################################### # 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 34523 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 34523 1 2 '3D 1H-13C NOESY' . . . 34523 1 3 '3D HNCA' . . . 34523 1 4 '3D HNCACB' . . . 34523 1 5 '3D CBCA(CO)NH' . . . 34523 1 6 '3D HNCO' . . . 34523 1 7 '3D 1H-15N TOCSY' . . . 34523 1 8 '3D HBHA(CO)NH' . . . 34523 1 9 '2D 1H-13C HSQC' . . . 34523 1 10 '2D 1H-15N HSQC' . . . 34523 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 ALA HA H 1 4.085 0.004 . 1 . . . . A 2 ALA HA . 34523 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.469 0.004 . 1 . . . . A 2 ALA HB1 . 34523 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.469 0.004 . 1 . . . . A 2 ALA HB2 . 34523 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.469 0.004 . 1 . . . . A 2 ALA HB3 . 34523 1 5 . 1 . 1 2 2 ALA CA C 13 51.649 0.016 . 1 . . . . A 2 ALA CA . 34523 1 6 . 1 . 1 2 2 ALA CB C 13 19.387 0.001 . 1 . . . . A 2 ALA CB . 34523 1 7 . 1 . 1 8 8 HIS HA H 1 4.678 0.017 . 1 . . . . A 8 HIS HA . 34523 1 8 . 1 . 1 8 8 HIS HB2 H 1 3.178 0 . 1 . . . . A 8 HIS HB2 . 34523 1 9 . 1 . 1 8 8 HIS CA C 13 55.43 0.01 . 1 . . . . A 8 HIS CA . 34523 1 10 . 1 . 1 9 9 SER H H 1 8.539 0.004 . 1 . . . . A 9 SER H . 34523 1 11 . 1 . 1 9 9 SER HA H 1 4.543 0.004 . 1 . . . . A 9 SER HA . 34523 1 12 . 1 . 1 9 9 SER HB2 H 1 3.924 0 . 2 . . . . A 9 SER HB2 . 34523 1 13 . 1 . 1 9 9 SER HB3 H 1 3.892 0.002 . 2 . . . . A 9 SER HB3 . 34523 1 14 . 1 . 1 9 9 SER CA C 13 58.196 0 . 1 . . . . A 9 SER CA . 34523 1 15 . 1 . 1 9 9 SER CB C 13 63.798 0.036 . 1 . . . . A 9 SER CB . 34523 1 16 . 1 . 1 9 9 SER N N 15 117.961 0.028 . 1 . . . . A 9 SER N . 34523 1 17 . 1 . 1 10 10 SER H H 1 8.614 0.003 . 1 . . . . A 10 SER H . 34523 1 18 . 1 . 1 10 10 SER HA H 1 4.533 0.008 . 1 . . . . A 10 SER HA . 34523 1 19 . 1 . 1 10 10 SER HB2 H 1 3.958 0.006 . 2 . . . . A 10 SER HB2 . 34523 1 20 . 1 . 1 10 10 SER HB3 H 1 3.929 0.005 . 2 . . . . A 10 SER HB3 . 34523 1 21 . 1 . 1 10 10 SER CA C 13 58.433 0.061 . 1 . . . . A 10 SER CA . 34523 1 22 . 1 . 1 10 10 SER CB C 13 63.915 0.042 . 1 . . . . A 10 SER CB . 34523 1 23 . 1 . 1 10 10 SER N N 15 117.944 0.032 . 1 . . . . A 10 SER N . 34523 1 24 . 1 . 1 11 11 GLY H H 1 8.531 0.003 . 1 . . . . A 11 GLY H . 34523 1 25 . 1 . 1 11 11 GLY HA2 H 1 4.05 0.005 . 2 . . . . A 11 GLY HA2 . 34523 1 26 . 1 . 1 11 11 GLY HA3 H 1 3.996 0.008 . 2 . . . . A 11 GLY HA3 . 34523 1 27 . 1 . 1 11 11 GLY CA C 13 45.369 0.018 . 1 . . . . A 11 GLY CA . 34523 1 28 . 1 . 1 11 11 GLY N N 15 110.406 0.02 . 1 . . . . A 11 GLY N . 34523 1 29 . 1 . 1 12 12 LEU H H 1 8.146 0.004 . 1 . . . . A 12 LEU H . 34523 1 30 . 1 . 1 12 12 LEU HA H 1 4.368 0.011 . 1 . . . . A 12 LEU HA . 34523 1 31 . 1 . 1 12 12 LEU HB2 H 1 1.623 0.023 . 1 . . . . A 12 LEU HB2 . 34523 1 32 . 1 . 1 12 12 LEU HD11 H 1 0.922 0.01 . 2 . . . . A 12 LEU HD11 . 34523 1 33 . 1 . 1 12 12 LEU HD12 H 1 0.922 0.01 . 2 . . . . A 12 LEU HD12 . 34523 1 34 . 1 . 1 12 12 LEU HD13 H 1 0.922 0.01 . 2 . . . . A 12 LEU HD13 . 34523 1 35 . 1 . 1 12 12 LEU HD21 H 1 0.885 0.008 . 2 . . . . A 12 LEU HD21 . 34523 1 36 . 1 . 1 12 12 LEU HD22 H 1 0.885 0.008 . 2 . . . . A 12 LEU HD22 . 34523 1 37 . 1 . 1 12 12 LEU HD23 H 1 0.885 0.008 . 2 . . . . A 12 LEU HD23 . 34523 1 38 . 1 . 1 12 12 LEU CA C 13 55.141 0.095 . 1 . . . . A 12 LEU CA . 34523 1 39 . 1 . 1 12 12 LEU CB C 13 42.297 0.066 . 1 . . . . A 12 LEU CB . 34523 1 40 . 1 . 1 12 12 LEU CD2 C 13 23.391 0.013 . 1 . . . . A 12 LEU CD2 . 34523 1 41 . 1 . 1 12 12 LEU N N 15 121.116 0.041 . 1 . . . . A 12 LEU N . 34523 1 42 . 1 . 1 13 13 GLU H H 1 8.493 0.009 . 1 . . . . A 13 GLU H . 34523 1 43 . 1 . 1 13 13 GLU HA H 1 4.295 0.012 . 1 . . . . A 13 GLU HA . 34523 1 44 . 1 . 1 13 13 GLU HB2 H 1 1.977 0.008 . 2 . . . . A 13 GLU HB2 . 34523 1 45 . 1 . 1 13 13 GLU HB3 H 1 2.039 0.029 . 2 . . . . A 13 GLU HB3 . 34523 1 46 . 1 . 1 13 13 GLU HG2 H 1 2.306 0.016 . 2 . . . . A 13 GLU HG2 . 34523 1 47 . 1 . 1 13 13 GLU HG3 H 1 2.003 0 . 2 . . . . A 13 GLU HG3 . 34523 1 48 . 1 . 1 13 13 GLU CA C 13 56.825 0.06 . 1 . . . . A 13 GLU CA . 34523 1 49 . 1 . 1 13 13 GLU CB C 13 29.919 0.034 . 1 . . . . A 13 GLU CB . 34523 1 50 . 1 . 1 13 13 GLU N N 15 121.233 0.045 . 1 . . . . A 13 GLU N . 34523 1 51 . 1 . 1 14 14 VAL H H 1 8.075 0.007 . 1 . . . . A 14 VAL H . 34523 1 52 . 1 . 1 14 14 VAL HA H 1 4.084 0.011 . 1 . . . . A 14 VAL HA . 34523 1 53 . 1 . 1 14 14 VAL HB H 1 2.048 0.004 . 1 . . . . A 14 VAL HB . 34523 1 54 . 1 . 1 14 14 VAL HG11 H 1 0.883 0.011 . 2 . . . . A 14 VAL HG11 . 34523 1 55 . 1 . 1 14 14 VAL HG12 H 1 0.883 0.011 . 