################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11323 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 15N-separated NOESY' 1 $sample_1 isotropic 11323 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11323 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11323 1 2 $NMRPipe . . 11323 1 3 $NMRView . . 11323 1 4 $Kujira . . 11323 1 5 $CYANA . . 11323 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.494 0.030 . 1 . . . . 6 SER HA . 11323 1 2 . 1 1 6 6 SER HB2 H 1 3.912 0.030 . 1 . . . . 6 SER HB2 . 11323 1 3 . 1 1 6 6 SER HB3 H 1 3.912 0.030 . 1 . . . . 6 SER HB3 . 11323 1 4 . 1 1 6 6 SER C C 13 175.085 0.300 . 1 . . . . 6 SER C . 11323 1 5 . 1 1 6 6 SER CA C 13 58.934 0.300 . 1 . . . . 6 SER CA . 11323 1 6 . 1 1 6 6 SER CB C 13 63.889 0.300 . 1 . . . . 6 SER CB . 11323 1 7 . 1 1 7 7 GLY H H 1 8.453 0.030 . 1 . . . . 7 GLY H . 11323 1 8 . 1 1 7 7 GLY HA2 H 1 3.985 0.030 . 1 . . . . 7 GLY HA2 . 11323 1 9 . 1 1 7 7 GLY HA3 H 1 3.985 0.030 . 1 . . . . 7 GLY HA3 . 11323 1 10 . 1 1 7 7 GLY C C 13 174.285 0.300 . 1 . . . . 7 GLY C . 11323 1 11 . 1 1 7 7 GLY CA C 13 45.445 0.300 . 1 . . . . 7 GLY CA . 11323 1 12 . 1 1 7 7 GLY N N 15 110.820 0.300 . 1 . . . . 7 GLY N . 11323 1 13 . 1 1 8 8 LEU H H 1 8.101 0.030 . 1 . . . . 8 LEU H . 11323 1 14 . 1 1 8 8 LEU HA H 1 4.352 0.030 . 1 . . . . 8 LEU HA . 11323 1 15 . 1 1 8 8 LEU HB2 H 1 1.605 0.030 . 1 . . . . 8 LEU HB2 . 11323 1 16 . 1 1 8 8 LEU HB3 H 1 1.605 0.030 . 1 . . . . 8 LEU HB3 . 11323 1 17 . 1 1 8 8 LEU HD11 H 1 0.928 0.030 . 1 . . . . 8 LEU HD1 . 11323 1 18 . 1 1 8 8 LEU HD12 H 1 0.928 0.030 . 1 . . . . 8 LEU HD1 . 11323 1 19 . 1 1 8 8 LEU HD13 H 1 0.928 0.030 . 1 . . . . 8 LEU HD1 . 11323 1 20 . 1 1 8 8 LEU HD21 H 1 0.862 0.030 . 1 . . . . 8 LEU HD2 . 11323 1 21 . 1 1 8 8 LEU HD22 H 1 0.862 0.030 . 1 . . . . 8 LEU HD2 . 11323 1 22 . 1 1 8 8 LEU HD23 H 1 0.862 0.030 . 1 . . . . 8 LEU HD2 . 11323 1 23 . 1 1 8 8 LEU HG H 1 1.587 0.030 . 1 . . . . 8 LEU HG . 11323 1 24 . 1 1 8 8 LEU C C 13 177.569 0.300 . 1 . . . . 8 LEU C . 11323 1 25 . 1 1 8 8 LEU CA C 13 55.159 0.300 . 1 . . . . 8 LEU CA . 11323 1 26 . 1 1 8 8 LEU CB C 13 42.425 0.300 . 1 . . . . 8 LEU CB . 11323 1 27 . 1 1 8 8 LEU CD1 C 13 24.957 0.300 . 2 . . . . 8 LEU CD1 . 11323 1 28 . 1 1 8 8 LEU CD2 C 13 23.304 0.300 . 2 . . . . 8 LEU CD2 . 11323 1 29 . 1 1 8 8 LEU CG C 13 27.081 0.300 . 1 . . . . 8 LEU CG . 11323 1 30 . 1 1 8 8 LEU N N 15 121.539 0.300 . 1 . . . . 8 LEU N . 11323 1 31 . 1 1 9 9 GLU H H 1 8.444 0.030 . 1 . . . . 9 GLU H . 11323 1 32 . 1 1 9 9 GLU HA H 1 4.240 0.030 . 1 . . . . 9 GLU HA . 11323 1 33 . 1 1 9 9 GLU HB2 H 1 2.036 0.030 . 2 . . . . 9 GLU HB2 . 11323 1 34 . 1 1 9 9 GLU HB3 H 1 1.932 0.030 . 2 . . . . 9 GLU HB3 . 11323 1 35 . 1 1 9 9 GLU HG2 H 1 2.271 0.030 . 1 . . . . 9 GLU HG2 . 11323 1 36 . 1 1 9 9 GLU HG3 H 1 2.271 0.030 . 1 . . . . 9 GLU HG3 . 11323 1 37 . 1 1 9 9 GLU C C 13 176.188 0.300 . 1 . . . . 9 GLU C . 11323 1 38 . 1 1 9 9 GLU CA C 13 56.685 0.300 . 1 . . . . 9 GLU CA . 11323 1 39 . 1 1 9 9 GLU CB C 13 30.145 0.300 . 1 . . . . 9 GLU CB . 11323 1 40 . 1 1 9 9 GLU CG C 13 36.279 0.300 . 1 . . . . 9 GLU CG . 11323 1 41 . 1 1 9 9 GLU N N 15 121.425 0.300 . 1 . . . . 9 GLU N . 11323 1 42 . 1 1 10 10 ALA H H 1 8.233 0.030 . 1 . . . . 10 ALA H . 11323 1 43 . 1 1 10 10 ALA HA H 1 4.326 0.030 . 1 . . . . 10 ALA HA . 11323 1 44 . 1 1 10 10 ALA HB1 H 1 1.363 0.030 . 1 . . . . 10 ALA HB . 11323 1 45 . 1 1 10 10 ALA HB2 H 1 1.363 0.030 . 1 . . . . 10 ALA HB . 11323 1 46 . 1 1 10 10 ALA HB3 H 1 1.363 0.030 . 1 . . . . 10 ALA HB . 11323 1 47 . 1 1 10 10 ALA C C 13 177.472 0.300 . 1 . . . . 10 ALA C . 11323 1 48 . 1 1 10 10 ALA CA C 13 52.404 0.300 . 1 . . . . 10 ALA CA . 11323 1 49 . 1 1 10 10 ALA CB C 13 19.189 0.300 . 1 . . . . 10 ALA CB . 11323 1 50 . 1 1 10 10 ALA N N 15 125.090 0.300 . 1 . . . . 10 ALA N . 11323 1 51 . 1 1 11 11 VAL H H 1 8.034 0.030 . 1 . . . . 11 VAL H . 11323 1 52 . 1 1 11 11 VAL HA H 1 4.080 0.030 . 1 . . . . 11 VAL HA . 11323 1 53 . 1 1 11 11 VAL HB H 1 2.039 0.030 . 1 . . . . 11 VAL HB . 11323 1 54 . 1 1 11 11 VAL HG11 H 1 0.918 0.030 . 1 . . . . 11 VAL HG1 . 11323 1 55 . 1 1 11 11 VAL HG12 H 1 0.918 0.030 . 1 . . . . 11 VAL HG1 . 11323 1 56 . 1 1 11 11 VAL HG13 H 1 0.918 0.030 . 1 . . . . 11 VAL HG1 . 11323 1 57 . 1 1 11 11 VAL HG21 H 1 0.925 0.030 . 1 . . . . 11 VAL HG2 . 11323 1 58 . 1 1 11 11 VAL HG22 H 1 0.925 0.030 . 1 . . . . 11 VAL HG2 . 11323 1 59 . 1 1 11 11 VAL HG23 H 1 0.925 0.030 . 1 . . . . 11 VAL HG2 . 11323 1 60 . 1 1 11 11 VAL C C 13 175.655 0.300 . 1 . . . . 11 VAL C . 11323 1 61 . 1 1 11 11 VAL CA C 13 62.004 0.300 . 1 . . . . 11 VAL CA . 11323 1 62 . 1 1 11 11 VAL CB C 13 32.981 0.300 . 1 . . . . 11 VAL CB . 11323 1 63 . 1 1 11 11 VAL CG1 C 13 21.156 0.300 . 2 . . . . 11 VAL CG1 . 11323 1 64 . 1 1 11 11 VAL CG2 C 13 20.476 0.300 . 2 . . . . 11 VAL CG2 . 11323 1 65 . 1 1 11 11 VAL N N 15 119.627 0.300 . 1 . . . . 11 VAL N . 11323 1 66 . 1 1 12 12 ALA H H 1 8.391 0.030 . 1 . . . . 12 ALA H . 11323 1 67 . 1 1 12 12 ALA HA H 1 4.593 0.030 . 1 . . . . 12 ALA HA . 11323 1 68 . 1 1 12 12 ALA HB1 H 1 1.343 0.030 . 1 . . . . 12 ALA HB . 11323 1 69 . 1 1 12 12 ALA HB2 H 1 1.343 0.030 . 1 . . . . 12 ALA HB . 11323 1 70 . 1 1 12 12 ALA HB3 H 1 1.343 0.030 . 1 . . . . 12 ALA HB . 11323 1 71 . 1 1 12 12 ALA C C 13 175.497 0.300 . 1 . . . . 12 ALA C . 11323 1 72 . 1 1 12 12 ALA CA C 13 50.367 0.300 . 1 . . . . 12 ALA CA . 11323 1 73 . 1 1 12 12 ALA CB C 13 18.294 0.300 . 1 . . . . 12 ALA CB . 11323 1 74 . 1 1 12 12 ALA N N 15 129.591 0.300 . 1 . . . . 12 ALA N . 11323 1 75 . 1 1 13 13 PRO HA H 1 4.374 0.030 . 1 . . . . 13 PRO HA . 11323 1 76 . 1 1 13 13 PRO HB2 H 1 2.244 0.030 . 2 . . . . 13 PRO HB2 . 11323 1 77 . 1 1 13 13 PRO HB3 H 1 1.831 0.030 . 2 . . . . 13 PRO HB3 . 11323 1 78 . 1 1 13 13 PRO HD2 H 1 3.632 0.030 . 2 . . . . 13 PRO HD2 . 11323 1 79 . 1 1 13 13 PRO HD3 H 1 3.788 0.030 . 2 . . . . 13 PRO HD3 . 11323 1 80 . 1 1 13 13 PRO HG2 H 1 1.972 0.030 . 1 . . . . 13 PRO HG2 . 11323 1 81 . 1 1 13 13 PRO HG3 H 1 1.972 0.030 . 1 . . . . 13 PRO HG3 . 11323 1 82 . 1 1 13 13 PRO C C 13 176.806 0.300 . 1 . . . . 13 PRO C . 11323 1 83 . 1 1 13 13 PRO CA C 13 63.015 0.300 . 1 . . . . 13 PRO CA . 11323 1 84 . 1 1 13 13 PRO CB C 13 32.084 0.300 . 1 . . . . 13 PRO CB . 11323 1 85 . 1 1 13 13 PRO CD C 13 50.508 0.300 . 1 . . . . 13 PRO CD . 11323 1 86 . 1 1 13 13 PRO CG C 13 27.314 0.300 . 1 . . . . 13 PRO CG . 11323 1 87 . 1 1 14 14 GLU H H 1 8.395 0.030 . 1 . . . . 14 GLU H . 11323 1 88 . 1 1 14 14 GLU HA H 1 4.158 0.030 . 1 . . . . 