 0.300 . . . . . . A 135 ASN C . 34261 2 1117 . 1 1 108 108 ASN CA C 13 52.700 0.300 . . . . . . A 135 ASN CA . 34261 2 1118 . 1 1 108 108 ASN CB C 13 41.679 0.300 . . . . . . A 135 ASN CB . 34261 2 1119 . 1 1 108 108 ASN N N 15 119.369 0.300 . . . . . . A 135 ASN N . 34261 2 1120 . 1 1 109 109 ILE H H 1 8.604 0.020 . . . . . . A 136 ILE H . 34261 2 1121 . 1 1 109 109 ILE HA H 1 4.412 0.020 . . . . . . A 136 ILE HA . 34261 2 1122 . 1 1 109 109 ILE HB H 1 1.615 0.020 . . . . . . A 136 ILE HB . 34261 2 1123 . 1 1 109 109 ILE HG12 H 1 1.411 0.020 . . . . . . A 136 ILE HG12 . 34261 2 1124 . 1 1 109 109 ILE HG13 H 1 1.037 0.020 . . . . . . A 136 ILE HG13 . 34261 2 1125 . 1 1 109 109 ILE HG21 H 1 0.762 0.020 . . . . . . A 136 ILE HG21 . 34261 2 1126 . 1 1 109 109 ILE HG22 H 1 0.762 0.020 . . . . . . A 136 ILE HG22 . 34261 2 1127 . 1 1 109 109 ILE HG23 H 1 0.762 0.020 . . . . . . A 136 ILE HG23 . 34261 2 1128 . 1 1 109 109 ILE HD11 H 1 0.757 0.020 . . . . . . A 136 ILE HD11 . 34261 2 1129 . 1 1 109 109 ILE HD12 H 1 0.757 0.020 . . . . . . A 136 ILE HD12 . 34261 2 1130 . 1 1 109 109 ILE HD13 H 1 0.757 0.020 . . . . . . A 136 ILE HD13 . 34261 2 1131 . 1 1 109 109 ILE C C 13 172.485 0.300 . . . . . . A 136 ILE C . 34261 2 1132 . 1 1 109 109 ILE CA C 13 60.184 0.300 . . . . . . A 136 ILE CA . 34261 2 1133 . 1 1 109 109 ILE CB C 13 41.570 0.300 . . . . . . A 136 ILE CB . 34261 2 1134 . 1 1 109 109 ILE CG1 C 13 27.055 0.300 . . . . . . A 136 ILE CG1 . 34261 2 1135 . 1 1 109 109 ILE CG2 C 13 17.905 0.300 . . . . . . A 136 ILE CG2 . 34261 2 1136 . 1 1 109 109 ILE CD1 C 13 13.778 0.300 . . . . . . A 136 ILE CD1 . 34261 2 1137 . 1 1 109 109 ILE N N 15 119.897 0.300 . . . . . . A 136 ILE N . 34261 2 1138 . 1 1 110 110 LYS H H 1 7.976 0.020 . . . . . . A 137 LYS H . 34261 2 1139 . 1 1 110 110 LYS HA H 1 5.215 0.020 . . . . . . A 137 LYS HA . 34261 2 1140 . 1 1 110 110 LYS HB2 H 1 1.868 0.020 . . . . . . A 137 LYS HB2 . 34261 2 1141 . 1 1 110 110 LYS HB3 H 1 1.780 0.020 . . . . . . A 137 LYS HB3 . 34261 2 1142 . 1 1 110 110 LYS HG2 H 1 1.459 0.020 . . . . . . A 137 LYS HG2 . 34261 2 1143 . 1 1 110 110 LYS HG3 H 1 1.459 0.020 . . . . . . A 137 LYS HG3 . 34261 2 1144 . 1 1 110 110 LYS HD2 H 1 1.677 0.020 . . . . . . A 137 LYS HD2 . 34261 2 1145 . 1 1 110 110 LYS HD3 H 1 1.677 0.020 . . . . . . A 137 LYS HD3 . 34261 2 1146 . 1 1 110 110 LYS HE2 H 1 2.945 0.020 . . . . . . A 137 LYS HE2 . 34261 2 1147 . 1 1 110 110 LYS HE3 H 1 2.945 0.020 . . . . . . A 137 LYS HE3 . 34261 2 1148 . 1 1 110 110 LYS C C 13 175.871 0.300 . . . . . . A 137 LYS C . 34261 2 1149 . 1 1 110 110 LYS CA C 13 54.344 0.300 . . . . . . A 137 LYS CA . 34261 2 1150 . 1 1 110 110 LYS CB C 13 36.365 0.300 . . . . . . A 137 LYS CB . 34261 2 1151 . 1 1 110 110 LYS CG C 13 24.610 0.300 . . . . . . A 137 LYS CG . 