################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15341 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15341 1 2 '2D 1H-13C HSQC' . . . 15341 1 3 '2D 1H-15N HSQC' . . . 15341 1 4 '2D 1H-13C HSQC (aliph)' . . . 15341 1 5 '3D CBCA(CO)NH' . . . 15341 1 6 '3D HNCACB' . . . 15341 1 7 '3D HBHA(CO)NH' . . . 15341 1 8 '3D HNHA' . . . 15341 1 9 '3D HCCH-TOCSY' . . . 15341 1 10 '3D 1H-15N NOESY' . . . 15341 1 13 '2D 1H-13C HSQC (arom)' . . . 15341 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 9 $AutoAssign . . 15341 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR HA H 1 3.902 0.02 . 1 . . . . . 2 THR HA . 15341 1 2 . 1 1 2 2 THR HB H 1 4.138 0.02 . 1 . . . . . 2 THR HB . 15341 1 3 . 1 1 2 2 THR HG21 H 1 1.273 0.02 . 1 . . . . . 2 THR HG2 . 15341 1 4 . 1 1 2 2 THR HG22 H 1 1.273 0.02 . 1 . . . . . 2 THR HG2 . 15341 1 5 . 1 1 2 2 THR HG23 H 1 1.273 0.02 . 1 . . . . . 2 THR HG2 . 15341 1 6 . 1 1 2 2 THR CA C 13 61.460 0.2 . 1 . . . . . 2 THR CA . 15341 1 7 . 1 1 2 2 THR CB C 13 69.379 0.2 . 1 . . . . . 2 THR CB . 15341 1 8 . 1 1 2 2 THR CG2 C 13 21.614 0.2 . 1 . . . . . 2 THR CG2 . 15341 1 9 . 1 1 3 3 ILE H H 1 8.671 0.02 . 1 . . . . . 3 ILE H . 15341 1 10 . 1 1 3 3 ILE HA H 1 4.166 0.02 . 1 . . . . . 3 ILE HA . 15341 1 11 . 1 1 3 3 ILE HB H 1 1.820 0.02 . 1 . . . . . 3 ILE HB . 15341 1 12 . 1 1 3 3 ILE HD11 H 1 0.835 0.02 . 1 . . . . . 3 ILE HD1 . 15341 1 13 . 1 1 3 3 ILE HD12 H 1 0.835 0.02 . 1 . . . . . 3 ILE HD1 . 15341 1 14 . 1 1 3 3 ILE HD13 H 1 0.835 0.02 . 1 . . . . . 3 ILE HD1 . 15341 1 15 . 1 1 3 3 ILE HG12 H 1 1.171 0.02 . 2 . . . . . 3 ILE HG12 . 15341 1 16 . 1 1 3 3 ILE HG13 H 1 1.460 0.02 . 2 . . . . . 3 ILE HG13 . 15341 1 17 . 1 1 3 3 ILE HG21 H 1 0.878 0.02 . 1 . . . . . 3 ILE HG2 . 15341 1 18 . 1 1 3 3 ILE HG22 H 1 0.878 0.02 . 1 . . . . . 3 ILE HG2 . 15341 1 19 . 1 1 3 3 ILE HG23 H 1 0.878 0.02 . 1 . . . . . 3 ILE HG2 . 15341 1 20 . 1 1 3 3 ILE CA C 13 61.569 0.2 . 1 . . . . . 3 ILE CA . 15341 1 21 . 1 1 3 3 ILE CB C 13 38.770 0.2 . 1 . . . . . 3 ILE CB . 15341 1 22 . 1 1 3 3 ILE CD1 C 13 12.761 0.2 . 1 . . . . . 3 ILE CD1 . 15341 1 23 . 