2 . . . . A 14 VAL HG12 . 34523 1 56 . 1 . 1 14 14 VAL HG13 H 1 0.883 0.011 . 2 . . . . A 14 VAL HG13 . 34523 1 57 . 1 . 1 14 14 VAL HG21 H 1 0.921 0.004 . 2 . . . . A 14 VAL HG21 . 34523 1 58 . 1 . 1 14 14 VAL HG22 H 1 0.921 0.004 . 2 . . . . A 14 VAL HG22 . 34523 1 59 . 1 . 1 14 14 VAL HG23 H 1 0.921 0.004 . 2 . . . . A 14 VAL HG23 . 34523 1 60 . 1 . 1 14 14 VAL CA C 13 62.34 0.055 . 1 . . . . A 14 VAL CA . 34523 1 61 . 1 . 1 14 14 VAL CB C 13 32.614 0.076 . 1 . . . . A 14 VAL CB . 34523 1 62 . 1 . 1 14 14 VAL CG1 C 13 21.18 0.002 . 2 . . . . A 14 VAL CG1 . 34523 1 63 . 1 . 1 14 14 VAL CG2 C 13 20.497 0.017 . 2 . . . . A 14 VAL CG2 . 34523 1 64 . 1 . 1 14 14 VAL N N 15 120.553 0.016 . 1 . . . . A 14 VAL N . 34523 1 65 . 1 . 1 15 15 LEU H H 1 8.199 0.008 . 1 . . . . A 15 LEU H . 34523 1 66 . 1 . 1 15 15 LEU HA H 1 4.355 0.026 . 1 . . . . A 15 LEU HA . 34523 1 67 . 1 . 1 15 15 LEU HB2 H 1 1.434 0.011 . 2 . . . . A 15 LEU HB2 . 34523 1 68 . 1 . 1 15 15 LEU HB3 H 1 1.57 0.008 . 2 . . . . A 15 LEU HB3 . 34523 1 69 . 1 . 1 15 15 LEU HD11 H 1 0.855 0.025 . 1 . . . . A 15 LEU HD11 . 34523 1 70 . 1 . 1 15 15 LEU HD12 H 1 0.855 0.025 . 1 . . . . A 15 LEU HD12 . 34523 1 71 . 1 . 1 15 15 LEU HD13 H 1 0.855 0.025 . 1 . . . . A 15 LEU HD13 . 34523 1 72 . 1 . 1 15 15 LEU CA C 13 54.991 0.045 . 1 . . . . A 15 LEU CA . 34523 1 73 . 1 . 1 15 15 LEU CB C 13 42.381 0.037 . 1 . . . . A 15 LEU CB . 34523 1 74 . 1 . 1 15 15 LEU N N 15 124.9 0.017 . 1 . . . . A 15 LEU N . 34523 1 75 . 1 . 1 16 16 PHE H H 1 8.224 0.002 . 1 . . . . A 16 PHE H . 34523 1 76 . 1 . 1 16 16 PHE HA H 1 4.648 0.002 . 1 . . . . A 16 PHE HA . 34523 1 77 . 1 . 1 16 16 PHE HB2 H 1 3.059 0.004 . 2 . . . . A 16 PHE HB2 . 34523 1 78 . 1 . 1 16 16 PHE HB3 H 1 3.137 0.006 . 2 . . . . A 16 PHE HB3 . 34523 1 79 . 1 . 1 16 16 PHE HD1 H 1 7.256 0.014 . 1 . . . . A 16 PHE HD1 . 34523 1 80 . 1 . 1 16 16 PHE HD2 H 1 7.256 0.014 . 1 . . . . A 16 PHE HD2 . 34523 1 81 . 1 . 1 16 16 PHE HE1 H 1 7.327 0.021 . 1 . . . . A 16 PHE HE1 . 34523 1 82 . 1 . 1 16 16 PHE HE2 H 1 7.327 0.021 . 1 . . . . A 16 PHE HE2 . 34523 1 83 . 1 . 1 16 16 PHE HZ H 1 7.282 0.02 . 1 . . . . A 16 PHE HZ . 34523 1 84 . 1 . 1 16 16 PHE CB C 13 39.471 0.022 . 1 . . . . A 16 PHE CB . 34523 1 85 . 1 . 1 16 16 PHE CD1 C 13 131.744 0.135 . 1 . . . . A 16 PHE CD1 . 34523 1 86 . 1 . 1 16 16 PHE CD2 C 13 131.744 0.135 . 1 . . . . A 16 PHE CD2 . 34523 1 87 . 1 . 1 16 16 PHE CE1 C 13 132.375 0 . 1 . . . . A 16 PHE CE1 . 34523 1 88 . 1 . 1 16 16 PHE CE2 C 13 132.375 0 . 1 . . . . A 16 PHE CE2 . 34523 1 89 . 1 . 1 16 16 PHE CZ C 13 129.772 0.052 . 1 . . . . A 16 PHE CZ . 34523 1 90 . 1 . 1 16 16 PHE N N 15 121.65 0 . 1 . . . . A 16 PHE N . 34523 1 91 . 1 . 1 17 17 GLN H H 1 8.3 0.008 . 1 . . . . A 17 GLN H . 34523 1 92 . 1 . 1 17 17 GLN HA H 1 4.395 0.005 . 1 . . . . A 17 GLN HA . 34523 1 93 . 1 . 1 17 17 GLN HB2 H 1 2.116 0.005 . 2 . . . . A 17 GLN HB2 . 34523 1 94 . 1 . 1 17 17 GLN HB3 H 1 1.949 0.007 . 2 . . . . A 17 GLN HB3 . 34523 1 95 . 1 . 1 17 17 GLN HG2 H 1 2.342 0.005 . 1 . . . . A 17 GLN HG2 . 34523 1 96 . 1 . 1 17 17 GLN HE21 H 1 6.879 0.003 . 1 . . . . A 17 GLN HE21 . 34523 1 97 . 1 . 1 17 17 GLN HE22 H 1 7.552 0.002 . 1 . . . . A 17 GLN HE22 . 34523 1 98 . 1 . 1 17 17 GLN CA C 13 55.449 0.028 . 1 . . . . A 17 GLN CA . 34523 1 99 . 1 . 1 17 17 GLN CB C 13 29.824 0.027 . 1 . . . . A 17 GLN CB . 34523 1 100 . 1 . 1 17 17 GLN CG C 13 33.708 0.032 . 1 . . . . A 17 GLN CG . 34523 1 101 . 1 . 1 17 17 GLN N N 15 122.206 0.067 . 1 . . . . A 17 GLN N . 34523 1 102 . 1 . 1 17 17 GLN NE2 N 15 111.977 0.058 . 1 . . . . A 17 GLN NE2 . 34523 1 103 . 1 . 1 18 18 GLY H H 1 8.011 0.004 . 1 . . . . A 18 GLY H . 34523 1 104 . 1 . 1 18 18 GLY HA2 H 1 4.127 0.014 . 2 . . . . A 18 GLY HA2 . 34523 1 105 . 1 . 1 18 18 GLY HA3 H 1 4.037 0.012 . 2 . . . . A 18 GLY HA3 . 34523 1 106 . 1 . 1 18 18 GLY CA C 13 44.605 0.033 . 1 . . . . A 18 GLY CA . 34523 1 107 . 1 . 1 18 18 GLY N N 15 109.727 0.033 . 1 . . . . A 18 GLY N . 34523 1 108 . 1 . 1 19 19 PRO HA H 1 4.395 0.006 . 1 . . . . A 19 PRO HA . 34523 1 109 . 1 . 1 19 19 PRO HB2 H 1 2.272 0.003 . 2 . . . . A 19 PRO HB2 . 34523 1 110 . 1 . 1 19 19 PRO HB3 H 1 1.964 0.004 . 2 . . . . A 19 PRO HB3 . 34523 1 111 . 1 . 1 19 19 PRO HG2 H 1 2.033 0.006 . 1 . . . . A 19 PRO HG2 . 34523 1 112 . 1 . 1 19 19 PRO HD2 H 1 3.654 0.006 . 1 . . . . A 19 PRO HD2 . 34523 1 113 . 1 . 1 19 19 PRO CA C 13 63.343 0.049 . 1 . . . . A 19 PRO CA . 34523 1 114 . 1 . 1 19 19 PRO CB C 13 31.999 0.025 . 1 . . . . A 19 PRO CB . 34523 1 115 . 1 . 1 19 19 PRO CG C 13 27.137 0.057 . 