14 GLU HA . 11323 1 89 . 1 1 14 14 GLU HB2 H 1 1.860 0.030 . 2 . . . . 14 GLU HB2 . 11323 1 90 . 1 1 14 14 GLU HB3 H 1 1.909 0.030 . 2 . . . . 14 GLU HB3 . 11323 1 91 . 1 1 14 14 GLU HG2 H 1 2.177 0.030 . 2 . . . . 14 GLU HG2 . 11323 1 92 . 1 1 14 14 GLU HG3 H 1 2.236 0.030 . 2 . . . . 14 GLU HG3 . 11323 1 93 . 1 1 14 14 GLU C C 13 176.333 0.300 . 1 . . . . 14 GLU C . 11323 1 94 . 1 1 14 14 GLU CA C 13 56.452 0.300 . 1 . . . . 14 GLU CA . 11323 1 95 . 1 1 14 14 GLU CB C 13 30.386 0.300 . 1 . . . . 14 GLU CB . 11323 1 96 . 1 1 14 14 GLU CG C 13 36.218 0.300 . 1 . . . . 14 GLU CG . 11323 1 97 . 1 1 14 14 GLU N N 15 121.004 0.300 . 1 . . . . 14 GLU N . 11323 1 98 . 1 1 15 15 ARG H H 1 8.255 0.030 . 1 . . . . 15 ARG H . 11323 1 99 . 1 1 15 15 ARG HA H 1 4.372 0.030 . 1 . . . . 15 ARG HA . 11323 1 100 . 1 1 15 15 ARG HB2 H 1 1.546 0.030 . 2 . . . . 15 ARG HB2 . 11323 1 101 . 1 1 15 15 ARG HB3 H 1 1.697 0.030 . 2 . . . . 15 ARG HB3 . 11323 1 102 . 1 1 15 15 ARG HD2 H 1 3.094 0.030 . 1 . . . . 15 ARG HD2 . 11323 1 103 . 1 1 15 15 ARG HD3 H 1 3.094 0.030 . 1 . . . . 15 ARG HD3 . 11323 1 104 . 1 1 15 15 ARG HG2 H 1 1.534 0.030 . 2 . . . . 15 ARG HG2 . 11323 1 105 . 1 1 15 15 ARG HG3 H 1 1.590 0.030 . 2 . . . . 15 ARG HG3 . 11323 1 106 . 1 1 15 15 ARG C C 13 173.704 0.300 . 1 . . . . 15 ARG C . 11323 1 107 . 1 1 15 15 ARG CA C 13 53.743 0.300 . 1 . . . . 15 ARG CA . 11323 1 108 . 1 1 15 15 ARG CB C 13 29.653 0.300 . 1 . . . . 15 ARG CB . 11323 1 109 . 1 1 15 15 ARG CD C 13 43.084 0.300 . 1 . . . . 15 ARG CD . 11323 1 110 . 1 1 15 15 ARG CG C 13 26.847 0.300 . 1 . . . . 15 ARG CG . 11323 1 111 . 1 1 15 15 ARG N N 15 123.248 0.300 . 1 . . . . 15 ARG N . 11323 1 112 . 1 1 16 16 PRO HA H 1 3.878 0.030 . 1 . . . . 16 PRO HA . 11323 1 113 . 1 1 16 16 PRO HB2 H 1 0.644 0.030 . 2 . . . . 16 PRO HB2 . 11323 1 114 . 1 1 16 16 PRO HB3 H 1 0.795 0.030 . 2 . . . . 16 PRO HB3 . 11323 1 115 . 1 1 16 16 PRO HD2 H 1 3.089 0.030 . 2 . . . . 16 PRO HD2 . 11323 1 116 . 1 1 16 16 PRO HD3 H 1 3.284 0.030 . 2 . . . . 16 PRO HD3 . 11323 1 117 . 1 1 16 16 PRO HG2 H 1 0.555 0.030 . 2 . . . . 16 PRO HG2 . 11323 1 118 . 1 1 16 16 PRO HG3 H 1 0.636 0.030 . 2 . . . . 16 PRO HG3 . 11323 1 119 . 1 1 16 16 PRO C C 13 175.328 0.300 . 1 . . . . 16 PRO C . 11323 1 120 . 1 1 16 16 PRO CA C 13 62.768 0.300 . 1 . . . . 16 PRO CA . 11323 1 121 . 1 1 16 16 PRO CB C 13 31.093 0.300 . 1 . . . . 16 PRO CB . 11323 1 122 . 1 1 16 16 PRO CD C 13 50.179 0.300 . 1 . . . . 16 PRO CD . 11323 1 123 . 1 1 16 16 PRO CG C 13 26.375 0.300 . 1 . . . . 16 PRO CG . 11323 1 124 . 1 1 17 17 ARG H H 1 8.107 0.030 . 1 . . . . 17 ARG H . 11323 1 125 . 1 1 17 17 ARG HA H 1 4.505 0.030 . 1 . . . . 17 ARG HA . 11323 1 126 . 1 1 17 17 ARG HB2 H 1 1.449 0.030 . 2 . . . . 17 ARG HB2 . 11323 1 127 . 1 1 17 17 ARG HB3 H 1 1.520 0.030 . 2 . . . . 17 ARG HB3 . 11323 1 128 . 1 1 17 17 ARG HD2 H 1 3.020 0.030 . 2 . . . . 17 ARG HD2 . 11323 1 129 . 1 1 17 17 ARG HD3 H 1 3.088 0.030 . 2 . . . . 17 ARG HD3 . 11323 1 130 . 1 1 17 17 ARG HG2 H 1 1.586 0.030 . 2 . . . . 17 ARG HG2 . 11323 1 131 . 1 1 17 17 ARG HG3 H 1 1.445 0.030 . 2 . . . . 17 ARG HG3 . 11323 1 132 . 1 1 17 17 ARG C C 13 174.758 0.300 . 1 . . . . 17 ARG C . 11323 1 133 . 1 1 17 17 ARG CA C 13 53.020 0.300 . 1 . . . . 17 ARG CA . 11323 1 134 . 1 1 17 17 ARG CB C 13 32.561 0.300 . 1 . . . . 17 ARG CB . 11323 1 135 . 1 1 17 17 ARG CD C 13 42.694 0.300 . 1 . . . . 17 ARG CD . 11323 1 136 . 1 1 17 17 ARG CG C 13 26.902 0.300 . 1 . . . . 17 ARG CG . 11323 1 137 . 1 1 17 17 ARG N N 15 118.936 0.300 . 1 . . . . 17 ARG N . 11323 1 138 . 1 1 18 18 CYS H H 1 9.487 0.030 . 1 . . . . 18 CYS H . 11323 1 139 . 1 1 18 18 CYS HA H 1 3.843 0.030 . 1 . . . . 18 CYS HA . 11323 1 140 . 1 1 18 18 CYS HB2 H 1 3.393 0.030 . 2 . . . . 18 CYS HB2 . 11323 1 141 . 1 1 18 18 CYS HB3 H 1 2.735 0.030 . 2 . . . . 18 CYS HB3 . 11323 1 142 . 1 1 18 18 CYS C C 13 177.739 0.300 . 1 . . . . 18 CYS C . 11323 1 143 . 1 1 18 18 CYS CA C 13 59.150 0.300 . 1 . . . . 18 CYS CA . 11323 1 144 . 1 1 18 18 CYS CB C 13 30.457 0.300 . 1 . . . . 18 CYS CB . 11323 1 145 . 1 1 18 18 CYS N N 15 122.584 0.300 . 1 . . . . 18 CYS N . 11323 1 146 . 1 1 19 19 ALA H H 1 8.934 0.030 . 1 . . . . 19 ALA H . 11323 1 147 . 1 1 19 19 ALA HA H 1 3.938 0.030 . 1 . . . . 19 ALA HA . 11323 1 148 . 1 1 19 19 ALA HB1 H 1 1.060 0.030 . 1 . . . . 19 ALA HB . 11323 1 149 . 1 1 19 19 ALA HB2 H 1 1.060 0.030 . 1 . . . . 19 ALA HB . 11323 1 150 . 1 1 19 19 ALA HB3 H 1 1.060 0.030 . 1 . . . . 19 ALA HB . 11323 1 151 . 1 1 19 19 ALA C C 13 177.097 0.300 . 1 . . . . 19 ALA C . 11323 1 152 . 1 1 19 19 ALA CA C 13 54.465 0.300 . 1 . . . . 19 ALA CA . 11323 1 153 . 1 1 19 19 ALA CB C 13 18.654 0.300 . 1 . . . . 19 ALA CB . 11323 1 154 . 1 1 19 19 ALA N N 15 133.706 0.300 . 1 . . . . 19 ALA N . 11323 1 155 . 1 1 20 20 TYR H H 1 8.781 0.030 . 1 . . . . 20 TYR H . 11323 1 156 . 1 1 20 20 TYR HA H 1 4.491 0.030 . 1 . . . . 20 TYR HA . 11323 1 157 . 1 1 20 20 TYR HB2 H 1 3.599 0.030 . 2 . . . . 20 TYR HB2 . 11323 1 158 . 1 1 20 20 TYR HB3 H 1 2.954 0.030 . 2 . . . . 20 TYR HB3 . 11323 1 159 . 1 1 20 20 TYR HD1 H 1 7.597 0.030 . 1 . . . . 20 TYR HD1 . 11323 1 160 . 1 1 20 20 TYR HD2 H 1 7.597 0.030 . 1 . . . . 20 TYR HD2 . 11323 1 161 . 1 1 20 20 TYR HE1 H 1 6.908 0.030 . 1 . . . . 20 TYR HE1 . 11323 1 162 . 1 1 20 20 TYR HE2 H 1 6.908 0.030 . 1 . . . . 20 TYR HE2 . 11323 1 163 . 1 1 20 20 TYR C C 13 176.685 0.300 . 1 . . . . 20 TYR C . 11323 1 164 . 1 1 20 20 TYR CA C 13 61.057 0.300 . 1 . . . . 20 TYR CA . 11323 1 165 . 1 1 20 20 TYR CB C 13 40.145 0.300 . 1 . . . . 20 TYR CB . 11323 1 166 . 1 1 20 20 TYR CD1 C 13 133.182 0.300 . 1 . . . . 20 TYR CD1 . 11323 1 167 . 1 1 20 20 TYR CD2 C 13 133.182 0.300 . 1 . . . . 20 TYR CD2 . 11323 1 168 . 1 1 20 20 TYR CE1 C 13 118.643 0.300 . 1 . . . . 20 TYR CE1 . 11323 1 169 . 1 1 20 20 TYR CE2 C 13 118.643 0.300 . 1 . . . . 20 TYR CE2 . 11323 1 170 . 1 1 20 20 TYR N N 15 117.170 0.300 . 1 . . . . 20 TYR N . 11323 1 171 . 1 1 21 21 CYS H H 1 8.238 0.030 . 1 . . . . 21 CYS H . 11323 1 172 . 1 1 21 21 CYS HA H 1 4.885 0.030 . 1 . . . . 21 CYS HA . 11323 1 173 . 1 1 21 21 CYS HB2 H 1 3.322 0.030 . 2 . . . . 21 CYS HB2 . 11323 1 174 . 1 1 21 21 CYS HB3 H 1 2.866 0.030 . 2 . . . . 21 CYS HB3 . 11323 1 175 . 1 1 21 21 CYS C C 13 177.024 0.300 . 1 . . . . 21 CYS C . 11323 1 176 . 1 1 21 21 CYS CA C 13 59.486 0.300 . 1 . . . . 21 CYS CA . 11323 1 177 . 1 1 21 21 CYS CB C 13 33.360 0.300 . 1 . . . . 21 CYS CB . 11323 1 178 . 1 1 21 21 CYS N N 15 117.678 0.300 . 1 . . . . 21 CYS N . 11323 1 179 . 