1 1 3 3 ILE CG1 C 13 27.380 0.2 . 1 . . . . . 3 ILE CG1 . 15341 1 24 . 1 1 3 3 ILE CG2 C 13 17.350 0.2 . 1 . . . . . 3 ILE CG2 . 15341 1 25 . 1 1 3 3 ILE N N 15 124.520 0.2 . 1 . . . . . 3 ILE N . 15341 1 26 . 1 1 4 4 GLN H H 1 8.477 0.02 . 1 . . . . . 4 GLN H . 15341 1 27 . 1 1 4 4 GLN HA H 1 4.291 0.02 . 1 . . . . . 4 GLN HA . 15341 1 28 . 1 1 4 4 GLN HB2 H 1 1.964 0.02 . 2 . . . . . 4 GLN HB2 . 15341 1 29 . 1 1 4 4 GLN HB3 H 1 2.022 0.02 . 2 . . . . . 4 GLN HB3 . 15341 1 30 . 1 1 4 4 GLN HE21 H 1 6.850 0.02 . 2 . . . . . 4 GLN HE21 . 15341 1 31 . 1 1 4 4 GLN HE22 H 1 7.567 0.02 . 2 . . . . . 4 GLN HE22 . 15341 1 32 . 1 1 4 4 GLN HG2 H 1 2.334 0.02 . 2 . . . . . 4 GLN HG2 . 15341 1 33 . 1 1 4 4 GLN HG3 H 1 2.022 0.02 . 2 . . . . . 4 GLN HG3 . 15341 1 34 . 1 1 4 4 GLN CA C 13 55.615 0.2 . 1 . . . . . 4 GLN CA . 15341 1 35 . 1 1 4 4 GLN CB C 13 29.590 0.2 . 1 . . . . . 4 GLN CB . 15341 1 36 . 1 1 4 4 GLN CG C 13 33.728 0.2 . 1 . . . . . 4 GLN CG . 15341 1 37 . 1 1 4 4 GLN N N 15 124.855 0.2 . 1 . . . . . 4 GLN N . 15341 1 38 . 1 1 4 4 GLN NE2 N 15 112.742 0.2 . 1 . . . . . 4 GLN NE2 . 15341 1 39 . 1 1 5 5 ALA H H 1 8.334 0.02 . 1 . . . . . 5 ALA H . 15341 1 40 . 1 1 5 5 ALA HA H 1 4.568 0.02 . 1 . . . . . 5 ALA HA . 15341 1 41 . 1 1 5 5 ALA HB1 H 1 1.299 0.02 . 1 . . . . . 5 ALA HB . 15341 1 42 . 1 1 5 5 ALA HB2 H 1 1.299 0.02 . 1 . . . . . 5 ALA HB . 15341 1 43 . 1 1 5 5 ALA HB3 H 1 1.299 0.02 . 1 . . . . . 5 ALA HB . 15341 1 44 . 1 1 5 5 ALA CA C 13 50.464 0.2 . 1 . . . . . 5 ALA CA . 15341 1 45 . 1 1 5 5 ALA CB C 13 18.235 0.2 . 1 . . . . . 5 ALA CB . 15341 1 46 . 1 1 5 5 ALA N N 15 127.159 0.2 . 1 . . . . . 5 ALA N . 15341 1 47 . 1 1 6 6 PRO HA H 1 4.429 0.02 . 1 . . . . . 6 PRO HA . 15341 1 48 . 1 1 6 6 PRO HB2 H 1 2.273 0.02 . 2 . . . . . 6 PRO HB2 . 15341 1 49 . 1 1 6 6 PRO HB3 H 1 1.842 0.02 . 2 . . . . . 6 PRO HB3 . 15341 1 50 . 1 1 6 6 PRO HD2 H 1 3.740 0.02 . 2 . . . . . 6 PRO HD2 . 15341 1 51 . 1 1 6 6 PRO HD3 H 1 3.543 0.02 . 2 . . . . . 6 PRO HD3 . 15341 1 52 . 1 1 6 6 PRO HG2 H 1 1.976 0.02 . 2 . . . . . 6 PRO HG2 . 15341 1 53 . 1 1 6 6 PRO CA C 13 63.072 0.2 . 1 . . . . . 6 PRO CA . 