1 . . . . A 19 PRO CG . 34523 1 116 . 1 . 1 19 19 PRO CD C 13 49.706 0.056 . 1 . . . . A 19 PRO CD . 34523 1 117 . 1 . 1 20 20 GLU H H 1 8.614 0.005 . 1 . . . . A 20 GLU H . 34523 1 118 . 1 . 1 20 20 GLU HA H 1 4.271 0.002 . 1 . . . . A 20 GLU HA . 34523 1 119 . 1 . 1 20 20 GLU HB2 H 1 1.971 0.014 . 1 . . . . A 20 GLU HB2 . 34523 1 120 . 1 . 1 20 20 GLU HG2 H 1 2.3 0.004 . 1 . . . . A 20 GLU HG2 . 34523 1 121 . 1 . 1 20 20 GLU CA C 13 56.825 0.092 . 1 . . . . A 20 GLU CA . 34523 1 122 . 1 . 1 20 20 GLU N N 15 120.317 0.146 . 1 . . . . A 20 GLU N . 34523 1 123 . 1 . 1 21 21 GLY H H 1 8.324 0.006 . 1 . . . . A 21 GLY H . 34523 1 124 . 1 . 1 21 21 GLY HA2 H 1 3.789 0.018 . 2 . . . . A 21 GLY HA2 . 34523 1 125 . 1 . 1 21 21 GLY HA3 H 1 3.874 0.015 . 2 . . . . A 21 GLY HA3 . 34523 1 126 . 1 . 1 21 21 GLY CA C 13 45.306 0.024 . 1 . . . . A 21 GLY CA . 34523 1 127 . 1 . 1 21 21 GLY N N 15 109.59 0.053 . 1 . . . . A 21 GLY N . 34523 1 128 . 1 . 1 22 22 ARG H H 1 7.802 0.005 . 1 . . . . A 22 ARG H . 34523 1 129 . 1 . 1 22 22 ARG HA H 1 3.821 0.011 . 1 . . . . A 22 ARG HA . 34523 1 130 . 1 . 1 22 22 ARG N N 15 120.876 0.067 . 1 . . . . A 22 ARG N . 34523 1 131 . 1 . 1 23 23 GLU H H 1 7.439 0.012 . 1 . . . . A 23 GLU H . 34523 1 132 . 1 . 1 23 23 GLU HA H 1 5.043 0.011 . 1 . . . . A 23 GLU HA . 34523 1 133 . 1 . 1 23 23 GLU HB2 H 1 1.799 0.006 . 2 . . . . A 23 GLU HB2 . 34523 1 134 . 1 . 1 23 23 GLU HB3 H 1 2.37 0 . 2 . . . . A 23 GLU HB3 . 34523 1 135 . 1 . 1 23 23 GLU HG2 H 1 2.073 0.01 . 1 . . . . A 23 GLU HG2 . 34523 1 136 . 1 . 1 23 23 GLU CA C 13 53.749 0.049 . 1 . . . . A 23 GLU CA . 34523 1 137 . 1 . 1 23 23 GLU CB C 13 33.09 0.012 . 1 . . . . A 23 GLU CB . 34523 1 138 . 1 . 1 23 23 GLU N N 15 119.397 0.085 . 1 . . . . A 23 GLU N . 34523 1 139 . 1 . 1 24 24 CYS H H 1 9.309 0.006 . 1 . . . . A 24 CYS H . 34523 1 140 . 1 . 1 24 24 CYS HA H 1 4.74 0.027 . 1 . . . . A 24 CYS HA . 34523 1 141 . 1 . 1 24 24 CYS HB2 H 1 3.63 0.011 . 2 . . . . A 24 CYS HB2 . 34523 1 142 . 1 . 1 24 24 CYS HB3 H 1 3.086 0.007 . 2 . . . . A 24 CYS HB3 . 34523 1 143 . 1 . 1 24 24 CYS CB C 13 30.986 0.066 . 1 . . . . A 24 CYS CB . 34523 1 144 . 1 . 1 24 24 CYS N N 15 124.661 0.087 . 1 . . . . A 24 CYS N . 34523 1 145 . 1 . 1 25 25 VAL H H 1 9.312 0.003 . 1 . . . . A 25 VAL H . 34523 1 146 . 1 . 1 25 25 VAL HA H 1 4.161 0.011 . 1 . . . . A 25 VAL HA . 34523 1 147 . 1 . 1 25 25 VAL HB H 1 2.371 0.005 . 1 . . . . A 25 VAL HB . 34523 1 148 . 1 . 1 25 25 VAL HG11 H 1 1.113 0.012 . 2 . . . . A 25 VAL HG11 . 34523 1 149 . 1 . 1 25 25 VAL HG12 H 1 1.113 0.012 . 2 . . . . A 25 VAL HG12 . 34523 1 150 . 1 . 1 25 25 VAL HG13 H 1 1.113 0.012 . 2 . . . . A 25 VAL HG13 . 34523 1 151 . 1 . 1 25 25 VAL HG21 H 1 0.94 0.003 . 2 . . . . A 25 VAL HG21 . 34523 1 152 . 1 . 1 25 25 VAL HG22 H 1 0.94 0.003 . 2 . . . . A 25 VAL HG22 . 34523 1 153 . 1 . 1 25 25 VAL HG23 H 1 0.94 0.003 . 2 . . . . A 25 VAL HG23 . 34523 1 154 . 1 . 1 25 25 VAL CA C 13 64.177 0.017 . 1 . . . . A 25 VAL CA . 34523 1 155 . 1 . 1 25 25 VAL CB C 13 32.217 0.054 . 1 . . . . A 25 VAL CB . 34523 1 156 . 1 . 1 25 25 VAL CG1 C 13 20.696 0.014 . 2 . . . . A 25 VAL CG1 . 34523 1 157 . 1 . 1 25 25 VAL CG2 C 13 20.531 0.029 . 2 . . . . A 25 VAL CG2 . 34523 1 158 . 1 . 1 25 25 VAL N N 15 129.974 0.053 . 1 . . . . A 25 VAL N . 34523 1 159 . 1 . 1 26 26 ASN H H 1 8.885 0.004 . 1 . . . . A 26 ASN H . 34523 1 160 . 1 . 1 26 26 ASN HA H 1 4.976 0.011 . 1 . . . . A 26 ASN HA . 34523 1 161 . 1 . 1 26 26 ASN HB2 H 1 3.454 0.012 . 2 . . . . A 26 ASN HB2 . 34523 1 162 . 1 . 1 26 26 ASN HB3 H 1 2.648 0.017 . 2 . . . . A 26 ASN HB3 . 34523 1 163 . 1 . 1 26 26 ASN CA C 13 55.735 0.067 . 1 . . . . A 26 ASN CA . 34523 1 164 . 1 . 1 26 26 ASN CB C 13 40.383 0.042 . 1 . . . . A 26 ASN CB . 34523 1 165 . 1 . 1 26 26 ASN N N 15 120.788 0.043 . 1 . . . . A 26 ASN N . 34523 1 166 . 1 . 1 27 27 CYS H H 1 8.609 0.004 . 1 . . . . A 27 CYS H . 34523 1 167 . 1 . 1 27 27 CYS HA H 1 5.063 0.011 . 1 . . . . A 27 CYS HA . 34523 1 168 . 1 . 1 27 27 CYS HB2 H 1 3.356 0.011 . 2 . . . . A 27 CYS HB2 . 34523 1 169 . 1 . 1 27 27 CYS HB3 H 1 2.519 0.013 . 2 . . . . A 27 CYS HB3 . 34523 1 170 . 1 . 1 27 27 CYS CA C 13 58.862 0.076 . 1 . . . . A 27 CYS CA . 34523 1 171 . 1 . 1 27 27 CYS CB C 13 34.274 0.02 . 1 . . . . A 27 CYS CB . 34523 1 172 . 1 . 1 27 27 CYS N N 15 116.675 0.059 . 1 . . . . A 27 CYS N . 34523 1 173 . 1 . 1 28 28 GLY H H 1 8.227 0.006 . 1 . . . . A 28 GLY H . 34523 1 174 . 1 . 1 28 28 GLY HA2 H 1 4.329 0.013 . 2 . . . . A 28 GLY HA2 . 34523 1 175 . 1 . 1 28 28 GLY HA3 H 1 3.948 0.012 . 2 . . . . A 28 GLY HA3 . 