1 1 22 22 SER H H 1 8.062 0.030 . 1 . . . . 22 SER H . 11323 1 180 . 1 1 22 22 SER HA H 1 4.210 0.030 . 1 . . . . 22 SER HA . 11323 1 181 . 1 1 22 22 SER HB2 H 1 4.242 0.030 . 2 . . . . 22 SER HB2 . 11323 1 182 . 1 1 22 22 SER HB3 H 1 4.051 0.030 . 2 . . . . 22 SER HB3 . 11323 1 183 . 1 1 22 22 SER C C 13 172.540 0.300 . 1 . . . . 22 SER C . 11323 1 184 . 1 1 22 22 SER CA C 13 62.075 0.300 . 1 . . . . 22 SER CA . 11323 1 185 . 1 1 22 22 SER CB C 13 62.946 0.300 . 1 . . . . 22 SER CB . 11323 1 186 . 1 1 22 22 SER N N 15 116.209 0.300 . 1 . . . . 22 SER N . 11323 1 187 . 1 1 23 23 ALA H H 1 9.000 0.030 . 1 . . . . 23 ALA H . 11323 1 188 . 1 1 23 23 ALA HA H 1 4.423 0.030 . 1 . . . . 23 ALA HA . 11323 1 189 . 1 1 23 23 ALA HB1 H 1 1.598 0.030 . 1 . . . . 23 ALA HB . 11323 1 190 . 1 1 23 23 ALA HB2 H 1 1.598 0.030 . 1 . . . . 23 ALA HB . 11323 1 191 . 1 1 23 23 ALA HB3 H 1 1.598 0.030 . 1 . . . . 23 ALA HB . 11323 1 192 . 1 1 23 23 ALA C C 13 176.951 0.300 . 1 . . . . 23 ALA C . 11323 1 193 . 1 1 23 23 ALA CA C 13 52.756 0.300 . 1 . . . . 23 ALA CA . 11323 1 194 . 1 1 23 23 ALA CB C 13 21.122 0.300 . 1 . . . . 23 ALA CB . 11323 1 195 . 1 1 23 23 ALA N N 15 126.801 0.300 . 1 . . . . 23 ALA N . 11323 1 196 . 1 1 24 24 GLU H H 1 8.586 0.030 . 1 . . . . 24 GLU H . 11323 1 197 . 1 1 24 24 GLU HA H 1 3.938 0.030 . 1 . . . . 24 GLU HA . 11323 1 198 . 1 1 24 24 GLU HB2 H 1 1.843 0.030 . 2 . . . . 24 GLU HB2 . 11323 1 199 . 1 1 24 24 GLU HB3 H 1 1.910 0.030 . 2 . . . . 24 GLU HB3 . 11323 1 200 . 1 1 24 24 GLU HG2 H 1 2.112 0.030 . 2 . . . . 24 GLU HG2 . 11323 1 201 . 1 1 24 24 GLU HG3 H 1 2.252 0.030 . 2 . . . . 24 GLU HG3 . 11323 1 202 . 1 1 24 24 GLU C C 13 176.030 0.300 . 1 . . . . 24 GLU C . 11323 1 203 . 1 1 24 24 GLU CA C 13 59.010 0.300 . 1 . . . . 24 GLU CA . 11323 1 204 . 1 1 24 24 GLU CB C 13 29.678 0.300 . 1 . . . . 24 GLU CB . 11323 1 205 . 1 1 24 24 GLU CG C 13 36.992 0.300 . 1 . . . . 24 GLU CG . 11323 1 206 . 1 1 24 24 GLU N N 15 120.208 0.300 . 1 . . . . 24 GLU N . 11323 1 207 . 1 1 25 25 ALA H H 1 8.029 0.030 . 1 . . . . 25 ALA H . 11323 1 208 . 1 1 25 25 ALA HA H 1 4.340 0.030 . 1 . . . . 25 ALA HA . 11323 1 209 . 1 1 25 25 ALA HB1 H 1 1.060 0.030 . 1 . . . . 25 ALA HB . 11323 1 210 . 1 1 25 25 ALA HB2 H 1 1.060 0.030 . 1 . . . . 25 ALA HB . 11323 1 211 . 1 1 25 25 ALA HB3 H 1 1.060 0.030 . 1 . . . . 25 ALA HB . 11323 1 212 . 1 1 25 25 ALA C C 13 176.249 0.300 . 1 . . . . 25 ALA C . 11323 1 213 . 1 1 25 25 ALA CA C 13 51.384 0.300 . 1 . . . . 25 ALA CA . 11323 1 214 . 1 1 25 25 ALA CB C 13 22.644 0.300 . 1 . . . . 25 ALA CB . 11323 1 215 . 1 1 25 25 ALA N N 15 124.975 0.300 . 1 . . . . 25 ALA N . 11323 1 216 . 1 1 26 26 SER H H 1 8.139 0.030 . 1 . . . . 26 SER H . 11323 1 217 . 1 1 26 26 SER HA H 1 4.778 0.030 . 1 . . . . 26 SER HA . 11323 1 218 . 1 1 26 26 SER HB2 H 1 4.079 0.030 . 2 . . . . 26 SER HB2 . 11323 1 219 . 1 1 26 26 SER HB3 H 1 3.867 0.030 . 2 . . . . 26 SER HB3 . 11323 1 220 . 1 1 26 26 SER C C 13 173.777 0.300 . 1 . . . . 26 SER C . 11323 1 221 . 1 1 26 26 SER CA C 13 58.340 0.300 . 1 . . . . 26 SER CA . 11323 1 222 . 1 1 26 26 SER CB C 13 65.560 0.300 . 1 . . . . 26 SER CB . 11323 1 223 . 1 1 26 26 SER N N 15 110.199 0.300 . 1 . . . . 26 SER N . 11323 1 224 . 1 1 27 27 LYS H H 1 8.421 0.030 . 1 . . . . 27 LYS H . 11323 1 225 . 1 1 27 27 LYS HA H 1 4.897 0.030 . 1 . . . . 27 LYS HA . 11323 1 226 . 1 1 27 27 LYS HB2 H 1 1.842 0.030 . 1 . . . . 27 LYS HB2 . 11323 1 227 . 1 1 27 27 LYS HB3 H 1 1.842 0.030 . 1 . . . . 27 LYS HB3 . 11323 1 228 . 1 1 27 27 LYS HD2 H 1 1.586 0.030 . 1 . . . . 27 LYS HD2 . 11323 1 229 . 1 1 27 27 LYS HD3 H 1 1.586 0.030 . 1 . . . . 27 LYS HD3 . 11323 1 230 . 1 1 27 27 LYS HE2 H 1 3.012 0.030 . 1 . . . . 27 LYS HE2 . 11323 1 231 . 1 1 27 27 LYS HE3 H 1 3.012 0.030 . 1 . . . . 27 LYS HE3 . 11323 1 232 . 1 1 27 27 LYS HG2 H 1 1.390 0.030 . 2 . . . . 27 LYS HG2 . 11323 1 233 . 1 1 27 27 LYS HG3 H 1 1.443 0.030 . 2 . . . . 27 LYS HG3 . 11323 1 234 . 1 1 27 27 LYS C C 13 174.201 0.300 . 1 . . . . 27 LYS C . 11323 1 235 . 1 1 27 27 LYS CA C 13 54.834 0.300 . 1 . . . . 27 LYS CA . 11323 1 236 . 1 1 27 27 LYS CB C 13 34.899 0.300 . 1 . . . . 27 LYS CB . 11323 1 237 . 1 1 27 27 LYS CD C 13 28.630 0.300 . 1 . . . . 27 LYS CD . 11323 1 238 . 1 1 27 27 LYS CE C 13 42.201 0.300 . 1 . . . . 27 LYS CE . 11323 1 239 . 1 1 27 27 LYS CG C 13 24.487 0.300 . 1 . . . . 27 LYS CG . 11323 1 240 . 1 1 27 27 LYS N N 15 122.344 0.300 . 1 . . . . 27 LYS N . 11323 1 241 . 1 1 28 28 ARG H H 1 8.323 0.030 . 1 . . . . 28 ARG H . 11323 1 242 . 1 1 28 28 ARG HA H 1 4.932 0.030 . 1 . . . . 28 ARG HA . 11323 1 243 . 1 1 28 28 ARG HB2 H 1 1.002 0.030 . 2 . . . . 28 ARG HB2 . 11323 1 244 . 1 1 28 28 ARG HB3 H 1 1.098 0.030 . 2 . . . . 28 ARG HB3 . 11323 1 245 . 1 1 28 28 ARG HD2 H 1 2.217 0.030 . 2 . . . . 28 ARG HD2 . 11323 1 246 . 1 1 28 28 ARG HD3 H 1 2.346 0.030 . 2 . . . . 28 ARG HD3 . 11323 1 247 . 1 1 28 28 ARG HG2 H 1 0.610 0.030 . 2 . . . . 28 ARG HG2 . 11323 1 248 . 1 1 28 28 ARG HG3 H 1 0.246 0.030 . 2 . . . . 28 ARG HG3 . 11323 1 249 . 1 1 28 28 ARG C C 13 177.412 0.300 . 1 . . . . 28 ARG C . 11323 1 250 . 1 1 28 28 ARG CA C 13 53.496 0.300 . 1 . . . . 28 ARG CA . 11323 1 251 . 1 1 28 28 ARG CB C 13 33.418 0.300 . 1 . . . . 28 ARG CB . 11323 1 252 . 1 1 28 28 ARG CD C 13 43.126 0.300 . 1 . . . . 28 ARG CD . 11323 1 253 . 1 1 28 28 ARG CG C 13 26.244 0.300 . 1 . . . . 28 ARG CG . 11323 1 254 . 1 1 28 28 ARG N N 15 120.459 0.300 . 1 . . . . 28 ARG N . 11323 1 255 . 1 1 29 29 CYS H H 1 8.211 0.030 . 1 . . . . 29 CYS H . 11323 1 256 . 1 1 29 29 CYS HA H 1 4.208 0.030 . 1 . . . . 29 CYS HA . 11323 1 257 . 1 1 29 29 CYS HB2 H 1 3.227 0.030 . 2 . . . . 29 CYS HB2 . 11323 1 258 . 1 1 29 29 CYS HB3 H 1 2.782 0.030 . 2 . . . . 29 CYS HB3 . 11323 1 259 . 1 1 29 29 CYS C C 13 177.352 0.300 . 1 . . . . 29 CYS C . 11323 1 260 . 1 1 29 29 CYS CA C 13 60.383 0.300 . 1 . . . . 29 CYS CA . 11323 1 261 . 1 1 29 29 CYS CB C 13 31.280 0.300 . 1 . . . . 29 CYS CB . 11323 1 262 . 1 1 29 29 CYS N N 15 122.822 0.300 . 1 . . . . 29 CYS N . 11323 1 263 . 1 1 30 30 SER H H 1 8.606 0.030 . 1 . . . . 30 SER H . 11323 1 264 . 1 1 30 30 SER HA H 1 4.173 0.030 . 1 . . . . 30 SER HA . 11323 1 265 . 1 1 30 30 SER HB2 H 1 3.949 0.030 . 2 . . . . 30 SER HB2 . 11323 1 266 . 1 1 30 30 SER HB3 H 1 4.028 0.030 . 2 . . . . 30 SER HB3 . 11323 1 267 . 1 1 30 30 SER C C 13 174.455 0.300 . 1 . . . . 30 SER C . 11323 1 268 . 1 1 30 30 SER CA C 13 60.772 0.300 . 1 . . . . 30 SER CA . 11323 1 269 . 1 1 30 30 SER CB C 13 62.987 0.300 . 1 . . . . 30 SER CB . 11323 1 270 . 