15341 1 54 . 1 1 6 6 PRO CB C 13 32.220 0.2 . 1 . . . . . 6 PRO CB . 15341 1 55 . 1 1 6 6 PRO CD C 13 50.534 0.2 . 1 . . . . . 6 PRO CD . 15341 1 56 . 1 1 6 6 PRO CG C 13 27.503 0.2 . 1 . . . . . 6 PRO CG . 15341 1 57 . 1 1 7 7 GLU H H 1 8.363 0.02 . 1 . . . . . 7 GLU H . 15341 1 58 . 1 1 7 7 GLU HA H 1 4.280 0.02 . 1 . . . . . 7 GLU HA . 15341 1 59 . 1 1 7 7 GLU HB2 H 1 1.926 0.02 . 2 . . . . . 7 GLU HB2 . 15341 1 60 . 1 1 7 7 GLU HG2 H 1 2.268 0.02 . 2 . . . . . 7 GLU HG2 . 15341 1 61 . 1 1 7 7 GLU HG3 H 1 2.209 0.02 . 2 . . . . . 7 GLU HG3 . 15341 1 62 . 1 1 7 7 GLU CA C 13 56.298 0.2 . 1 . . . . . 7 GLU CA . 15341 1 63 . 1 1 7 7 GLU CB C 13 31.415 0.2 . 1 . . . . . 7 GLU CB . 15341 1 64 . 1 1 7 7 GLU CG C 13 36.304 0.2 . 1 . . . . . 7 GLU CG . 15341 1 65 . 1 1 7 7 GLU N N 15 122.629 0.2 . 1 . . . . . 7 GLU N . 15341 1 66 . 1 1 8 8 THR H H 1 8.219 0.02 . 1 . . . . . 8 THR H . 15341 1 67 . 1 1 8 8 THR HA H 1 4.948 0.02 . 1 . . . . . 8 THR HA . 15341 1 68 . 1 1 8 8 THR HB H 1 3.796 0.02 . 1 . . . . . 8 THR HB . 15341 1 69 . 1 1 8 8 THR HG21 H 1 0.939 0.02 . 1 . . . . . 8 THR HG2 . 15341 1 70 . 1 1 8 8 THR HG22 H 1 0.939 0.02 . 1 . . . . . 8 THR HG2 . 15341 1 71 . 1 1 8 8 THR HG23 H 1 0.939 0.02 . 1 . . . . . 8 THR HG2 . 15341 1 72 . 1 1 8 8 THR CA C 13 62.157 0.2 . 1 . . . . . 8 THR CA . 15341 1 73 . 1 1 8 8 THR CB C 13 70.658 0.2 . 1 . . . . . 8 THR CB . 15341 1 74 . 1 1 8 8 THR CG2 C 13 21.764 0.2 . 1 . . . . . 8 THR CG2 . 15341 1 75 . 1 1 8 8 THR N N 15 119.082 0.2 . 1 . . . . . 8 THR N . 15341 1 76 . 1 1 9 9 LYS H H 1 8.885 0.02 . 1 . . . . . 9 LYS H . 15341 1 77 . 1 1 9 9 LYS HA H 1 4.513 0.02 . 1 . . . . . 9 LYS HA . 15341 1 78 . 1 1 9 9 LYS HB2 H 1 1.648 0.02 . 2 . . . . . 9 LYS HB2 . 15341 1 79 . 1 1 9 9 LYS HB3 H 1 1.363 0.02 . 2 . . . . . 9 LYS HB3 . 15341 1 80 . 1 1 9 9 LYS HD2 H 1 1.521 0.02 . 2 . . . . . 9 LYS HD2 . 15341 1 81 . 1 1 9 9 LYS HD3 H 1 1.64 0.02 . 2 . . . . . 9 LYS HD3 . 15341 1 82 . 1 1 9 9 LYS HE2 H 1 2.918 0.02 . 2 . . . . . 9 LYS HE2 . 15341 1 83 . 1 1 9 9 LYS HE3 H 1 2.909 0.02 . 2 . . . . . 9 LYS HE3 . 15341 1 84 . 1 1 9 9 LYS HG2 H 1 1.196 0.02 . 2 . . . . . 