34523 1 176 . 1 . 1 28 28 GLY CA C 13 45.99 0.033 . 1 . . . . A 28 GLY CA . 34523 1 177 . 1 . 1 28 28 GLY N N 15 112.543 0.069 . 1 . . . . A 28 GLY N . 34523 1 178 . 1 . 1 29 29 ALA H H 1 9.213 0.005 . 1 . . . . A 29 ALA H . 34523 1 179 . 1 . 1 29 29 ALA HA H 1 4.425 0.006 . 1 . . . . A 29 ALA HA . 34523 1 180 . 1 . 1 29 29 ALA HB1 H 1 1.609 0.01 . 1 . . . . A 29 ALA HB1 . 34523 1 181 . 1 . 1 29 29 ALA HB2 H 1 1.609 0.01 . 1 . . . . A 29 ALA HB2 . 34523 1 182 . 1 . 1 29 29 ALA HB3 H 1 1.609 0.01 . 1 . . . . A 29 ALA HB3 . 34523 1 183 . 1 . 1 29 29 ALA CA C 13 54.086 0.07 . 1 . . . . A 29 ALA CA . 34523 1 184 . 1 . 1 29 29 ALA CB C 13 20.071 0.017 . 1 . . . . A 29 ALA CB . 34523 1 185 . 1 . 1 29 29 ALA N N 15 125.484 0.042 . 1 . . . . A 29 ALA N . 34523 1 186 . 1 . 1 30 30 THR H H 1 8.582 0.006 . 1 . . . . A 30 THR H . 34523 1 187 . 1 . 1 30 30 THR HA H 1 5.031 0.009 . 1 . . . . A 30 THR HA . 34523 1 188 . 1 . 1 30 30 THR HG21 H 1 1.417 0.009 . 1 . . . . A 30 THR HG21 . 34523 1 189 . 1 . 1 30 30 THR HG22 H 1 1.417 0.009 . 1 . . . . A 30 THR HG22 . 34523 1 190 . 1 . 1 30 30 THR HG23 H 1 1.417 0.009 . 1 . . . . A 30 THR HG23 . 34523 1 191 . 1 . 1 30 30 THR CA C 13 60.955 0.03 . 1 . . . . A 30 THR CA . 34523 1 192 . 1 . 1 30 30 THR CG2 C 13 21.74 0.026 . 1 . . . . A 30 THR CG2 . 34523 1 193 . 1 . 1 30 30 THR N N 15 107.283 0.013 . 1 . . . . A 30 THR N . 34523 1 194 . 1 . 1 31 31 ALA H H 1 7.722 0.013 . 1 . . . . A 31 ALA H . 34523 1 195 . 1 . 1 31 31 ALA HB1 H 1 1.333 0.005 . 1 . . . . A 31 ALA HB1 . 34523 1 196 . 1 . 1 31 31 ALA HB2 H 1 1.333 0.005 . 1 . . . . A 31 ALA HB2 . 34523 1 197 . 1 . 1 31 31 ALA HB3 H 1 1.333 0.005 . 1 . . . . A 31 ALA HB3 . 34523 1 198 . 1 . 1 31 31 ALA CB C 13 21.213 0.01 . 1 . . . . A 31 ALA CB . 34523 1 199 . 1 . 1 31 31 ALA N N 15 125.031 0.039 . 1 . . . . A 31 ALA N . 34523 1 200 . 1 . 1 32 32 THR H H 1 7.764 0.013 . 1 . . . . A 32 THR H . 34523 1 201 . 1 . 1 32 32 THR HA H 1 4.712 0.005 . 1 . . . . A 32 THR HA . 34523 1 202 . 1 . 1 32 32 THR CA C 13 58.473 0.12 . 1 . . . . A 32 THR CA . 34523 1 203 . 1 . 1 32 32 THR N N 15 115.963 0.052 . 1 . . . . A 32 THR N . 34523 1 204 . 1 . 1 33 33 PRO HA H 1 4.365 0.004 . 1 . . . . A 33 PRO HA . 34523 1 205 . 1 . 1 33 33 PRO HB2 H 1 1.778 0.009 . 2 . . . . A 33 PRO HB2 . 34523 1 206 . 1 . 1 33 33 PRO HB3 H 1 2.371 0.007 . 2 . . . . A 33 PRO HB3 . 34523 1 207 . 1 . 1 33 33 PRO HG2 H 1 1.912 0.024 . 2 . . . . A 33 PRO HG2 . 34523 1 208 . 1 . 1 33 33 PRO HG3 H 1 1.977 0.022 . 2 . . . . A 33 PRO HG3 . 34523 1 209 . 1 . 1 33 33 PRO HD2 H 1 3.76 0.002 . 2 . . . . A 33 PRO HD2 . 34523 1 210 . 1 . 1 33 33 PRO HD3 H 1 3.762 0.001 . 2 . . . . A 33 PRO HD3 . 34523 1 211 . 1 . 1 33 33 PRO CA C 13 63.988 0.076 . 1 . . . . A 33 PRO CA . 34523 1 212 . 1 . 1 33 33 PRO CB C 13 32.3 0.018 . 1 . . . . A 33 PRO CB . 34523 1 213 . 1 . 1 33 33 PRO CG C 13 27.57 0.044 . 1 . . . . A 33 PRO CG . 34523 1 214 . 1 . 1 33 33 PRO CD C 13 52.184 0.038 . 1 . . . . A 33 PRO CD . 34523 1 215 . 1 . 1 34 34 LEU H H 1 9.151 0.002 . 1 . . . . A 34 LEU H . 34523 1 216 . 1 . 1 34 34 LEU HA H 1 5.972 0.013 . 1 . . . . A 34 LEU HA . 34523 1 217 . 1 . 1 34 34 LEU HB2 H 1 1.481 0.006 . 2 . . . . A 34 LEU HB2 . 34523 1 218 . 1 . 1 34 34 LEU HB3 H 1 1.633 0.009 . 2 . . . . A 34 LEU HB3 . 34523 1 219 . 1 . 1 34 34 LEU HD11 H 1 1.081 0.004 . 2 . . . . A 34 LEU HD11 . 34523 1 220 . 1 . 1 34 34 LEU HD12 H 1 1.081 0.004 . 2 . . . . A 34 LEU HD12 . 34523 1 221 . 1 . 1 34 34 LEU HD13 H 1 1.081 0.004 . 2 . . . . A 34 LEU HD13 . 34523 1 222 . 1 . 1 34 34 LEU HD21 H 1 0.842 0.004 . 2 . . . . A 34 LEU HD21 . 34523 1 223 . 1 . 1 34 34 LEU HD22 H 1 0.842 0.004 . 2 . . . . A 34 LEU HD22 . 34523 1 224 . 1 . 1 34 34 LEU HD23 H 1 0.842 0.004 . 2 . . . . A 34 LEU HD23 . 34523 1 225 . 1 . 1 34 34 LEU CA C 13 52.657 0.025 . 1 . . . . A 34 LEU CA . 34523 1 226 . 1 . 1 34 34 LEU CB C 13 46.733 0.057 . 1 . . . . A 34 LEU CB . 34523 1 227 . 1 . 1 34 34 LEU CD1 C 13 25.634 0.017 . 2 . . . . A 34 LEU CD1 . 34523 1 228 . 1 . 1 34 34 LEU CD2 C 13 26.382 0.043 . 2 . . . . A 34 LEU CD2 . 34523 1 229 . 1 . 1 34 34 LEU N N 15 120.091 0.08 . 1 . . . . A 34 LEU N . 34523 1 230 . 1 . 1 35 35 TRP H H 1 9.674 0.006 . 1 . . . . A 35 TRP H . 34523 1 231 . 1 . 1 35 35 TRP HA H 1 4.423 0 . 1 . . . . A 35 TRP HA . 34523 1 232 . 1 . 1 35 35 TRP HB2 H 1 2.724 0.004 . 2 . . . . A 35 TRP HB2 . 34523 1 233 . 1 . 1 35 35 TRP HB3 H 1 3.075 0.015 . 2 . . . . A 35 TRP HB3 . 34523 1 234 . 1 . 1 35 35 TRP HD1 H 1 7.23 0.022 . 1 . . . . A 35 TRP HD1 . 34523 1 235 . 1 . 1 35 35 TRP HE1 H 1 10.142 0.003 . 1 . . . . A 35 TRP HE1 . 