1 1 30 30 SER N N 15 126.170 0.300 . 1 . . . . 30 SER N . 11323 1 271 . 1 1 31 31 ARG H H 1 8.795 0.030 . 1 . . . . 31 ARG H . 11323 1 272 . 1 1 31 31 ARG HA H 1 4.293 0.030 . 1 . . . . 31 ARG HA . 11323 1 273 . 1 1 31 31 ARG HB2 H 1 1.764 0.030 . 2 . . . . 31 ARG HB2 . 11323 1 274 . 1 1 31 31 ARG HB3 H 1 1.815 0.030 . 2 . . . . 31 ARG HB3 . 11323 1 275 . 1 1 31 31 ARG HD2 H 1 3.245 0.030 . 2 . . . . 31 ARG HD2 . 11323 1 276 . 1 1 31 31 ARG HD3 H 1 3.365 0.030 . 2 . . . . 31 ARG HD3 . 11323 1 277 . 1 1 31 31 ARG HG2 H 1 1.524 0.030 . 2 . . . . 31 ARG HG2 . 11323 1 278 . 1 1 31 31 ARG HG3 H 1 1.561 0.030 . 2 . . . . 31 ARG HG3 . 11323 1 279 . 1 1 31 31 ARG C C 13 176.746 0.300 . 1 . . . . 31 ARG C . 11323 1 280 . 1 1 31 31 ARG CA C 13 58.798 0.300 . 1 . . . . 31 ARG CA . 11323 1 281 . 1 1 31 31 ARG CB C 13 32.431 0.300 . 1 . . . . 31 ARG CB . 11323 1 282 . 1 1 31 31 ARG CD C 13 43.681 0.300 . 1 . . . . 31 ARG CD . 11323 1 283 . 1 1 31 31 ARG CG C 13 27.972 0.300 . 1 . . . . 31 ARG CG . 11323 1 284 . 1 1 31 31 ARG N N 15 123.947 0.300 . 1 . . . . 31 ARG N . 11323 1 285 . 1 1 32 32 CYS H H 1 7.777 0.030 . 1 . . . . 32 CYS H . 11323 1 286 . 1 1 32 32 CYS HA H 1 5.003 0.030 . 1 . . . . 32 CYS HA . 11323 1 287 . 1 1 32 32 CYS HB2 H 1 3.689 0.030 . 2 . . . . 32 CYS HB2 . 11323 1 288 . 1 1 32 32 CYS HB3 H 1 3.263 0.030 . 2 . . . . 32 CYS HB3 . 11323 1 289 . 1 1 32 32 CYS C C 13 176.055 0.300 . 1 . . . . 32 CYS C . 11323 1 290 . 1 1 32 32 CYS CA C 13 58.446 0.300 . 1 . . . . 32 CYS CA . 11323 1 291 . 1 1 32 32 CYS CB C 13 33.689 0.300 . 1 . . . . 32 CYS CB . 11323 1 292 . 1 1 32 32 CYS N N 15 115.532 0.300 . 1 . . . . 32 CYS N . 11323 1 293 . 1 1 33 33 GLN H H 1 8.075 0.030 . 1 . . . . 33 GLN H . 11323 1 294 . 1 1 33 33 GLN HA H 1 3.902 0.030 . 1 . . . . 33 GLN HA . 11323 1 295 . 1 1 33 33 GLN HB2 H 1 2.180 0.030 . 1 . . . . 33 GLN HB2 . 11323 1 296 . 1 1 33 33 GLN HB3 H 1 2.180 0.030 . 1 . . . . 33 GLN HB3 . 11323 1 297 . 1 1 33 33 GLN HE21 H 1 6.650 0.030 . 2 . . . . 33 GLN HE21 . 11323 1 298 . 1 1 33 33 GLN HE22 H 1 7.228 0.030 . 2 . . . . 33 GLN HE22 . 11323 1 299 . 1 1 33 33 GLN HG2 H 1 2.111 0.030 . 2 . . . . 33 GLN HG2 . 11323 1 300 . 1 1 33 33 GLN HG3 H 1 2.199 0.030 . 2 . . . . 33 GLN HG3 . 11323 1 301 . 1 1 33 33 GLN C C 13 176.103 0.300 . 1 . . . . 33 GLN C . 11323 1 302 . 1 1 33 33 GLN CA C 13 57.047 0.300 . 1 . . . . 33 GLN CA . 11323 1 303 . 1 1 33 33 GLN CB C 13 25.810 0.300 . 1 . . . . 33 GLN CB . 11323 1 304 . 1 1 33 33 GLN CG C 13 33.236 0.300 . 1 . . . . 33 GLN CG . 11323 1 305 . 1 1 33 33 GLN N N 15 116.873 0.300 . 1 . . . . 33 GLN N . 11323 1 306 . 1 1 33 33 GLN NE2 N 15 111.692 0.300 . 1 . . . . 33 GLN NE2 . 11323 1 307 . 1 1 34 34 ASN H H 1 8.909 0.030 . 1 . . . . 34 ASN H . 11323 1 308 . 1 1 34 34 ASN HA H 1 5.051 0.030 . 1 . . . . 34 ASN HA . 11323 1 309 . 1 1 34 34 ASN HB2 H 1 3.071 0.030 . 2 . . . . 34 ASN HB2 . 11323 1 310 . 1 1 34 34 ASN HB3 H 1 2.529 0.030 . 2 . . . . 34 ASN HB3 . 11323 1 311 . 1 1 34 34 ASN HD21 H 1 7.642 0.030 . 2 . . . . 34 ASN HD21 . 11323 1 312 . 1 1 34 34 ASN HD22 H 1 6.843 0.030 . 2 . . . . 34 ASN HD22 . 11323 1 313 . 1 1 34 34 ASN C C 13 174.153 0.300 . 1 . . . . 34 ASN C . 11323 1 314 . 1 1 34 34 ASN CA C 13 53.020 0.300 . 1 . . . . 34 ASN CA . 11323 1 315 . 1 1 34 34 ASN CB C 13 40.615 0.300 . 1 . . . . 34 ASN CB . 11323 1 316 . 1 1 34 34 ASN N N 15 118.189 0.300 . 1 . . . . 34 ASN N . 11323 1 317 . 1 1 34 34 ASN ND2 N 15 111.958 0.300 . 1 . . . . 34 ASN ND2 . 11323 1 318 . 1 1 35 35 GLU H H 1 6.815 0.030 . 1 . . . . 35 GLU H . 11323 1 319 . 1 1 35 35 GLU HA H 1 4.518 0.030 . 1 . . . . 35 GLU HA . 11323 1 320 . 1 1 35 35 GLU HB2 H 1 1.877 0.030 . 2 . . . . 35 GLU HB2 . 11323 1 321 . 1 1 35 35 GLU HB3 H 1 1.119 0.030 . 2 . . . . 35 GLU HB3 . 11323 1 322 . 1 1 35 35 GLU HG2 H 1 1.713 0.030 . 2 . . . . 35 GLU HG2 . 11323 1 323 . 1 1 35 35 GLU HG3 H 1 1.975 0.030 . 2 . . . . 35 GLU HG3 . 11323 1 324 . 1 1 35 35 GLU C C 13 173.280 0.300 . 1 . . . . 35 GLU C . 11323 1 325 . 1 1 35 35 GLU CA C 13 54.687 0.300 . 1 . . . . 35 GLU CA . 11323 1 326 . 1 1 35 35 GLU CB C 13 33.171 0.300 . 1 . . . . 35 GLU CB . 11323 1 327 . 1 1 35 35 GLU CG C 13 35.868 0.300 . 1 . . . . 35 GLU CG . 11323 1 328 . 1 1 35 35 GLU N N 15 116.873 0.300 . 1 . . . . 35 GLU N . 11323 1 329 . 1 1 36 36 TRP H H 1 9.337 0.030 . 1 . . . . 36 TRP H . 11323 1 330 . 1 1 36 36 TRP HA H 1 4.956 0.030 . 1 . . . . 36 TRP HA . 11323 1 331 . 1 1 36 36 TRP HB2 H 1 2.625 0.030 . 2 . . . . 36 TRP HB2 . 11323 1 332 . 1 1 36 36 TRP HB3 H 1 2.769 0.030 . 2 . . . . 36 TRP HB3 . 11323 1 333 . 1 1 36 36 TRP HD1 H 1 7.101 0.030 . 1 . . . . 36 TRP HD1 . 11323 1 334 . 1 1 36 36 TRP HE1 H 1 10.016 0.030 . 1 . . . . 36 TRP HE1 . 11323 1 335 . 1 1 36 36 TRP HE3 H 1 6.708 0.030 . 1 . . . . 36 TRP HE3 . 11323 1 336 . 1 1 36 36 TRP HH2 H 1 7.089 0.030 . 1 . . . . 36 TRP HH2 . 11323 1 337 . 1 1 36 36 TRP HZ2 H 1 7.373 0.030 . 1 . . . . 36 TRP HZ2 . 11323 1 338 . 1 1 36 36 TRP HZ3 H 1 7.179 0.030 . 1 . . . . 36 TRP HZ3 . 11323 1 339 . 1 1 36 36 TRP C C 13 174.019 0.300 . 1 . . . . 36 TRP C . 11323 1 340 . 1 1 36 36 TRP CA C 13 56.914 0.300 . 1 . . . . 36 TRP CA . 11323 1 341 . 1 1 36 36 TRP CB C 13 32.390 0.300 . 1 . . . . 36 TRP CB . 11323 1 342 . 1 1 36 36 TRP CD1 C 13 126.961 0.300 . 1 . . . . 36 TRP CD1 . 11323 1 343 . 1 1 36 36 TRP CE3 C 13 120.939 0.300 . 1 . . . . 36 TRP CE3 . 11323 1 344 . 1 1 36 36 TRP CH2 C 13 124.232 0.300 . 1 . . . . 36 TRP CH2 . 11323 1 345 . 1 1 36 36 TRP CZ2 C 13 114.351 0.300 . 1 . . . . 36 TRP CZ2 . 11323 1 346 . 1 1 36 36 TRP CZ3 C 13 120.639 0.300 . 1 . . . . 36 TRP CZ3 . 11323 1 347 . 1 1 36 36 TRP N N 15 127.836 0.300 . 1 . . . . 36 TRP N . 11323 1 348 . 1 1 36 36 TRP NE1 N 15 128.754 0.300 . 1 . . . . 36 TRP NE1 . 11323 1 349 . 1 1 37 37 TYR H H 1 9.046 0.030 . 1 . . . . 37 TYR H . 11323 1 350 . 1 1 37 37 TYR HA H 1 6.074 0.030 . 1 . . . . 37 TYR HA . 11323 1 351 . 1 1 37 37 TYR HB2 H 1 3.381 0.030 . 2 . . . . 37 TYR HB2 . 11323 1 352 . 1 1 37 37 TYR HB3 H 1 2.342 0.030 . 2 . . . . 37 TYR HB3 . 11323 1 353 . 1 1 37 37 TYR HD1 H 1 7.518 0.030 . 3 . . . . 37 TYR HD1 . 11323 1 354 . 1 1 37 37 TYR HD2 H 1 6.561 0.030 . 3 . . . . 37 TYR HD2 . 11323 1 355 . 1 1 37 37 TYR HE1 H 1 6.720 0.030 . 3 . . . . 37 TYR HE1 . 11323 1 356 . 1 1 37 37 TYR HE2 H 1 6.115 0.030 . 3 . . . . 37 TYR HE2 . 11323 1 357 . 1 1 37 37 TYR C C 13 176.115 0.300 . 1 . . . . 37 TYR C . 11323 1 358 . 1 1 37 37 TYR CA C 13 57.020 0.300 . 1 . . . . 37 TYR CA . 11323 1 359 . 1 1 37 37 TYR CB C 13 44.306 0.300 . 1 . . . . 37 TYR CB . 11323 1 360 . 