9 LYS HG2 . 15341 1 85 . 1 1 9 9 LYS HG3 H 1 1.089 0.02 . 2 . . . . . 9 LYS HG3 . 15341 1 86 . 1 1 9 9 LYS CA C 13 55.062 0.2 . 1 . . . . . 9 LYS CA . 15341 1 87 . 1 1 9 9 LYS CB C 13 35.316 0.2 . 1 . . . . . 9 LYS CB . 15341 1 88 . 1 1 9 9 LYS CD C 13 29.580 0.2 . 1 . . . . . 9 LYS CD . 15341 1 89 . 1 1 9 9 LYS CE C 13 42.443 0.2 . 1 . . . . . 9 LYS CE . 15341 1 90 . 1 1 9 9 LYS CG C 13 25.544 0.2 . 1 . . . . . 9 LYS CG . 15341 1 91 . 1 1 9 9 LYS N N 15 128.038 0.2 . 1 . . . . . 9 LYS N . 15341 1 92 . 1 1 10 10 ILE H H 1 8.550 0.02 . 1 . . . . . 10 ILE H . 15341 1 93 . 1 1 10 10 ILE HA H 1 5.029 0.02 . 1 . . . . . 10 ILE HA . 15341 1 94 . 1 1 10 10 ILE HB H 1 1.829 0.02 . 1 . . . . . 10 ILE HB . 15341 1 95 . 1 1 10 10 ILE HD11 H 1 0.764 0.02 . 1 . . . . . 10 ILE HD1 . 15341 1 96 . 1 1 10 10 ILE HD12 H 1 0.764 0.02 . 1 . . . . . 10 ILE HD1 . 15341 1 97 . 1 1 10 10 ILE HD13 H 1 0.764 0.02 . 1 . . . . . 10 ILE HD1 . 15341 1 98 . 1 1 10 10 ILE HG12 H 1 1.146 0.02 . 2 . . . . . 10 ILE HG12 . 15341 1 99 . 1 1 10 10 ILE HG13 H 1 1.446 0.02 . 2 . . . . . 10 ILE HG13 . 15341 1 100 . 1 1 10 10 ILE HG21 H 1 0.857 0.02 . 1 . . . . . 10 ILE HG2 . 15341 1 101 . 1 1 10 10 ILE HG22 H 1 0.857 0.02 . 1 . . . . . 10 ILE HG2 . 15341 1 102 . 1 1 10 10 ILE HG23 H 1 0.857 0.02 . 1 . . . . . 10 ILE HG2 . 15341 1 103 . 1 1 10 10 ILE CA C 13 59.908 0.2 . 1 . . . . . 10 ILE CA . 15341 1 104 . 1 1 10 10 ILE CB C 13 37.184 0.2 . 1 . . . . . 10 ILE CB . 15341 1 105 . 1 1 10 10 ILE CD1 C 13 12.503 0.2 . 1 . . . . . 10 ILE CD1 . 15341 1 106 . 1 1 10 10 ILE CG1 C 13 27.680 0.2 . 1 . . . . . 10 ILE CG1 . 15341 1 107 . 1 1 10 10 ILE CG2 C 13 17.596 0.2 . 1 . . . . . 10 ILE CG2 . 15341 1 108 . 1 1 10 10 ILE N N 15 124.813 0.2 . 1 . . . . . 10 ILE N . 15341 1 109 . 1 1 11 11 VAL H H 1 9.253 0.02 . 1 . . . . . 11 VAL H . 15341 1 110 . 1 1 11 11 VAL HA H 1 4.97 0.02 . 1 . . . . . 11 VAL HA . 15341 1 111 . 1 1 11 11 VAL HB H 1 2.474 0.02 . 1 . . . . . 11 VAL HB . 15341 1 112 . 1 1 11 11 VAL HG11 H 1 1.108 0.02 . 1 . . . . . 11 VAL HG1 . 15341 1 113 . 1 1 11 11 VAL HG12 H 1 1.108 0.02 . 1 . . . . . 11 VAL HG1 . 15341 1 114 . 