34523 1 236 . 1 . 1 35 35 TRP HE3 H 1 7.499 0.019 . 1 . . . . A 35 TRP HE3 . 34523 1 237 . 1 . 1 35 35 TRP HZ2 H 1 7.097 0.025 . 1 . . . . A 35 TRP HZ2 . 34523 1 238 . 1 . 1 35 35 TRP HZ3 H 1 6.5 0.025 . 1 . . . . A 35 TRP HZ3 . 34523 1 239 . 1 . 1 35 35 TRP HH2 H 1 7.091 0.01 . 1 . . . . A 35 TRP HH2 . 34523 1 240 . 1 . 1 35 35 TRP CB C 13 30.393 0.031 . 1 . . . . A 35 TRP CB . 34523 1 241 . 1 . 1 35 35 TRP CD1 C 13 127.048 0.077 . 1 . . . . A 35 TRP CD1 . 34523 1 242 . 1 . 1 35 35 TRP CE3 C 13 120.575 0.109 . 1 . . . . A 35 TRP CE3 . 34523 1 243 . 1 . 1 35 35 TRP CZ2 C 13 114.546 0.058 . 1 . . . . A 35 TRP CZ2 . 34523 1 244 . 1 . 1 35 35 TRP CZ3 C 13 120.451 0.028 . 1 . . . . A 35 TRP CZ3 . 34523 1 245 . 1 . 1 35 35 TRP CH2 C 13 124.423 0.059 . 1 . . . . A 35 TRP CH2 . 34523 1 246 . 1 . 1 35 35 TRP N N 15 120.019 0.08 . 1 . . . . A 35 TRP N . 34523 1 247 . 1 . 1 35 35 TRP NE1 N 15 128.734 0.035 . 1 . . . . A 35 TRP NE1 . 34523 1 248 . 1 . 1 36 36 ARG H H 1 8.531 0.009 . 1 . . . . A 36 ARG H . 34523 1 249 . 1 . 1 36 36 ARG HA H 1 4.421 0.004 . 1 . . . . A 36 ARG HA . 34523 1 250 . 1 . 1 36 36 ARG CA C 13 57.996 0.018 . 1 . . . . A 36 ARG CA . 34523 1 251 . 1 . 1 36 36 ARG N N 15 124.054 0.125 . 1 . . . . A 36 ARG N . 34523 1 252 . 1 . 1 37 37 ARG HA H 1 4.955 0 . 1 . . . . A 37 ARG HA . 34523 1 253 . 1 . 1 38 38 ASP H H 1 8.49 0.004 . 1 . . . . A 38 ASP H . 34523 1 254 . 1 . 1 38 38 ASP HA H 1 4.678 0.004 . 1 . . . . A 38 ASP HA . 34523 1 255 . 1 . 1 38 38 ASP HB2 H 1 2.405 0.006 . 2 . . . . A 38 ASP HB2 . 34523 1 256 . 1 . 1 38 38 ASP HB3 H 1 3.139 0.005 . 2 . . . . A 38 ASP HB3 . 34523 1 257 . 1 . 1 38 38 ASP CA C 13 52.492 0.122 . 1 . . . . A 38 ASP CA . 34523 1 258 . 1 . 1 38 38 ASP CB C 13 41.228 0.029 . 1 . . . . A 38 ASP CB . 34523 1 259 . 1 . 1 38 38 ASP N N 15 121.55 0.092 . 1 . . . . A 38 ASP N . 34523 1 260 . 1 . 1 39 39 GLY H H 1 8.48 0.011 . 1 . . . . A 39 GLY H . 34523 1 261 . 1 . 1 39 39 GLY HA2 H 1 4.15 0.013 . 2 . . . . A 39 GLY HA2 . 34523 1 262 . 1 . 1 39 39 GLY HA3 H 1 3.982 0.01 . 2 . . . . A 39 GLY HA3 . 34523 1 263 . 1 . 1 39 39 GLY CA C 13 46.065 0.021 . 1 . . . . A 39 GLY CA . 34523 1 264 . 1 . 1 39 39 GLY N N 15 106.79 0.03 . 1 . . . . A 39 GLY N . 34523 1 265 . 1 . 1 40 40 THR H H 1 8.5 0.012 . 1 . . . . A 40 THR H . 34523 1 266 . 1 . 1 40 40 THR HA H 1 4.619 0.01 . 1 . . . . A 40 THR HA . 34523 1 267 . 1 . 1 40 40 THR HB H 1 4.54 0.012 . 1 . . . . A 40 THR HB . 34523 1 268 . 1 . 1 40 40 THR HG21 H 1 1.185 0.01 . 1 . . . . A 40 THR HG21 . 34523 1 269 . 1 . 1 40 40 THR HG22 H 1 1.185 0.01 . 1 . . . . A 40 THR HG22 . 34523 1 270 . 1 . 1 40 40 THR HG23 H 1 1.185 0.01 . 1 . . . . A 40 THR HG23 . 34523 1 271 . 1 . 1 40 40 THR CA C 13 60.73 0.022 . 1 . . . . A 40 THR CA . 34523 1 272 . 1 . 1 40 40 THR CB C 13 69.798 0.093 . 1 . . . . A 40 THR CB . 34523 1 273 . 1 . 1 40 40 THR CG2 C 13 21.492 0.089 . 1 . . . . A 40 THR CG2 . 34523 1 274 . 1 . 1 40 40 THR N N 15 110.783 0.055 . 1 . . . . A 40 THR N . 34523 1 275 . 1 . 1 41 41 GLY H H 1 8.244 0.009 . 1 . . . . A 41 GLY H . 34523 1 276 . 1 . 1 41 41 GLY HA2 H 1 3.505 0.004 . 2 . . . . A 41 GLY HA2 . 34523 1 277 . 1 . 1 41 41 GLY HA3 H 1 4.087 0.009 . 2 . . . . A 41 GLY HA3 . 34523 1 278 . 1 . 1 41 41 GLY CA C 13 45.151 0.057 . 1 . . . . A 41 GLY CA . 34523 1 279 . 1 . 1 41 41 GLY N N 15 109.087 0.041 . 1 . . . . A 41 GLY N . 34523 1 280 . 1 . 1 42 42 HIS H H 1 8.606 0.011 . 1 . . . . A 42 HIS H . 34523 1 281 . 1 . 1 42 42 HIS HA H 1 4.691 0 . 1 . . . . A 42 HIS HA . 34523 1 282 . 1 . 1 42 42 HIS HB2 H 1 3.172 0.005 . 2 . . . . A 42 HIS HB2 . 34523 1 283 . 1 . 1 42 42 HIS HB3 H 1 3.468 0.01 . 2 . . . . A 42 HIS HB3 . 34523 1 284 . 1 . 1 42 42 HIS CB C 13 29.187 0.049 . 1 . . . . A 42 HIS CB . 34523 1 285 . 1 . 1 42 42 HIS N N 15 119.178 0.08 . 1 . . . . A 42 HIS N . 34523 1 286 . 1 . 1 43 43 TYR H H 1 8.899 0.006 . 1 . . . . A 43 TYR H . 34523 1 287 . 1 . 1 43 43 TYR HA H 1 5.131 0.015 . 1 . . . . A 43 TYR HA . 34523 1 288 . 1 . 1 43 43 TYR HB2 H 1 2.701 0.011 . 2 . . . . A 43 TYR HB2 . 34523 1 289 . 1 . 1 43 43 TYR HB3 H 1 2.986 0.013 . 2 . . . . A 43 TYR HB3 . 34523 1 290 . 1 . 1 43 43 TYR HD1 H 1 7.071 0.009 . 1 . . . . A 43 TYR HD1 . 34523 1 291 . 1 . 1 43 43 TYR HD2 H 1 7.071 0.009 . 1 . . . . A 43 TYR HD2 . 34523 1 292 . 1 . 1 43 43 TYR HE1 H 1 6.674 0.014 . 1 . . . . A 43 TYR HE1 . 34523 1 293 . 1 . 1 43 43 TYR HE2 H 1 6.674 0.014 . 1 . . . . A 43 TYR HE2 . 34523 1 294 . 1 . 1 43 43 TYR CA C 13 59.124 0.032 . 1 . . . . A 43 TYR CA . 34523 1 295 . 1 . 1 43 43 TYR CB C 13 40.96 0.029 . 1 . . . . A 43 TYR CB . 34523 1 296 . 1 . 