1 1 37 37 TYR CD1 C 13 133.779 0.300 . 3 . . . . 37 TYR CD1 . 11323 1 361 . 1 1 37 37 TYR CD2 C 13 133.284 0.300 . 3 . . . . 37 TYR CD2 . 11323 1 362 . 1 1 37 37 TYR CE1 C 13 118.509 0.300 . 3 . . . . 37 TYR CE1 . 11323 1 363 . 1 1 37 37 TYR CE2 C 13 117.337 0.300 . 3 . . . . 37 TYR CE2 . 11323 1 364 . 1 1 37 37 TYR N N 15 115.502 0.300 . 1 . . . . 37 TYR N . 11323 1 365 . 1 1 38 38 CYS H H 1 9.856 0.030 . 1 . . . . 38 CYS H . 11323 1 366 . 1 1 38 38 CYS HA H 1 5.053 0.030 . 1 . . . . 38 CYS HA . 11323 1 367 . 1 1 38 38 CYS HB2 H 1 3.322 0.030 . 2 . . . . 38 CYS HB2 . 11323 1 368 . 1 1 38 38 CYS HB3 H 1 2.825 0.030 . 2 . . . . 38 CYS HB3 . 11323 1 369 . 1 1 38 38 CYS C C 13 175.558 0.300 . 1 . . . . 38 CYS C . 11323 1 370 . 1 1 38 38 CYS CA C 13 59.978 0.300 . 1 . . . . 38 CYS CA . 11323 1 371 . 1 1 38 38 CYS CB C 13 31.732 0.300 . 1 . . . . 38 CYS CB . 11323 1 372 . 1 1 38 38 CYS N N 15 119.447 0.300 . 1 . . . . 38 CYS N . 11323 1 373 . 1 1 39 39 CYS H H 1 7.543 0.030 . 1 . . . . 39 CYS H . 11323 1 374 . 1 1 39 39 CYS HA H 1 4.887 0.030 . 1 . . . . 39 CYS HA . 11323 1 375 . 1 1 39 39 CYS HB2 H 1 3.133 0.030 . 2 . . . . 39 CYS HB2 . 11323 1 376 . 1 1 39 39 CYS HB3 H 1 3.679 0.030 . 2 . . . . 39 CYS HB3 . 11323 1 377 . 1 1 39 39 CYS C C 13 173.655 0.300 . 1 . . . . 39 CYS C . 11323 1 378 . 1 1 39 39 CYS CA C 13 56.385 0.300 . 1 . . . . 39 CYS CA . 11323 1 379 . 1 1 39 39 CYS CB C 13 30.386 0.300 . 1 . . . . 39 CYS CB . 11323 1 380 . 1 1 39 39 CYS N N 15 115.152 0.300 . 1 . . . . 39 CYS N . 11323 1 381 . 1 1 40 40 ARG H H 1 8.315 0.030 . 1 . . . . 40 ARG H . 11323 1 382 . 1 1 40 40 ARG HA H 1 4.006 0.030 . 1 . . . . 40 ARG HA . 11323 1 383 . 1 1 40 40 ARG HB2 H 1 1.803 0.030 . 2 . . . . 40 ARG HB2 . 11323 1 384 . 1 1 40 40 ARG HB3 H 1 1.895 0.030 . 2 . . . . 40 ARG HB3 . 11323 1 385 . 1 1 40 40 ARG HD2 H 1 3.092 0.030 . 2 . . . . 40 ARG HD2 . 11323 1 386 . 1 1 40 40 ARG HD3 H 1 3.213 0.030 . 2 . . . . 40 ARG HD3 . 11323 1 387 . 1 1 40 40 ARG HG2 H 1 1.623 0.030 . 1 . . . . 40 ARG HG2 . 11323 1 388 . 1 1 40 40 ARG HG3 H 1 1.623 0.030 . 1 . . . . 40 ARG HG3 . 11323 1 389 . 1 1 40 40 ARG C C 13 177.170 0.300 . 1 . . . . 40 ARG C . 11323 1 390 . 1 1 40 40 ARG CA C 13 58.536 0.300 . 1 . . . . 40 ARG CA . 11323 1 391 . 1 1 40 40 ARG CB C 13 29.678 0.300 . 1 . . . . 40 ARG CB . 11323 1 392 . 1 1 40 40 ARG CD C 13 43.126 0.300 . 1 . . . . 40 ARG CD . 11323 1 393 . 1 1 40 40 ARG CG C 13 27.081 0.300 . 1 . . . . 40 ARG CG . 11323 1 394 . 1 1 41 41 GLU H H 1 8.976 0.030 . 1 . . . . 41 GLU H . 11323 1 395 . 1 1 41 41 GLU HA H 1 3.892 0.030 . 1 . . . . 41 GLU HA . 11323 1 396 . 1 1 41 41 GLU HB2 H 1 1.925 0.030 . 2 . . . . 41 GLU HB2 . 11323 1 397 . 1 1 41 41 GLU HB3 H 1 2.298 0.030 . 2 . . . . 41 GLU HB3 . 11323 1 398 . 1 1 41 41 GLU HG2 H 1 2.252 0.030 . 2 . . . . 41 GLU HG2 . 11323 1 399 . 1 1 41 41 GLU HG3 H 1 2.425 0.030 . 2 . . . . 41 GLU HG3 . 11323 1 400 . 1 1 41 41 GLU C C 13 179.145 0.300 . 1 . . . . 41 GLU C . 11323 1 401 . 1 1 41 41 GLU CA C 13 61.335 0.300 . 1 . . . . 41 GLU CA . 11323 1 402 . 1 1 41 41 GLU CB C 13 28.812 0.300 . 1 . . . . 41 GLU CB . 11323 1 403 . 1 1 41 41 GLU CG C 13 37.430 0.300 . 1 . . . . 41 GLU CG . 11323 1 404 . 1 1 41 41 GLU N N 15 119.811 0.300 . 1 . . . . 41 GLU N . 11323 1 405 . 1 1 42 42 CYS H H 1 7.825 0.030 . 1 . . . . 42 CYS H . 11323 1 406 . 1 1 42 42 CYS HA H 1 3.645 0.030 . 1 . . . . 42 CYS HA . 11323 1 407 . 1 1 42 42 CYS HB2 H 1 3.054 0.030 . 2 . . . . 42 CYS HB2 . 11323 1 408 . 1 1 42 42 CYS HB3 H 1 3.126 0.030 . 2 . . . . 42 CYS HB3 . 11323 1 409 . 1 1 42 42 CYS C C 13 176.079 0.300 . 1 . . . . 42 CYS C . 11323 1 410 . 1 1 42 42 CYS CA C 13 66.248 0.300 . 1 . . . . 42 CYS CA . 11323 1 411 . 1 1 42 42 CYS CB C 13 31.650 0.300 . 1 . . . . 42 CYS CB . 11323 1 412 . 1 1 42 42 CYS N N 15 120.663 0.300 . 1 . . . . 42 CYS N . 11323 1 413 . 1 1 43 43 GLN H H 1 6.942 0.030 . 1 . . . . 43 GLN H . 11323 1 414 . 1 1 43 43 GLN HA H 1 2.162 0.030 . 1 . . . . 43 GLN HA . 11323 1 415 . 1 1 43 43 GLN HB2 H 1 1.308 0.030 . 2 . . . . 43 GLN HB2 . 11323 1 416 . 1 1 43 43 GLN HB3 H 1 2.172 0.030 . 2 . . . . 43 GLN HB3 . 11323 1 417 . 1 1 43 43 GLN HE21 H 1 7.546 0.030 . 2 . . . . 43 GLN HE21 . 11323 1 418 . 1 1 43 43 GLN HE22 H 1 7.147 0.030 . 2 . . . . 43 GLN HE22 . 11323 1 419 . 1 1 43 43 GLN HG2 H 1 1.908 0.030 . 2 . . . . 43 GLN HG2 . 11323 1 420 . 1 1 43 43 GLN HG3 H 1 2.032 0.030 . 2 . . . . 43 GLN HG3 . 11323 1 421 . 1 1 43 43 GLN C C 13 179.048 0.300 . 1 . . . . 43 GLN C . 11323 1 422 . 1 1 43 43 GLN CA C 13 58.934 0.300 . 1 . . . . 43 GLN CA . 11323 1 423 . 1 1 43 43 GLN CB C 13 28.262 0.300 . 1 . . . . 43 GLN CB . 11323 1 424 . 1 1 43 43 GLN CG C 13 33.400 0.300 . 1 . . . . 43 GLN CG . 11323 1 425 . 1 1 43 43 GLN N N 15 119.024 0.300 . 1 . . . . 43 GLN N . 11323 1 426 . 1 1 43 43 GLN NE2 N 15 111.560 0.300 . 1 . . . . 43 GLN NE2 . 11323 1 427 . 1 1 44 44 VAL H H 1 8.183 0.030 . 1 . . . . 44 VAL H . 11323 1 428 . 1 1 44 44 VAL HA H 1 3.638 0.030 . 1 . . . . 44 VAL HA . 11323 1 429 . 1 1 44 44 VAL HB H 1 2.067 0.030 . 1 . . . . 44 VAL HB . 11323 1 430 . 1 1 44 44 VAL HG11 H 1 0.921 0.030 . 1 . . . . 44 VAL HG1 . 11323 1 431 . 1 1 44 44 VAL HG12 H 1 0.921 0.030 . 1 . . . . 44 VAL HG1 . 11323 1 432 . 1 1 44 44 VAL HG13 H 1 0.921 0.030 . 1 . . . . 44 VAL HG1 . 11323 1 433 . 1 1 44 44 VAL HG21 H 1 0.873 0.030 . 1 . . . . 44 VAL HG2 . 11323 1 434 . 1 1 44 44 VAL HG22 H 1 0.873 0.030 . 1 . . . . 44 VAL HG2 . 11323 1 435 . 1 1 44 44 VAL HG23 H 1 0.873 0.030 . 1 . . . . 44 VAL HG2 . 11323 1 436 . 1 1 44 44 VAL C C 13 179.957 0.300 . 1 . . . . 44 VAL C . 11323 1 437 . 1 1 44 44 VAL CA C 13 66.356 0.300 . 1 . . . . 44 VAL CA . 11323 1 438 . 1 1 44 44 VAL CB C 13 31.773 0.300 . 1 . . . . 44 VAL CB . 11323 1 439 . 1 1 44 44 VAL CG1 C 13 22.125 0.300 . 2 . . . . 44 VAL CG1 . 11323 1 440 . 1 1 44 44 VAL CG2 C 13 20.945 0.300 . 2 . . . . 44 VAL CG2 . 11323 1 441 . 1 1 44 44 VAL N N 15 119.167 0.300 . 1 . . . . 44 VAL N . 11323 1 442 . 1 1 45 45 LYS H H 1 8.067 0.030 . 1 . . . . 45 LYS H . 11323 1 443 . 1 1 45 45 LYS HA H 1 3.950 0.030 . 1 . . . . 45 LYS HA . 11323 1 444 . 1 1 45 45 LYS HB2 H 1 1.202 0.030 . 2 . . . . 45 LYS HB2 . 11323 1 445 . 1 1 45 45 LYS HB3 H 1 0.883 0.030 . 2 . . . . 45 LYS HB3 . 11323 1 446 . 1 1 45 45 LYS HD2 H 1 1.581 0.030 . 2 . . . . 45 LYS HD2 . 11323 1 447 . 1 1 45 45 LYS HD3 H 1 1.416 0.030 . 2 . . . . 45 LYS HD3 . 11323 1 448 . 1 1 45 45 LYS HE2 H 1 2.853 0.030 . 1 . . . . 45 LYS HE2 . 11323 1 449 . 1 1 45 45 LYS HE3 H 1 2.853 0.030 . 1 . . . . 45 LYS HE3 . 11323 1 450 . 