1 1 11 11 VAL HG13 H 1 1.108 0.02 . 1 . . . . . 11 VAL HG1 . 15341 1 115 . 1 1 11 11 VAL HG21 H 1 0.912 0.02 . 1 . . . . . 11 VAL HG2 . 15341 1 116 . 1 1 11 11 VAL HG22 H 1 0.912 0.02 . 1 . . . . . 11 VAL HG2 . 15341 1 117 . 1 1 11 11 VAL HG23 H 1 0.912 0.02 . 1 . . . . . 11 VAL HG2 . 15341 1 118 . 1 1 11 11 VAL CA C 13 59.3 0.2 . 1 . . . . . 11 VAL CA . 15341 1 119 . 1 1 11 11 VAL CB C 13 35.7 0.2 . 1 . . . . . 11 VAL CB . 15341 1 120 . 1 1 11 11 VAL CG1 C 13 22.98 0.2 . 1 . . . . . 11 VAL CG1 . 15341 1 121 . 1 1 11 11 VAL CG2 C 13 18.8 0.2 . 1 . . . . . 11 VAL CG2 . 15341 1 122 . 1 1 11 11 VAL N N 15 121.581 0.2 . 1 . . . . . 11 VAL N . 15341 1 123 . 1 1 12 12 ASP H H 1 8.471 0.02 . 1 . . . . . 12 ASP H . 15341 1 124 . 1 1 12 12 ASP HA H 1 4.825 0.02 . 1 . . . . . 12 ASP HA . 15341 1 125 . 1 1 12 12 ASP HB2 H 1 2.860 0.02 . 2 . . . . . 12 ASP HB2 . 15341 1 126 . 1 1 12 12 ASP HB3 H 1 2.608 0.02 . 2 . . . . . 12 ASP HB3 . 15341 1 127 . 1 1 12 12 ASP CA C 13 53.836 0.2 . 1 . . . . . 12 ASP CA . 15341 1 128 . 1 1 12 12 ASP CB C 13 41.671 0.2 . 1 . . . . . 12 ASP CB . 15341 1 129 . 1 1 12 12 ASP N N 15 118.084 0.2 . 1 . . . . . 12 ASP N . 15341 1 130 . 1 1 13 13 LYS H H 1 7.17 0.02 . 1 . . . . . 13 LYS H . 15341 1 131 . 1 1 13 13 LYS HA H 1 4.679 0.02 . 1 . . . . . 13 LYS HA . 15341 1 132 . 1 1 13 13 LYS HB2 H 1 2.012 0.02 . 2 . . . . . 13 LYS HB2 . 15341 1 133 . 1 1 13 13 LYS HB3 H 1 1.788 0.02 . 2 . . . . . 13 LYS HB3 . 15341 1 134 . 1 1 13 13 LYS HD2 H 1 1.784 0.02 . 2 . . . . . 13 LYS HD2 . 15341 1 135 . 1 1 13 13 LYS HD3 H 1 1.794 0.02 . 2 . . . . . 13 LYS HD3 . 15341 1 136 . 1 1 13 13 LYS HE2 H 1 3.085 0.02 . 2 . . . . . 13 LYS HE2 . 15341 1 137 . 1 1 13 13 LYS HE3 H 1 3.071 0.02 . 2 . . . . . 13 LYS HE3 . 15341 1 138 . 1 1 13 13 LYS HG2 H 1 1.475 0.02 . 2 . . . . . 13 LYS HG2 . 15341 1 139 . 1 1 13 13 LYS HG3 H 1 1.522 0.02 . 2 . . . . . 13 LYS HG3 . 15341 1 140 . 1 1 13 13 LYS CA C 13 54.180 0.2 . 1 . . . . . 13 LYS CA . 15341 1 141 . 1 1 13 13 LYS CB C 13 35.890 0.2 . 1 . . . . . 13 LYS CB . 15341 1 142 . 1 1 13 13 LYS CD C 13 29.145 0.2 . 1 . . . . . 13 LYS CD . 15341 1 143 . 