34261 2 1152 . 1 1 110 110 LYS CD C 13 29.705 0.300 . . . . . . A 137 LYS CD . 34261 2 1153 . 1 1 110 110 LYS CE C 13 42.138 0.300 . . . . . . A 137 LYS CE . 34261 2 1154 . 1 1 110 110 LYS N N 15 121.895 0.300 . . . . . . A 137 LYS N . 34261 2 1155 . 1 1 111 111 GLY H H 1 8.213 0.020 . . . . . . A 138 GLY H . 34261 2 1156 . 1 1 111 111 GLY HA2 H 1 4.134 0.020 . . . . . . A 138 GLY HA2 . 34261 2 1157 . 1 1 111 111 GLY HA3 H 1 4.000 0.020 . . . . . . A 138 GLY HA3 . 34261 2 1158 . 1 1 111 111 GLY CA C 13 45.608 0.300 . . . . . . A 138 GLY CA . 34261 2 1159 . 1 1 111 111 GLY N N 15 107.898 0.300 . . . . . . A 138 GLY N . 34261 2 1160 . 1 1 112 112 ASP HA H 1 4.697 0.020 . . . . . . A 139 ASP HA . 34261 2 1161 . 1 1 112 112 ASP HB2 H 1 2.776 0.020 . . . . . . A 139 ASP HB2 . 34261 2 1162 . 1 1 112 112 ASP HB3 H 1 2.622 0.020 . . . . . . A 139 ASP HB3 . 34261 2 1163 . 1 1 112 112 ASP C C 13 176.304 0.300 . . . . . . A 139 ASP C . 34261 2 1164 . 1 1 112 112 ASP CA C 13 56.916 0.300 . . . . . . A 139 ASP CA . 34261 2 1165 . 1 1 112 112 ASP CB C 13 41.660 0.300 . . . . . . A 139 ASP CB . 34261 2 1166 . 1 1 113 113 LYS H H 1 7.606 0.020 . . . . . . A 140 LYS H . 34261 2 1167 . 1 1 113 113 LYS HA H 1 5.229 0.020 . . . . . . A 140 LYS HA . 34261 2 1168 . 1 1 113 113 LYS HB2 H 1 1.562 0.020 . . . . . . A 140 LYS HB2 . 34261 2 1169 . 1 1 113 113 LYS HB3 H 1 1.562 0.020 . . . . . . A 140 LYS HB3 . 34261 2 1170 . 1 1 113 113 LYS HG2 H 1 1.214 0.020 . . . . . . A 140 LYS HG2 . 34261 2 1171 . 1 1 113 113 LYS HG3 H 1 1.089 0.020 . . . . . . A 140 LYS HG3 . 34261 2 1172 . 1 1 113 113 LYS HD2 H 1 1.451 0.020 . . . . . . A 140 LYS HD2 . 34261 2 1173 . 1 1 113 113 LYS HD3 H 1 1.451 0.020 . . . . . . A 140 LYS HD3 . 34261 2 1174 . 1 1 113 113 LYS HE2 H 1 2.696 0.020 . . . . . . A 140 LYS HE2 . 34261 2 1175 . 1 1 113 113 LYS HE3 H 1 2.696 0.020 . . . . . . A 140 LYS HE3 . 34261 2 1176 . 1 1 113 113 LYS C C 13 174.991 0.300 . . . . . . A 140 LYS C . 34261 2 1177 . 1 1 113 113 LYS CA C 13 55.492 0.300 . . . . . . A 140 LYS CA . 34261 2 1178 . 1 1 113 113 LYS CB C 13 35.198 0.300 . . . . . . A 140 LYS CB . 34261 2 1179 . 1 1 113 113 LYS CG C 13 24.712 0.300 . . . . . . A 140 LYS CG . 34261 2 1180 . 1 1 113 113 LYS CD C 13 29.501 0.300 . . . . . . A 140 LYS CD . 34261 2 1181 . 1 1 113 113 LYS CE C 13 41.832 0.300 . . . . . . A 140 LYS CE . 34261 2 1182 . 1 1 113 113 LYS N N 15 117.724 0.300 . . . . . . A 140 LYS N . 34261 2 1183 . 1 1 114 114 ILE H H 1 9.133 0.020 . . . . . . A 141 ILE H . 34261 2 1184 . 1 1 114 114 ILE HA H 1 4.428 0.020 . . . . . . A 141 ILE HA . 34261 2 1185 . 1 1 114 114 ILE HB H 1 1.421 0.020 . . . . . . A 141 ILE HB . 34261 2 1186 . 1 1 114 114 ILE HG12 H 1 1.214 0.020 . . . . . . A 141 ILE HG12 . 34261 2 1187 . 1 1 114 114 ILE HG13 H 1 0.768 0.020 . . . . . . A 141 ILE HG13 . 