1 1 45 45 LYS HG2 H 1 1.315 0.030 . 2 . . . . 45 LYS HG2 . 11323 1 451 . 1 1 45 45 LYS HG3 H 1 1.496 0.030 . 2 . . . . 45 LYS HG3 . 11323 1 452 . 1 1 45 45 LYS C C 13 178.442 0.300 . 1 . . . . 45 LYS C . 11323 1 453 . 1 1 45 45 LYS CA C 13 59.450 0.300 . 1 . . . . 45 LYS CA . 11323 1 454 . 1 1 45 45 LYS CB C 13 31.511 0.300 . 1 . . . . 45 LYS CB . 11323 1 455 . 1 1 45 45 LYS CD C 13 29.442 0.300 . 1 . . . . 45 LYS CD . 11323 1 456 . 1 1 45 45 LYS CE C 13 42.421 0.300 . 1 . . . . 45 LYS CE . 11323 1 457 . 1 1 45 45 LYS CG C 13 26.375 0.300 . 1 . . . . 45 LYS CG . 11323 1 458 . 1 1 45 45 LYS N N 15 120.262 0.300 . 1 . . . . 45 LYS N . 11323 1 459 . 1 1 46 46 HIS H H 1 7.914 0.030 . 1 . . . . 46 HIS H . 11323 1 460 . 1 1 46 46 HIS HA H 1 4.814 0.030 . 1 . . . . 46 HIS HA . 11323 1 461 . 1 1 46 46 HIS HB2 H 1 3.551 0.030 . 2 . . . . 46 HIS HB2 . 11323 1 462 . 1 1 46 46 HIS HB3 H 1 3.298 0.030 . 2 . . . . 46 HIS HB3 . 11323 1 463 . 1 1 46 46 HIS HD2 H 1 7.637 0.030 . 1 . . . . 46 HIS HD2 . 11323 1 464 . 1 1 46 46 HIS HE1 H 1 7.989 0.030 . 1 . . . . 46 HIS HE1 . 11323 1 465 . 1 1 46 46 HIS C C 13 176.370 0.300 . 1 . . . . 46 HIS C . 11323 1 466 . 1 1 46 46 HIS CA C 13 57.054 0.300 . 1 . . . . 46 HIS CA . 11323 1 467 . 1 1 46 46 HIS CB C 13 34.058 0.300 . 1 . . . . 46 HIS CB . 11323 1 468 . 1 1 46 46 HIS CD2 C 13 116.795 0.300 . 1 . . . . 46 HIS CD2 . 11323 1 469 . 1 1 46 46 HIS CE1 C 13 137.099 0.300 . 1 . . . . 46 HIS CE1 . 11323 1 470 . 1 1 46 46 HIS N N 15 116.874 0.300 . 1 . . . . 46 HIS N . 11323 1 471 . 1 1 47 47 TRP H H 1 7.794 0.030 . 1 . . . . 47 TRP H . 11323 1 472 . 1 1 47 47 TRP HA H 1 4.672 0.030 . 1 . . . . 47 TRP HA . 11323 1 473 . 1 1 47 47 TRP HB2 H 1 3.582 0.030 . 2 . . . . 47 TRP HB2 . 11323 1 474 . 1 1 47 47 TRP HB3 H 1 3.351 0.030 . 2 . . . . 47 TRP HB3 . 11323 1 475 . 1 1 47 47 TRP HD1 H 1 7.223 0.030 . 1 . . . . 47 TRP HD1 . 11323 1 476 . 1 1 47 47 TRP HE1 H 1 10.000 0.030 . 1 . . . . 47 TRP HE1 . 11323 1 477 . 1 1 47 47 TRP HE3 H 1 8.098 0.030 . 1 . . . . 47 TRP HE3 . 11323 1 478 . 1 1 47 47 TRP HH2 H 1 7.189 0.030 . 1 . . . . 47 TRP HH2 . 11323 1 479 . 1 1 47 47 TRP HZ2 H 1 7.462 0.030 . 1 . . . . 47 TRP HZ2 . 11323 1 480 . 1 1 47 47 TRP HZ3 H 1 7.600 0.030 . 1 . . . . 47 TRP HZ3 . 11323 1 481 . 1 1 47 47 TRP C C 13 177.364 0.300 . 1 . . . . 47 TRP C . 11323 1 482 . 1 1 47 47 TRP CA C 13 60.595 0.300 . 1 . . . . 47 TRP CA . 11323 1 483 . 1 1 47 47 TRP CB C 13 29.840 0.300 . 1 . . . . 47 TRP CB . 11323 1 484 . 1 1 47 47 TRP CD1 C 13 127.426 0.300 . 1 . . . . 47 TRP CD1 . 11323 1 485 . 1 1 47 47 TRP CE3 C 13 121.637 0.300 . 1 . . . . 47 TRP CE3 . 11323 1 486 . 1 1 47 47 TRP CH2 C 13 124.632 0.300 . 1 . . . . 47 TRP CH2 . 11323 1 487 . 1 1 47 47 TRP CZ2 C 13 114.616 0.300 . 1 . . . . 47 TRP CZ2 . 11323 1 488 . 1 1 47 47 TRP CZ3 C 13 122.602 0.300 . 1 . . . . 47 TRP CZ3 . 11323 1 489 . 1 1 47 47 TRP N N 15 122.401 0.300 . 1 . . . . 47 TRP N . 11323 1 490 . 1 1 47 47 TRP NE1 N 15 128.295 0.300 . 1 . . . . 47 TRP NE1 . 11323 1 491 . 1 1 48 48 GLU H H 1 8.423 0.030 . 1 . . . . 48 GLU H . 11323 1 492 . 1 1 48 48 GLU HA H 1 3.778 0.030 . 1 . . . . 48 GLU HA . 11323 1 493 . 1 1 48 48 GLU HB2 H 1 2.036 0.030 . 2 . . . . 48 GLU HB2 . 11323 1 494 . 1 1 48 48 GLU HB3 H 1 2.138 0.030 . 2 . . . . 48 GLU HB3 . 11323 1 495 . 1 1 48 48 GLU HG2 H 1 2.299 0.030 . 1 . . . . 48 GLU HG2 . 11323 1 496 . 1 1 48 48 GLU HG3 H 1 2.299 0.030 . 1 . . . . 48 GLU HG3 . 11323 1 497 . 1 1 48 48 GLU C C 13 177.400 0.300 . 1 . . . . 48 GLU C . 11323 1 498 . 1 1 48 48 GLU CA C 13 59.556 0.300 . 1 . . . . 48 GLU CA . 11323 1 499 . 1 1 48 48 GLU CB C 13 28.977 0.300 . 1 . . . . 48 GLU CB . 11323 1 500 . 1 1 48 48 GLU CG C 13 36.048 0.300 . 1 . . . . 48 GLU CG . 11323 1 501 . 1 1 48 48 GLU N N 15 117.743 0.300 . 1 . . . . 48 GLU N . 11323 1 502 . 1 1 49 49 LYS H H 1 7.340 0.030 . 1 . . . . 49 LYS H . 11323 1 503 . 1 1 49 49 LYS HA H 1 4.224 0.030 . 1 . . . . 49 LYS HA . 11323 1 504 . 1 1 49 49 LYS HB2 H 1 1.436 0.030 . 2 . . . . 49 LYS HB2 . 11323 1 505 . 1 1 49 49 LYS HB3 H 1 1.613 0.030 . 2 . . . . 49 LYS HB3 . 11323 1 506 . 1 1 49 49 LYS HD2 H 1 1.765 0.030 . 1 . . . . 49 LYS HD2 . 11323 1 507 . 1 1 49 49 LYS HD3 H 1 1.765 0.030 . 1 . . . . 49 LYS HD3 . 11323 1 508 . 1 1 49 49 LYS HE2 H 1 3.083 0.030 . 1 . . . . 49 LYS HE2 . 11323 1 509 . 1 1 49 49 LYS HE3 H 1 3.083 0.030 . 1 . . . . 49 LYS HE3 . 11323 1 510 . 1 1 49 49 LYS HG2 H 1 1.418 0.030 . 2 . . . . 49 LYS HG2 . 11323 1 511 . 1 1 49 49 LYS HG3 H 1 1.482 0.030 . 2 . . . . 49 LYS HG3 . 11323 1 512 . 1 1 49 49 LYS C C 13 178.418 0.300 . 1 . . . . 49 LYS C . 11323 1 513 . 1 1 49 49 LYS CA C 13 57.371 0.300 . 1 . . . . 49 LYS CA . 11323 1 514 . 1 1 49 49 LYS CB C 13 33.377 0.300 . 1 . . . . 49 LYS CB . 11323 1 515 . 1 1 49 49 LYS CD C 13 28.969 0.300 . 1 . . . . 49 LYS CD . 11323 1 516 . 1 1 49 49 LYS CE C 13 42.419 0.300 . 1 . . . . 49 LYS CE . 11323 1 517 . 1 1 49 49 LYS CG C 13 25.175 0.300 . 1 . . . . 49 LYS CG . 11323 1 518 . 1 1 49 49 LYS N N 15 116.331 0.300 . 1 . . . . 49 LYS N . 11323 1 519 . 1 1 50 50 HIS H H 1 8.456 0.030 . 1 . . . . 50 HIS H . 11323 1 520 . 1 1 50 50 HIS HA H 1 4.107 0.030 . 1 . . . . 50 HIS HA . 11323 1 521 . 1 1 50 50 HIS HB2 H 1 3.405 0.030 . 2 . . . . 50 HIS HB2 . 11323 1 522 . 1 1 50 50 HIS HB3 H 1 2.979 0.030 . 2 . . . . 50 HIS HB3 . 11323 1 523 . 1 1 50 50 HIS HD2 H 1 7.277 0.030 . 1 . . . . 50 HIS HD2 . 11323 1 524 . 1 1 50 50 HIS HE1 H 1 7.910 0.030 . 1 . . . . 50 HIS HE1 . 11323 1 525 . 1 1 50 50 HIS C C 13 176.394 0.300 . 1 . . . . 50 HIS C . 11323 1 526 . 1 1 50 50 HIS CA C 13 58.464 0.300 . 1 . . . . 50 HIS CA . 11323 1 527 . 1 1 50 50 HIS CB C 13 30.170 0.300 . 1 . . . . 50 HIS CB . 11323 1 528 . 1 1 50 50 HIS CD2 C 13 127.583 0.300 . 1 . . . . 50 HIS CD2 . 11323 1 529 . 1 1 50 50 HIS CE1 C 13 139.703 0.300 . 1 . . . . 50 HIS CE1 . 11323 1 530 . 1 1 50 50 HIS N N 15 119.350 0.300 . 1 . . . . 50 HIS N . 11323 1 531 . 1 1 51 51 GLY H H 1 8.648 0.030 . 1 . . . . 51 GLY H . 11323 1 532 . 1 1 51 51 GLY HA2 H 1 2.398 0.030 . 2 . . . . 51 GLY HA2 . 11323 1 533 . 1 1 51 51 GLY HA3 H 1 2.102 0.030 . 2 . . . . 51 GLY HA3 . 11323 1 534 . 1 1 51 51 GLY C C 13 174.928 0.300 . 1 . . . . 51 GLY C . 11323 1 535 . 1 1 51 51 GLY CA C 13 45.410 0.300 . 1 . . . . 51 GLY CA . 11323 1 536 . 1 1 51 51 GLY N N 15 105.828 0.300 . 1 . . . . 51 GLY N . 11323 1 537 . 1 1 52 52 LYS H H 1 6.927 0.030 . 1 . . . . 52 LYS H . 11323 1 538 . 1 1 52 52 LYS HA H 1 3.949 0.030 . 1 . . . . 52 LYS HA . 11323 1 539 . 1 1 52 52 LYS HB2 H 1 1.732 0.030 . 2 . . . . 52 LYS HB2 . 11323 1 540 . 1 1 52 52 LYS HB3 H 1 1.782 0.030 . 