1 43 43 TYR CD1 C 13 132.607 0.041 . 1 . . . . A 43 TYR CD1 . 34523 1 297 . 1 . 1 43 43 TYR CD2 C 13 132.607 0.041 . 1 . . . . A 43 TYR CD2 . 34523 1 298 . 1 . 1 43 43 TYR CE1 C 13 117.818 0.054 . 1 . . . . A 43 TYR CE1 . 34523 1 299 . 1 . 1 43 43 TYR CE2 C 13 117.818 0.054 . 1 . . . . A 43 TYR CE2 . 34523 1 300 . 1 . 1 43 43 TYR N N 15 118.913 0.032 . 1 . . . . A 43 TYR N . 34523 1 301 . 1 . 1 44 44 LEU HA H 1 4.418 0.01 . 1 . . . . A 44 LEU HA . 34523 1 302 . 1 . 1 44 44 LEU HB2 H 1 1.408 0.01 . 2 . . . . A 44 LEU HB2 . 34523 1 303 . 1 . 1 44 44 LEU HB3 H 1 1.488 0.008 . 2 . . . . A 44 LEU HB3 . 34523 1 304 . 1 . 1 44 44 LEU HG H 1 1.611 0.01 . 1 . . . . A 44 LEU HG . 34523 1 305 . 1 . 1 44 44 LEU HD11 H 1 0.841 0.007 . 2 . . . . A 44 LEU HD11 . 34523 1 306 . 1 . 1 44 44 LEU HD12 H 1 0.841 0.007 . 2 . . . . A 44 LEU HD12 . 34523 1 307 . 1 . 1 44 44 LEU HD13 H 1 0.841 0.007 . 2 . . . . A 44 LEU HD13 . 34523 1 308 . 1 . 1 44 44 LEU HD21 H 1 0.972 0.003 . 2 . . . . A 44 LEU HD21 . 34523 1 309 . 1 . 1 44 44 LEU HD22 H 1 0.972 0.003 . 2 . . . . A 44 LEU HD22 . 34523 1 310 . 1 . 1 44 44 LEU HD23 H 1 0.972 0.003 . 2 . . . . A 44 LEU HD23 . 34523 1 311 . 1 . 1 44 44 LEU CA C 13 54.928 0.135 . 1 . . . . A 44 LEU CA . 34523 1 312 . 1 . 1 44 44 LEU CB C 13 44.855 0.081 . 1 . . . . A 44 LEU CB . 34523 1 313 . 1 . 1 44 44 LEU CD1 C 13 25.112 0.036 . 2 . . . . A 44 LEU CD1 . 34523 1 314 . 1 . 1 44 44 LEU CD2 C 13 24.078 0.025 . 2 . . . . A 44 LEU CD2 . 34523 1 315 . 1 . 1 46 46 ASN HA H 1 3.754 0.009 . 1 . . . . A 46 ASN HA . 34523 1 316 . 1 . 1 46 46 ASN HB2 H 1 2.718 0.016 . 2 . . . . A 46 ASN HB2 . 34523 1 317 . 1 . 1 46 46 ASN HB3 H 1 3.178 0.01 . 2 . . . . A 46 ASN HB3 . 34523 1 318 . 1 . 1 46 46 ASN HD21 H 1 7.042 0.012 . 1 . . . . A 46 ASN HD21 . 34523 1 319 . 1 . 1 46 46 ASN HD22 H 1 7.717 0.004 . 1 . . . . A 46 ASN HD22 . 34523 1 320 . 1 . 1 46 46 ASN CA C 13 52.193 0.015 . 1 . . . . A 46 ASN CA . 34523 1 321 . 1 . 1 46 46 ASN CB C 13 39.38 0.055 . 1 . . . . A 46 ASN CB . 34523 1 322 . 1 . 1 46 46 ASN ND2 N 15 113.915 0.06 . 1 . . . . A 46 ASN ND2 . 34523 1 323 . 1 . 1 47 47 ALA H H 1 8.121 0.01 . 1 . . . . A 47 ALA H . 34523 1 324 . 1 . 1 47 47 ALA HA H 1 4.192 0.019 . 1 . . . . A 47 ALA HA . 34523 1 325 . 1 . 1 47 47 ALA HB1 H 1 1.571 0.011 . 1 . . . . A 47 ALA HB1 . 34523 1 326 . 1 . 1 47 47 ALA HB2 H 1 1.571 0.011 . 1 . . . . A 47 ALA HB2 . 34523 1 327 . 1 . 1 47 47 ALA HB3 H 1 1.571 0.011 . 1 . . . . A 47 ALA HB3 . 34523 1 328 . 1 . 1 47 47 ALA CA C 13 55.418 0.037 . 1 . . . . A 47 ALA CA . 34523 1 329 . 1 . 1 47 47 ALA CB C 13 18.721 0.021 . 1 . . . . A 47 ALA CB . 34523 1 330 . 1 . 1 47 47 ALA N N 15 119.672 0.087 . 1 . . . . A 47 ALA N . 34523 1 331 . 1 . 1 48 48 CYS H H 1 8.992 0.007 . 1 . . . . A 48 CYS H . 34523 1 332 . 1 . 1 48 48 CYS HA H 1 4.106 0.005 . 1 . . . . A 48 CYS HA . 34523 1 333 . 1 . 1 48 48 CYS HB2 H 1 3.11 0.012 . 2 . . . . A 48 CYS HB2 . 34523 1 334 . 1 . 1 48 48 CYS HB3 H 1 3.279 0.01 . 2 . . . . A 48 CYS HB3 . 34523 1 335 . 1 . 1 48 48 CYS CA C 13 64.372 0.031 . 1 . . . . A 48 CYS CA . 34523 1 336 . 1 . 1 48 48 CYS CB C 13 29.937 0.05 . 1 . . . . A 48 CYS CB . 34523 1 337 . 1 . 1 48 48 CYS N N 15 121.279 0.048 . 1 . . . . A 48 CYS N . 34523 1 338 . 1 . 1 49 49 GLY H H 1 9.198 0.014 . 1 . . . . A 49 GLY H . 34523 1 339 . 1 . 1 49 49 GLY HA2 H 1 3.611 0.011 . 2 . . . . A 49 GLY HA2 . 34523 1 340 . 1 . 1 49 49 GLY HA3 H 1 4.006 0.011 . 2 . . . . A 49 GLY HA3 . 34523 1 341 . 1 . 1 49 49 GLY CA C 13 46.971 0.034 . 1 . . . . A 49 GLY CA . 34523 1 342 . 1 . 1 49 49 GLY N N 15 108.602 0.059 . 1 . . . . A 49 GLY N . 34523 1 343 . 1 . 1 50 50 LEU H H 1 8.612 0.004 . 1 . . . . A 50 LEU H . 34523 1 344 . 1 . 1 50 50 LEU HA H 1 4.163 0.009 . 1 . . . . A 50 LEU HA . 34523 1 345 . 1 . 1 50 50 LEU HB2 H 1 1.466 0.005 . 2 . . . . A 50 LEU HB2 . 34523 1 346 . 1 . 1 50 50 LEU HB3 H 1 1.709 0.011 . 2 . . . . A 50 LEU HB3 . 34523 1 347 . 1 . 1 50 50 LEU HD11 H 1 0.866 0.006 . 2 . . . . A 50 LEU HD11 . 34523 1 348 . 1 . 1 50 50 LEU HD12 H 1 0.866 0.006 . 2 . . . . A 50 LEU HD12 . 34523 1 349 . 1 . 1 50 50 LEU HD13 H 1 0.866 0.006 . 2 . . . . A 50 LEU HD13 . 34523 1 350 . 1 . 1 50 50 LEU HD21 H 1 0.884 0.003 . 2 . . . . A 50 LEU HD21 . 34523 1 351 . 1 . 1 50 50 LEU HD22 H 1 0.884 0.003 . 2 . . . . A 50 LEU HD22 . 34523 1 352 . 1 . 1 50 50 LEU HD23 H 1 0.884 0.003 . 2 . . . . A 50 LEU HD23 . 34523 1 353 . 1 . 1 50 50 LEU CB C 13 42.09 0.026 . 1 . . . . A 50 LEU CB . 34523 1 354 . 1 . 1 50 50 LEU CD1 C 13 23.413 0.02 . 2 . . . . A 50 LEU CD1 . 34523 1 355 . 1 . 1 50 50 LEU CD2 C 13 24.81 0.025 . 