34261 2 1188 . 1 1 114 114 ILE HG21 H 1 0.683 0.020 . . . . . . A 141 ILE HG21 . 34261 2 1189 . 1 1 114 114 ILE HG22 H 1 0.683 0.020 . . . . . . A 141 ILE HG22 . 34261 2 1190 . 1 1 114 114 ILE HG23 H 1 0.683 0.020 . . . . . . A 141 ILE HG23 . 34261 2 1191 . 1 1 114 114 ILE HD11 H 1 0.458 0.020 . . . . . . A 141 ILE HD11 . 34261 2 1192 . 1 1 114 114 ILE HD12 H 1 0.458 0.020 . . . . . . A 141 ILE HD12 . 34261 2 1193 . 1 1 114 114 ILE HD13 H 1 0.458 0.020 . . . . . . A 141 ILE HD13 . 34261 2 1194 . 1 1 114 114 ILE C C 13 174.061 0.300 . . . . . . A 141 ILE C . 34261 2 1195 . 1 1 114 114 ILE CA C 13 60.505 0.300 . . . . . . A 141 ILE CA . 34261 2 1196 . 1 1 114 114 ILE CB C 13 43.365 0.300 . . . . . . A 141 ILE CB . 34261 2 1197 . 1 1 114 114 ILE CG1 C 13 26.750 0.300 . . . . . . A 141 ILE CG1 . 34261 2 1198 . 1 1 114 114 ILE CG2 C 13 17.462 0.300 . . . . . . A 141 ILE CG2 . 34261 2 1199 . 1 1 114 114 ILE CD1 C 13 14.902 0.300 . . . . . . A 141 ILE CD1 . 34261 2 1200 . 1 1 114 114 ILE N N 15 126.060 0.300 . . . . . . A 141 ILE N . 34261 2 1201 . 1 1 115 115 THR H H 1 8.728 0.020 . . . . . . A 142 THR H . 34261 2 1202 . 1 1 115 115 THR HA H 1 4.904 0.020 . . . . . . A 142 THR HA . 34261 2 1203 . 1 1 115 115 THR HB H 1 3.871 0.020 . . . . . . A 142 THR HB . 34261 2 1204 . 1 1 115 115 THR HG21 H 1 0.830 0.020 . . . . . . A 142 THR HG21 . 34261 2 1205 . 1 1 115 115 THR HG22 H 1 0.830 0.020 . . . . . . A 142 THR HG22 . 34261 2 1206 . 1 1 115 115 THR HG23 H 1 0.830 0.020 . . . . . . A 142 THR HG23 . 34261 2 1207 . 1 1 115 115 THR C C 13 172.729 0.300 . . . . . . A 142 THR C . 34261 2 1208 . 1 1 115 115 THR CA C 13 61.971 0.300 . . . . . . A 142 THR CA . 34261 2 1209 . 1 1 115 115 THR CB C 13 69.700 0.300 . . . . . . A 142 THR CB . 34261 2 1210 . 1 1 115 115 THR N N 15 121.458 0.300 . . . . . . A 142 THR N . 34261 2 1211 . 1 1 116 116 TYR H H 1 9.251 0.020 . . . . . . A 143 TYR H . 34261 2 1212 . 1 1 116 116 TYR HA H 1 4.721 0.020 . . . . . . A 143 TYR HA . 34261 2 1213 . 1 1 116 116 TYR HB2 H 1 2.785 0.020 . . . . . . A 143 TYR HB2 . 34261 2 1214 . 1 1 116 116 TYR HB3 H 1 2.613 0.020 . . . . . . A 143 TYR HB3 . 34261 2 1215 . 1 1 116 116 TYR HD1 H 1 6.452 0.020 . . . . . . A 143 TYR HD1 . 34261 2 1216 . 1 1 116 116 TYR HD2 H 1 6.452 0.020 . . . . . . A 143 TYR HD2 . 34261 2 1217 . 1 1 116 116 TYR HE1 H 1 6.672 0.020 . . . . . . A 143 TYR HE1 . 34261 2 1218 . 1 1 116 116 TYR HE2 H 1 6.672 0.020 . . . . . . A 143 TYR HE2 . 34261 2 1219 . 1 1 116 116 TYR CA C 13 56.828 0.300 . . . . . . A 143 TYR CA . 34261 2 1220 . 1 1 116 116 TYR CB C 13 41.273 0.300 . . . . . . A 143 TYR CB . 34261 2 1221 . 1 1 116 116 TYR CD1 C 13 132.266 0.300 . . . . . . A 143 TYR CD1 . 34261 2 1222 . 1 1 116 116 TYR N N 15 126.922 0.300 . . . . . . A 143 TYR N . 34261 2 stop_ save_