2 . . . . 52 LYS HB3 . 11323 1 541 . 1 1 52 52 LYS HD2 H 1 1.633 0.030 . 1 . . . . 52 LYS HD2 . 11323 1 542 . 1 1 52 52 LYS HD3 H 1 1.633 0.030 . 1 . . . . 52 LYS HD3 . 11323 1 543 . 1 1 52 52 LYS HE2 H 1 3.004 0.030 . 1 . . . . 52 LYS HE2 . 11323 1 544 . 1 1 52 52 LYS HE3 H 1 3.004 0.030 . 1 . . . . 52 LYS HE3 . 11323 1 545 . 1 1 52 52 LYS HG2 H 1 1.345 0.030 . 2 . . . . 52 LYS HG2 . 11323 1 546 . 1 1 52 52 LYS HG3 H 1 1.431 0.030 . 2 . . . . 52 LYS HG3 . 11323 1 547 . 1 1 52 52 LYS C C 13 177.739 0.300 . 1 . . . . 52 LYS C . 11323 1 548 . 1 1 52 52 LYS CA C 13 57.990 0.300 . 1 . . . . 52 LYS CA . 11323 1 549 . 1 1 52 52 LYS CB C 13 32.273 0.300 . 1 . . . . 52 LYS CB . 11323 1 550 . 1 1 52 52 LYS CD C 13 28.959 0.300 . 1 . . . . 52 LYS CD . 11323 1 551 . 1 1 52 52 LYS CE C 13 42.119 0.300 . 1 . . . . 52 LYS CE . 11323 1 552 . 1 1 52 52 LYS CG C 13 24.846 0.300 . 1 . . . . 52 LYS CG . 11323 1 553 . 1 1 52 52 LYS N N 15 116.783 0.300 . 1 . . . . 52 LYS N . 11323 1 554 . 1 1 53 53 THR H H 1 7.379 0.030 . 1 . . . . 53 THR H . 11323 1 555 . 1 1 53 53 THR HA H 1 4.340 0.030 . 1 . . . . 53 THR HA . 11323 1 556 . 1 1 53 53 THR HB H 1 4.316 0.030 . 1 . . . . 53 THR HB . 11323 1 557 . 1 1 53 53 THR HG21 H 1 1.084 0.030 . 1 . . . . 53 THR HG2 . 11323 1 558 . 1 1 53 53 THR HG22 H 1 1.084 0.030 . 1 . . . . 53 THR HG2 . 11323 1 559 . 1 1 53 53 THR HG23 H 1 1.084 0.030 . 1 . . . . 53 THR HG2 . 11323 1 560 . 1 1 53 53 THR C C 13 173.716 0.300 . 1 . . . . 53 THR C . 11323 1 561 . 1 1 53 53 THR CA C 13 61.119 0.300 . 1 . . . . 53 THR CA . 11323 1 562 . 1 1 53 53 THR CB C 13 69.567 0.300 . 1 . . . . 53 THR CB . 11323 1 563 . 1 1 53 53 THR CG2 C 13 21.556 0.300 . 1 . . . . 53 THR CG2 . 11323 1 564 . 1 1 53 53 THR N N 15 107.338 0.300 . 1 . . . . 53 THR N . 11323 1 565 . 1 1 54 54 CYS H H 1 7.086 0.030 . 1 . . . . 54 CYS H . 11323 1 566 . 1 1 54 54 CYS HA H 1 3.802 0.030 . 1 . . . . 54 CYS HA . 11323 1 567 . 1 1 54 54 CYS HB2 H 1 2.576 0.030 . 2 . . . . 54 CYS HB2 . 11323 1 568 . 1 1 54 54 CYS HB3 H 1 1.726 0.030 . 2 . . . . 54 CYS HB3 . 11323 1 569 . 1 1 54 54 CYS C C 13 175.607 0.300 . 1 . . . . 54 CYS C . 11323 1 570 . 1 1 54 54 CYS CA C 13 61.758 0.300 . 1 . . . . 54 CYS CA . 11323 1 571 . 1 1 54 54 CYS CB C 13 29.470 0.300 . 1 . . . . 54 CYS CB . 11323 1 572 . 1 1 54 54 CYS N N 15 126.688 0.300 . 1 . . . . 54 CYS N . 11323 1 573 . 1 1 55 55 VAL H H 1 7.842 0.030 . 1 . . . . 55 VAL H . 11323 1 574 . 1 1 55 55 VAL HA H 1 4.180 0.030 . 1 . . . . 55 VAL HA . 11323 1 575 . 1 1 55 55 VAL HB H 1 2.040 0.030 . 1 . . . . 55 VAL HB . 11323 1 576 . 1 1 55 55 VAL HG11 H 1 0.915 0.030 . 1 . . . . 55 VAL HG1 . 11323 1 577 . 1 1 55 55 VAL HG12 H 1 0.915 0.030 . 1 . . . . 55 VAL HG1 . 11323 1 578 . 1 1 55 55 VAL HG13 H 1 0.915 0.030 . 1 . . . . 55 VAL HG1 . 11323 1 579 . 1 1 55 55 VAL HG21 H 1 0.926 0.030 . 1 . . . . 55 VAL HG2 . 11323 1 580 . 1 1 55 55 VAL HG22 H 1 0.926 0.030 . 1 . . . . 55 VAL HG2 . 11323 1 581 . 1 1 55 55 VAL HG23 H 1 0.926 0.030 . 1 . . . . 55 VAL HG2 . 11323 1 582 . 1 1 55 55 VAL C C 13 175.470 0.300 . 1 . . . . 55 VAL C . 11323 1 583 . 1 1 55 55 VAL CA C 13 61.775 0.300 . 1 . . . . 55 VAL CA . 11323 1 584 . 1 1 55 55 VAL CB C 13 33.336 0.300 . 1 . . . . 55 VAL CB . 11323 1 585 . 1 1 55 55 VAL CG1 C 13 20.490 0.300 . 2 . . . . 55 VAL CG1 . 11323 1 586 . 1 1 55 55 VAL CG2 C 13 21.184 0.300 . 2 . . . . 55 VAL CG2 . 11323 1 587 . 1 1 55 55 VAL N N 15 126.701 0.300 . 1 . . . . 55 VAL N . 11323 1 588 . 1 1 56 56 LEU H H 1 8.055 0.030 . 1 . . . . 56 LEU H . 11323 1 589 . 1 1 56 56 LEU HA H 1 4.040 0.030 . 1 . . . . 56 LEU HA . 11323 1 590 . 1 1 56 56 LEU HB2 H 1 1.534 0.030 . 2 . . . . 56 LEU HB2 . 11323 1 591 . 1 1 56 56 LEU HB3 H 1 1.648 0.030 . 2 . . . . 56 LEU HB3 . 11323 1 592 . 1 1 56 56 LEU HD11 H 1 0.893 0.030 . 1 . . . . 56 LEU HD1 . 11323 1 593 . 1 1 56 56 LEU HD12 H 1 0.893 0.030 . 1 . . . . 56 LEU HD1 . 11323 1 594 . 1 1 56 56 LEU HD13 H 1 0.893 0.030 . 1 . . . . 56 LEU HD1 . 11323 1 595 . 1 1 56 56 LEU HD21 H 1 0.967 0.030 . 1 . . . . 56 LEU HD2 . 11323 1 596 . 1 1 56 56 LEU HD22 H 1 0.967 0.030 . 1 . . . . 56 LEU HD2 . 11323 1 597 . 1 1 56 56 LEU HD23 H 1 0.967 0.030 . 1 . . . . 56 LEU HD2 . 11323 1 598 . 1 1 56 56 LEU HG H 1 1.630 0.030 . 1 . . . . 56 LEU HG . 11323 1 599 . 1 1 56 56 LEU C C 13 177.160 0.300 . 1 . . . . 56 LEU C . 11323 1 600 . 1 1 56 56 LEU CA C 13 55.856 0.300 . 1 . . . . 56 LEU CA . 11323 1 601 . 1 1 56 56 LEU CB C 13 42.219 0.300 . 1 . . . . 56 LEU CB . 11323 1 602 . 1 1 56 56 LEU CD1 C 13 24.544 0.300 . 2 . . . . 56 LEU CD1 . 11323 1 603 . 1 1 56 56 LEU CD2 C 13 24.741 0.300 . 2 . . . . 56 LEU CD2 . 11323 1 604 . 1 1 56 56 LEU CG C 13 27.081 0.300 . 1 . . . . 56 LEU CG . 11323 1 605 . 1 1 56 56 LEU N N 15 125.328 0.300 . 1 . . . . 56 LEU N . 11323 1 606 . 1 1 57 57 ALA H H 1 8.212 0.030 . 1 . . . . 57 ALA H . 11323 1 607 . 1 1 57 57 ALA HA H 1 4.316 0.030 . 1 . . . . 57 ALA HA . 11323 1 608 . 1 1 57 57 ALA HB1 H 1 1.368 0.030 . 1 . . . . 57 ALA HB . 11323 1 609 . 1 1 57 57 ALA HB2 H 1 1.368 0.030 . 1 . . . . 57 ALA HB . 11323 1 610 . 1 1 57 57 ALA HB3 H 1 1.368 0.030 . 1 . . . . 57 ALA HB . 11323 1 611 . 1 1 57 57 ALA C C 13 177.642 0.300 . 1 . . . . 57 ALA C . 11323 1 612 . 1 1 57 57 ALA CA C 13 52.514 0.300 . 1 . . . . 57 ALA CA . 11323 1 613 . 1 1 57 57 ALA CB C 13 19.024 0.300 . 1 . . . . 57 ALA CB . 11323 1 614 . 1 1 57 57 ALA N N 15 127.067 0.300 . 1 . . . . 57 ALA N . 11323 1 615 . 1 1 58 58 ALA H H 1 8.337 0.030 . 1 . . . . 58 ALA H . 11323 1 616 . 1 1 58 58 ALA HA H 1 4.293 0.030 . 1 . . . . 58 ALA HA . 11323 1 617 . 1 1 58 58 ALA HB1 H 1 1.392 0.030 . 1 . . . . 58 ALA HB . 11323 1 618 . 1 1 58 58 ALA HB2 H 1 1.392 0.030 . 1 . . . . 58 ALA HB . 11323 1 619 . 1 1 58 58 ALA HB3 H 1 1.392 0.030 . 1 . . . . 58 ALA HB . 11323 1 620 . 1 1 58 58 ALA C C 13 177.824 0.300 . 1 . . . . 58 ALA C . 11323 1 621 . 1 1 58 58 ALA CA C 13 52.597 0.300 . 1 . . . . 58 ALA CA . 11323 1 622 . 1 1 58 58 ALA CB C 13 19.148 0.300 . 1 . . . . 58 ALA CB . 11323 1 623 . 1 1 58 58 ALA N N 15 123.523 0.300 . 1 . . . . 58 ALA N . 11323 1 624 . 1 1 59 59 GLN H H 1 8.349 0.030 . 1 . . . . 59 GLN H . 11323 1 625 . 1 1 59 59 GLN HA H 1 4.319 0.030 . 1 . . . . 59 GLN HA . 11323 1 626 . 1 1 59 59 GLN HB2 H 1 2.013 0.030 . 2 . . . . 59 GLN HB2 . 11323 1 627 . 1 1 59 59 GLN HB3 H 1 2.152 0.030 . 2 . . . . 59 GLN HB3 . 11323 1 628 . 1 1 59 59 GLN HE21 H 1 6.877 0.030 . 2 . . . . 59 GLN HE21 . 11323 1 629 . 1 1 59 59 GLN HE22 H 1 7.559 0.030 . 2 . . . . 59 GLN HE22 . 11323 1 630 . 1 1 59 59 GLN HG2 H 1 2.394 0.030 . 