2 . . . . A 50 LEU CD2 . 34523 1 356 . 1 . 1 50 50 LEU N N 15 123.179 0.035 . 1 . . . . A 50 LEU N . 34523 1 357 . 1 . 1 51 51 TYR H H 1 7.785 0.002 . 1 . . . . A 51 TYR H . 34523 1 358 . 1 . 1 51 51 TYR HA H 1 4.282 0.005 . 1 . . . . A 51 TYR HA . 34523 1 359 . 1 . 1 51 51 TYR HB2 H 1 3.154 0.019 . 2 . . . . A 51 TYR HB2 . 34523 1 360 . 1 . 1 51 51 TYR HB3 H 1 3.107 0.004 . 2 . . . . A 51 TYR HB3 . 34523 1 361 . 1 . 1 51 51 TYR HD1 H 1 7.205 0.009 . 1 . . . . A 51 TYR HD1 . 34523 1 362 . 1 . 1 51 51 TYR HD2 H 1 7.205 0.009 . 1 . . . . A 51 TYR HD2 . 34523 1 363 . 1 . 1 51 51 TYR HE1 H 1 6.769 0.003 . 1 . . . . A 51 TYR HE1 . 34523 1 364 . 1 . 1 51 51 TYR HE2 H 1 6.769 0.003 . 1 . . . . A 51 TYR HE2 . 34523 1 365 . 1 . 1 51 51 TYR CA C 13 60.228 0.061 . 1 . . . . A 51 TYR CA . 34523 1 366 . 1 . 1 51 51 TYR CB C 13 38.863 0.102 . 1 . . . . A 51 TYR CB . 34523 1 367 . 1 . 1 51 51 TYR CD1 C 13 133.611 0.117 . 1 . . . . A 51 TYR CD1 . 34523 1 368 . 1 . 1 51 51 TYR CD2 C 13 133.611 0.117 . 1 . . . . A 51 TYR CD2 . 34523 1 369 . 1 . 1 51 51 TYR CE1 C 13 118.37 0.064 . 1 . . . . A 51 TYR CE1 . 34523 1 370 . 1 . 1 51 51 TYR CE2 C 13 118.37 0.064 . 1 . . . . A 51 TYR CE2 . 34523 1 371 . 1 . 1 51 51 TYR N N 15 118.227 0.079 . 1 . . . . A 51 TYR N . 34523 1 372 . 1 . 1 52 52 HIS H H 1 8.23 0.005 . 1 . . . . A 52 HIS H . 34523 1 373 . 1 . 1 52 52 HIS HA H 1 4.64 0.003 . 1 . . . . A 52 HIS HA . 34523 1 374 . 1 . 1 52 52 HIS HB2 H 1 3.305 0.012 . 1 . . . . A 52 HIS HB2 . 34523 1 375 . 1 . 1 52 52 HIS CB C 13 28.982 0.051 . 1 . . . . A 52 HIS CB . 34523 1 376 . 1 . 1 52 52 HIS N N 15 118.366 0.087 . 1 . . . . A 52 HIS N . 34523 1 377 . 1 . 1 53 53 LYS H H 1 8.234 0.003 . 1 . . . . A 53 LYS H . 34523 1 378 . 1 . 1 53 53 LYS HA H 1 4.188 0.006 . 1 . . . . A 53 LYS HA . 34523 1 379 . 1 . 1 53 53 LYS HB2 H 1 1.961 0.009 . 1 . . . . A 53 LYS HB2 . 34523 1 380 . 1 . 1 53 53 LYS HG2 H 1 1.466 0.017 . 2 . . . . A 53 LYS HG2 . 34523 1 381 . 1 . 1 53 53 LYS HG3 H 1 1.532 0.008 . 2 . . . . A 53 LYS HG3 . 34523 1 382 . 1 . 1 53 53 LYS HD2 H 1 1.721 0.008 . 2 . . . . A 53 LYS HD2 . 34523 1 383 . 1 . 1 53 53 LYS HD3 H 1 1.759 0.008 . 2 . . . . A 53 LYS HD3 . 34523 1 384 . 1 . 1 53 53 LYS HE2 H 1 3.047 0.016 . 1 . . . . A 53 LYS HE2 . 34523 1 385 . 1 . 1 53 53 LYS CA C 13 57.747 0.134 . 1 . . . . A 53 LYS CA . 34523 1 386 . 1 . 1 53 53 LYS CB C 13 32.696 0.02 . 1 . . . . A 53 LYS CB . 34523 1 387 . 1 . 1 53 53 LYS CG C 13 24.704 0.017 . 1 . . . . A 53 LYS CG . 34523 1 388 . 1 . 1 53 53 LYS CD C 13 29.217 0.021 . 1 . . . . A 53 LYS CD . 34523 1 389 . 1 . 1 53 53 LYS CE C 13 42.137 0.06 . 1 . . . . A 53 LYS CE . 34523 1 390 . 1 . 1 53 53 LYS N N 15 121.193 0.092 . 1 . . . . A 53 LYS N . 34523 1 391 . 1 . 1 54 54 MET H H 1 8.158 0.008 . 1 . . . . A 54 MET H . 34523 1 392 . 1 . 1 54 54 MET HA H 1 4.409 0.003 . 1 . . . . A 54 MET HA . 34523 1 393 . 1 . 1 54 54 MET HB2 H 1 2.574 0.007 . 2 . . . . A 54 MET HB2 . 34523 1 394 . 1 . 1 54 54 MET HB3 H 1 2.653 0.004 . 2 . . . . A 54 MET HB3 . 34523 1 395 . 1 . 1 54 54 MET CA C 13 56.44 0.019 . 1 . . . . A 54 MET CA . 34523 1 396 . 1 . 1 54 54 MET CB C 13 31.932 0.078 . 1 . . . . A 54 MET CB . 34523 1 397 . 1 . 1 54 54 MET N N 15 117.425 0.068 . 1 . . . . A 54 MET N . 34523 1 398 . 1 . 1 55 55 ASN H H 1 8.294 0.007 . 1 . . . . A 55 ASN H . 34523 1 399 . 1 . 1 55 55 ASN HA H 1 4.786 0.016 . 1 . . . . A 55 ASN HA . 34523 1 400 . 1 . 1 55 55 ASN HB2 H 1 2.714 0.004 . 2 . . . . A 55 ASN HB2 . 34523 1 401 . 1 . 1 55 55 ASN HB3 H 1 2.521 0.004 . 2 . . . . A 55 ASN HB3 . 34523 1 402 . 1 . 1 55 55 ASN HD21 H 1 6.856 0.007 . 1 . . . . A 55 ASN HD21 . 34523 1 403 . 1 . 1 55 55 ASN HD22 H 1 6.513 0.004 . 1 . . . . A 55 ASN HD22 . 34523 1 404 . 1 . 1 55 55 ASN CA C 13 53.555 0 . 1 . . . . A 55 ASN CA . 34523 1 405 . 1 . 1 55 55 ASN CB C 13 39.812 0.042 . 1 . . . . A 55 ASN CB . 34523 1 406 . 1 . 1 55 55 ASN N N 15 115.785 0.043 . 1 . . . . A 55 ASN N . 34523 1 407 . 1 . 1 55 55 ASN ND2 N 15 112.764 0.036 . 1 . . . . A 55 ASN ND2 . 34523 1 408 . 1 . 1 56 56 GLY H H 1 8.419 0.011 . 1 . . . . A 56 GLY H . 34523 1 409 . 1 . 1 56 56 GLY HA2 H 1 3.723 0.013 . 2 . . . . A 56 GLY HA2 . 34523 1 410 . 1 . 1 56 56 GLY HA3 H 1 3.977 0.01 . 2 . . . . A 56 GLY HA3 . 34523 1 411 . 1 . 1 56 56 GLY CA C 13 45.757 0.041 . 1 . . . . A 56 GLY CA . 34523 1 412 . 1 . 1 56 56 GLY N N 15 108.869 0.098 . 1 . . . . A 56 GLY N . 34523 1 413 . 1 . 1 57 57 GLN H H 1 7.643 0.008 . 1 . . . . A 57 GLN H . 34523 1 414 . 1 . 1 57 57 GLN HA H 1 4.513 0.021 . 1 . . . . A 57 GLN HA . 34523 1 415 . 1 . 1 57 57 GLN HB2 H 1 1.951 0.004 . 