1 . . . . 59 GLN HG2 . 11323 1 631 . 1 1 59 59 GLN HG3 H 1 2.394 0.030 . 1 . . . . 59 GLN HG3 . 11323 1 632 . 1 1 59 59 GLN C C 13 176.758 0.300 . 1 . . . . 59 GLN C . 11323 1 633 . 1 1 59 59 GLN CA C 13 56.121 0.300 . 1 . . . . 59 GLN CA . 11323 1 634 . 1 1 59 59 GLN CB C 13 29.552 0.300 . 1 . . . . 59 GLN CB . 11323 1 635 . 1 1 59 59 GLN CG C 13 33.925 0.300 . 1 . . . . 59 GLN CG . 11323 1 636 . 1 1 59 59 GLN N N 15 119.335 0.300 . 1 . . . . 59 GLN N . 11323 1 637 . 1 1 59 59 GLN NE2 N 15 112.622 0.300 . 1 . . . . 59 GLN NE2 . 11323 1 638 . 1 1 60 60 GLY H H 1 8.373 0.030 . 1 . . . . 60 GLY H . 11323 1 639 . 1 1 60 60 GLY HA2 H 1 3.961 0.030 . 1 . . . . 60 GLY HA2 . 11323 1 640 . 1 1 60 60 GLY HA3 H 1 3.961 0.030 . 1 . . . . 60 GLY HA3 . 11323 1 641 . 1 1 60 60 GLY C C 13 174.116 0.300 . 1 . . . . 60 GLY C . 11323 1 642 . 1 1 60 60 GLY CA C 13 45.370 0.300 . 1 . . . . 60 GLY CA . 11323 1 643 . 1 1 60 60 GLY N N 15 109.514 0.300 . 1 . . . . 60 GLY N . 11323 1 644 . 1 1 61 61 ASP HA H 1 4.565 0.030 . 1 . . . . 61 ASP HA . 11323 1 645 . 1 1 61 61 ASP HB2 H 1 2.702 0.030 . 2 . . . . 61 ASP HB2 . 11323 1 646 . 1 1 61 61 ASP HB3 H 1 2.646 0.030 . 2 . . . . 61 ASP HB3 . 11323 1 647 . 1 1 61 61 ASP C C 13 176.758 0.300 . 1 . . . . 61 ASP C . 11323 1 648 . 1 1 61 61 ASP CA C 13 54.621 0.300 . 1 . . . . 61 ASP CA . 11323 1 649 . 1 1 61 61 ASP CB C 13 41.214 0.300 . 1 . . . . 61 ASP CB . 11323 1 650 . 1 1 62 62 ARG H H 1 8.267 0.030 . 1 . . . . 62 ARG H . 11323 1 651 . 1 1 62 62 ARG HA H 1 4.284 0.030 . 1 . . . . 62 ARG HA . 11323 1 652 . 1 1 62 62 ARG HB2 H 1 1.798 0.030 . 2 . . . . 62 ARG HB2 . 11323 1 653 . 1 1 62 62 ARG HB3 H 1 1.904 0.030 . 2 . . . . 62 ARG HB3 . 11323 1 654 . 1 1 62 62 ARG HD2 H 1 3.219 0.030 . 1 . . . . 62 ARG HD2 . 11323 1 655 . 1 1 62 62 ARG HD3 H 1 3.219 0.030 . 1 . . . . 62 ARG HD3 . 11323 1 656 . 1 1 62 62 ARG HG2 H 1 1.666 0.030 . 1 . . . . 62 ARG HG2 . 11323 1 657 . 1 1 62 62 ARG HG3 H 1 1.666 0.030 . 1 . . . . 62 ARG HG3 . 11323 1 658 . 1 1 62 62 ARG C C 13 176.467 0.300 . 1 . . . . 62 ARG C . 11323 1 659 . 1 1 62 62 ARG CA C 13 56.385 0.300 . 1 . . . . 62 ARG CA . 11323 1 660 . 1 1 62 62 ARG CB C 13 30.457 0.300 . 1 . . . . 62 ARG CB . 11323 1 661 . 1 1 62 62 ARG CD C 13 43.365 0.300 . 1 . . . . 62 ARG CD . 11323 1 662 . 1 1 62 62 ARG CG C 13 26.985 0.300 . 1 . . . . 62 ARG CG . 11323 1 663 . 1 1 62 62 ARG N N 15 121.377 0.300 . 1 . . . . 62 ARG N . 11323 1 664 . 1 1 63 63 ALA H H 1 8.249 0.030 . 1 . . . . 63 ALA H . 11323 1 665 . 1 1 63 63 ALA HA H 1 4.269 0.030 . 1 . . . . 63 ALA HA . 11323 1 666 . 1 1 63 63 ALA HB1 H 1 1.399 0.030 . 1 . . . . 63 ALA HB . 11323 1 667 . 1 1 63 63 ALA HB2 H 1 1.399 0.030 . 1 . . . . 63 ALA HB . 11323 1 668 . 1 1 63 63 ALA HB3 H 1 1.399 0.030 . 1 . . . . 63 ALA HB . 11323 1 669 . 1 1 63 63 ALA C C 13 177.994 0.300 . 1 . . . . 63 ALA C . 11323 1 670 . 1 1 63 63 ALA CA C 13 52.826 0.300 . 1 . . . . 63 ALA CA . 11323 1 671 . 1 1 63 63 ALA CB C 13 19.025 0.300 . 1 . . . . 63 ALA CB . 11323 1 672 . 1 1 63 63 ALA N N 15 124.144 0.300 . 1 . . . . 63 ALA N . 11323 1 673 . 1 1 64 64 LYS H H 1 8.191 0.030 . 1 . . . . 64 LYS H . 11323 1 674 . 1 1 64 64 LYS HA H 1 4.340 0.030 . 1 . . . . 64 LYS HA . 11323 1 675 . 1 1 64 64 LYS HB2 H 1 1.762 0.030 . 2 . . . . 64 LYS HB2 . 11323 1 676 . 1 1 64 64 LYS HB3 H 1 1.891 0.030 . 2 . . . . 64 LYS HB3 . 11323 1 677 . 1 1 64 64 LYS HD2 H 1 1.704 0.030 . 1 . . . . 64 LYS HD2 . 11323 1 678 . 1 1 64 64 LYS HD3 H 1 1.704 0.030 . 1 . . . . 64 LYS HD3 . 11323 1 679 . 1 1 64 64 LYS HE2 H 1 2.999 0.030 . 1 . . . . 64 LYS HE2 . 11323 1 680 . 1 1 64 64 LYS HE3 H 1 2.999 0.030 . 1 . . . . 64 LYS HE3 . 11323 1 681 . 1 1 64 64 LYS HG2 H 1 1.435 0.030 . 1 . . . . 64 LYS HG2 . 11323 1 682 . 1 1 64 64 LYS HG3 H 1 1.435 0.030 . 1 . . . . 64 LYS HG3 . 11323 1 683 . 1 1 64 64 LYS C C 13 176.697 0.300 . 1 . . . . 64 LYS C . 11323 1 684 . 1 1 64 64 LYS CA C 13 56.403 0.300 . 1 . . . . 64 LYS CA . 11323 1 685 . 1 1 64 64 LYS CB C 13 32.966 0.300 . 1 . . . . 64 LYS CB . 11323 1 686 . 1 1 64 64 LYS CD C 13 28.970 0.300 . 1 . . . . 64 LYS CD . 11323 1 687 . 1 1 64 64 LYS CE C 13 42.119 0.300 . 1 . . . . 64 LYS CE . 11323 1 688 . 1 1 64 64 LYS CG C 13 24.721 0.300 . 1 . . . . 64 LYS CG . 11323 1 689 . 1 1 64 64 LYS N N 15 120.193 0.300 . 1 . . . . 64 LYS N . 11323 1 690 . 1 1 65 65 SER H H 1 8.241 0.030 . 1 . . . . 65 SER H . 11323 1 691 . 1 1 65 65 SER HA H 1 4.506 0.030 . 1 . . . . 65 SER HA . 11323 1 692 . 1 1 65 65 SER HB2 H 1 3.879 0.030 . 1 . . . . 65 SER HB2 . 11323 1 693 . 1 1 65 65 SER HB3 H 1 3.879 0.030 . 1 . . . . 65 SER HB3 . 11323 1 694 . 1 1 65 65 SER C C 13 174.528 0.300 . 1 . . . . 65 SER C . 11323 1 695 . 1 1 65 65 SER CA C 13 58.340 0.300 . 1 . . . . 65 SER CA . 11323 1 696 . 1 1 65 65 SER CB C 13 64.221 0.300 . 1 . . . . 65 SER CB . 11323 1 697 . 1 1 65 65 SER N N 15 116.554 0.300 . 1 . . . . 65 SER N . 11323 1 698 . 1 1 66 66 GLY H H 1 8.250 0.030 . 1 . . . . 66 GLY H . 11323 1 699 . 1 1 66 66 GLY HA2 H 1 4.134 0.030 . 1 . . . . 66 GLY HA2 . 11323 1 700 . 1 1 66 66 GLY HA3 H 1 4.134 0.030 . 1 . . . . 66 GLY HA3 . 11323 1 701 . 1 1 66 66 GLY C C 13 171.813 0.300 . 1 . . . . 66 GLY C . 11323 1 702 . 1 1 66 66 GLY CA C 13 44.631 0.300 . 1 . . . . 66 GLY CA . 11323 1 703 . 1 1 66 66 GLY N N 15 110.597 0.300 . 1 . . . . 66 GLY N . 11323 1 704 . 1 1 67 67 PRO HA H 1 4.471 0.030 . 1 . . . . 67 PRO HA . 11323 1 705 . 1 1 67 67 PRO HB2 H 1 2.304 0.030 . 2 . . . . 67 PRO HB2 . 11323 1 706 . 1 1 67 67 PRO HB3 H 1 1.985 0.030 . 2 . . . . 67 PRO HB3 . 11323 1 707 . 1 1 67 67 PRO HD2 H 1 3.634 0.030 . 1 . . . . 67 PRO HD2 . 11323 1 708 . 1 1 67 67 PRO HD3 H 1 3.634 0.030 . 1 . . . . 67 PRO HD3 . 11323 1 709 . 1 1 67 67 PRO HG2 H 1 2.012 0.030 . 1 . . . . 67 PRO HG2 . 11323 1 710 . 1 1 67 67 PRO HG3 H 1 2.012 0.030 . 1 . . . . 67 PRO HG3 . 11323 1 711 . 1 1 67 67 PRO C C 13 177.485 0.300 . 1 . . . . 67 PRO C . 11323 1 712 . 1 1 67 67 PRO CA C 13 63.474 0.300 . 1 . . . . 67 PRO CA . 11323 1 713 . 1 1 67 67 PRO CB C 13 32.176 0.300 . 1 . . . . 67 PRO CB . 11323 1 714 . 1 1 67 67 PRO CD C 13 49.768 0.300 . 1 . . . . 67 PRO CD . 11323 1 715 . 1 1 67 67 PRO CG C 13 27.318 0.300 . 1 . . . . 67 PRO CG . 11323 1 716 . 1 1 68 68 SER H H 1 8.522 0.030 . 1 . . . . 68 SER H . 11323 1 717 . 1 1 68 68 SER C C 13 177.485 0.300 . 1 . . . . 68 SER C . 11323 1 718 . 1 1 68 68 SER CA C 13 58.462 0.300 . 1 . . . . 68 SER CA . 11323 1 719 . 1 1 68 68 SER CB C 13 64.116 0.300 . 1 . . . . 68 SER CB . 11323 1 720 . 1 1 68 68 SER N N 15 116.313 0.300 . 1 . . . . 68 SER N . 11323 1 stop_ save_