2 . . . . A 57 GLN HB2 . 34523 1 416 . 1 . 1 57 57 GLN HB3 H 1 2.269 0.004 . 2 . . . . A 57 GLN HB3 . 34523 1 417 . 1 . 1 57 57 GLN HG2 H 1 2.394 0.006 . 1 . . . . A 57 GLN HG2 . 34523 1 418 . 1 . 1 57 57 GLN HE21 H 1 8.706 0.005 . 1 . . . . A 57 GLN HE21 . 34523 1 419 . 1 . 1 57 57 GLN HE22 H 1 7.381 0.013 . 1 . . . . A 57 GLN HE22 . 34523 1 420 . 1 . 1 57 57 GLN CA C 13 54.507 0.03 . 1 . . . . A 57 GLN CA . 34523 1 421 . 1 . 1 57 57 GLN CB C 13 31.024 0.015 . 1 . . . . A 57 GLN CB . 34523 1 422 . 1 . 1 57 57 GLN CG C 13 33.507 0.034 . 1 . . . . A 57 GLN CG . 34523 1 423 . 1 . 1 57 57 GLN N N 15 116.391 0.055 . 1 . . . . A 57 GLN N . 34523 1 424 . 1 . 1 57 57 GLN NE2 N 15 117.401 0.075 . 1 . . . . A 57 GLN NE2 . 34523 1 425 . 1 . 1 58 58 ASN H H 1 8.619 0.005 . 1 . . . . A 58 ASN H . 34523 1 426 . 1 . 1 58 58 ASN HA H 1 4.849 0.018 . 1 . . . . A 58 ASN HA . 34523 1 427 . 1 . 1 58 58 ASN HB2 H 1 2.801 0.007 . 2 . . . . A 58 ASN HB2 . 34523 1 428 . 1 . 1 58 58 ASN HB3 H 1 2.74 0.007 . 2 . . . . A 58 ASN HB3 . 34523 1 429 . 1 . 1 58 58 ASN HD21 H 1 6.992 0.014 . 1 . . . . A 58 ASN HD21 . 34523 1 430 . 1 . 1 58 58 ASN HD22 H 1 7.683 0.013 . 1 . . . . A 58 ASN HD22 . 34523 1 431 . 1 . 1 58 58 ASN CA C 13 52.95 0.137 . 1 . . . . A 58 ASN CA . 34523 1 432 . 1 . 1 58 58 ASN CB C 13 38.827 0.013 . 1 . . . . A 58 ASN CB . 34523 1 433 . 1 . 1 58 58 ASN N N 15 118.055 0.057 . 1 . . . . A 58 ASN N . 34523 1 434 . 1 . 1 58 58 ASN ND2 N 15 113.232 0.066 . 1 . . . . A 58 ASN ND2 . 34523 1 435 . 1 . 1 60 60 PRO HA H 1 4.412 0.005 . 1 . . . . A 60 PRO HA . 34523 1 436 . 1 . 1 60 60 PRO HB2 H 1 1.866 0.009 . 2 . . . . A 60 PRO HB2 . 34523 1 437 . 1 . 1 60 60 PRO HB3 H 1 2.283 0.003 . 2 . . . . A 60 PRO HB3 . 34523 1 438 . 1 . 1 60 60 PRO HG2 H 1 1.678 0.013 . 2 . . . . A 60 PRO HG2 . 34523 1 439 . 1 . 1 60 60 PRO HG3 H 1 2.014 0.002 . 2 . . . . A 60 PRO HG3 . 34523 1 440 . 1 . 1 60 60 PRO HD2 H 1 3.753 0.003 . 2 . . . . A 60 PRO HD2 . 34523 1 441 . 1 . 1 60 60 PRO HD3 H 1 3.36 0.007 . 2 . . . . A 60 PRO HD3 . 34523 1 442 . 1 . 1 60 60 PRO CA C 13 62.76 0.058 . 1 . . . . A 60 PRO CA . 34523 1 443 . 1 . 1 60 60 PRO CB C 13 32.128 0.017 . 1 . . . . A 60 PRO CB . 34523 1 444 . 1 . 1 60 60 PRO CG C 13 26.942 0.048 . 1 . . . . A 60 PRO CG . 34523 1 445 . 1 . 1 60 60 PRO CD C 13 51.122 0.035 . 1 . . . . A 60 PRO CD . 34523 1 446 . 1 . 1 61 61 LEU H H 1 8.372 0.009 . 1 . . . . A 61 LEU H . 34523 1 447 . 1 . 1 61 61 LEU HA H 1 4.4 0.011 . 1 . . . . A 61 LEU HA . 34523 1 448 . 1 . 1 61 61 LEU CA C 13 54.612 0.058 . 1 . . . . A 61 LEU CA . 34523 1 449 . 1 . 1 61 61 LEU N N 15 122.396 0.082 . 1 . . . . A 61 LEU N . 34523 1 450 . 1 . 1 62 62 ILE H H 1 8.071 0.005 . 1 . . . . A 62 ILE H . 34523 1 451 . 1 . 1 62 62 ILE HA H 1 4.212 0.009 . 1 . . . . A 62 ILE HA . 34523 1 452 . 1 . 1 62 62 ILE HB H 1 1.895 0.006 . 1 . . . . A 62 ILE HB . 34523 1 453 . 1 . 1 62 62 ILE HG21 H 1 0.929 0.009 . 1 . . . . A 62 ILE HG21 . 34523 1 454 . 1 . 1 62 62 ILE HG22 H 1 0.929 0.009 . 1 . . . . A 62 ILE HG22 . 34523 1 455 . 1 . 1 62 62 ILE HG23 H 1 0.929 0.009 . 1 . . . . A 62 ILE HG23 . 34523 1 456 . 1 . 1 62 62 ILE HD11 H 1 0.856 0.016 . 1 . . . . A 62 ILE HD11 . 34523 1 457 . 1 . 1 62 62 ILE HD12 H 1 0.856 0.016 . 1 . . . . A 62 ILE HD12 . 34523 1 458 . 1 . 1 62 62 ILE HD13 H 1 0.856 0.016 . 1 . . . . A 62 ILE HD13 . 34523 1 459 . 1 . 1 62 62 ILE CA C 13 60.833 0.013 . 1 . . . . A 62 ILE CA . 34523 1 460 . 1 . 1 62 62 ILE CB C 13 38.665 0.021 . 1 . . . . A 62 ILE CB . 34523 1 461 . 1 . 1 62 62 ILE CG2 C 13 17.441 0.006 . 1 . . . . A 62 ILE CG2 . 34523 1 462 . 1 . 1 62 62 ILE CD1 C 13 12.653 0.029 . 1 . . . . A 62 ILE CD1 . 34523 1 463 . 1 . 1 62 62 ILE N N 15 122.109 0.068 . 1 . . . . A 62 ILE N . 34523 1 464 . 1 . 1 63 63 LYS H H 1 7.996 0.005 . 1 . . . . A 63 LYS H . 34523 1 465 . 1 . 1 63 63 LYS HA H 1 4.198 0.005 . 1 . . . . A 63 LYS HA . 34523 1 466 . 1 . 1 63 63 LYS HB2 H 1 1.739 0.005 . 2 . . . . A 63 LYS HB2 . 34523 1 467 . 1 . 1 63 63 LYS HB3 H 1 1.833 0.006 . 2 . . . . A 63 LYS HB3 . 34523 1 468 . 1 . 1 63 63 LYS HG2 H 1 1.405 0.006 . 1 . . . . A 63 LYS HG2 . 34523 1 469 . 1 . 1 63 63 LYS HE2 H 1 3.025 0.007 . 1 . . . . A 63 LYS HE2 . 34523 1 470 . 1 . 1 63 63 LYS CA C 13 57.683 0.037 . 1 . . . . A 63 LYS CA . 34523 1 471 . 1 . 1 63 63 LYS CB C 13 33.777 0.013 . 1 . . . . A 63 LYS CB . 34523 1 472 . 1 . 1 63 63 LYS CG C 13 24.692 0.056 . 1 . . . . A 63 LYS CG . 34523 1 473 . 1 . 1 63 63 LYS CE C 13 42.174 0.023 . 1 . . . . A 63 LYS CE . 34523 1 474 . 1 . 1 63 63 LYS N N 15 130.508 0.025 . 1 . . . . A 63 LYS N . 34523 1 stop_ save_