1 1 13 13 LYS CE C 13 42.340 0.2 . 1 . . . . . 13 LYS CE . 15341 1 144 . 1 1 13 13 LYS CG C 13 24.479 0.2 . 1 . . . . . 13 LYS CG . 15341 1 145 . 1 1 13 13 LYS N N 15 117.3 0.2 . 1 . . . . . 13 LYS N . 15341 1 146 . 1 1 14 14 SER H H 1 8.254 0.02 . 1 . . . . . 14 SER H . 15341 1 147 . 1 1 14 14 SER HA H 1 4.170 0.02 . 1 . . . . . 14 SER HA . 15341 1 148 . 1 1 14 14 SER HB2 H 1 4.067 0.02 . 2 . . . . . 14 SER HB2 . 15341 1 149 . 1 1 14 14 SER HB3 H 1 3.886 0.02 . 2 . . . . . 14 SER HB3 . 15341 1 150 . 1 1 14 14 SER CA C 13 60.024 0.2 . 1 . . . . . 14 SER CA . 15341 1 151 . 1 1 14 14 SER CB C 13 63.593 0.2 . 1 . . . . . 14 SER CB . 15341 1 152 . 1 1 14 14 SER N N 15 111.308 0.2 . 1 . . . . . 14 SER N . 15341 1 153 . 1 1 15 15 ARG H H 1 7.110 0.02 . 1 . . . . . 15 ARG H . 15341 1 154 . 1 1 15 15 ARG HA H 1 5.297 0.02 . 1 . . . . . 15 ARG HA . 15341 1 155 . 1 1 15 15 ARG HB2 H 1 1.647 0.02 . 2 . . . . . 15 ARG HB2 . 15341 1 156 . 1 1 15 15 ARG HB3 H 1 1.724 0.02 . 2 . . . . . 15 ARG HB3 . 15341 1 157 . 1 1 15 15 ARG HD2 H 1 3.023 0.02 . 2 . . . . . 15 ARG HD2 . 15341 1 158 . 1 1 15 15 ARG HD3 H 1 2.945 0.02 . 2 . . . . . 15 ARG HD3 . 15341 1 159 . 1 1 15 15 ARG HG2 H 1 1.52 0.02 . 2 . . . . . 15 ARG HG2 . 15341 1 160 . 1 1 15 15 ARG HG3 H 1 1.59 0.02 . 2 . . . . . 15 ARG HG3 . 15341 1 161 . 1 1 15 15 ARG CA C 13 55.163 0.2 . 1 . . . . . 15 ARG CA . 15341 1 162 . 1 1 15 15 ARG CB C 13 31.260 0.2 . 1 . . . . . 15 ARG CB . 15341 1 163 . 1 1 15 15 ARG CD C 13 43.288 0.2 . 1 . . . . . 15 ARG CD . 15341 1 164 . 1 1 15 15 ARG CG C 13 28.233 0.2 . 1 . . . . . 15 ARG CG . 15341 1 165 . 1 1 15 15 ARG N N 15 121.362 0.2 . 1 . . . . . 15 ARG N . 15341 1 166 . 1 1 16 16 VAL H H 1 8.809 0.02 . 1 . . . . . 16 VAL H . 15341 1 167 . 1 1 16 16 VAL HA H 1 4.45 0.02 . 1 . . . . . 16 VAL HA . 15341 1 168 . 1 1 16 16 VAL HB H 1 1.66 0.02 . 1 . . . . . 16 VAL HB . 15341 1 169 . 1 1 16 16 VAL HG11 H 1 0.35 0.02 . 1 . . . . . 16 VAL HG1 . 15341 1 170 . 1 1 16 16 VAL HG12 H 1 0.35 0.02 . 1 . . . . . 16 VAL HG1 . 15341 1 171 . 1 1 16 16 VAL HG13 H 1 0.35 0.02 . 1 . . . . . 16 VAL HG1 . 15341 1 172 . 1 1 16 16 VAL HG21 H 1 0.454 0.02 . 1 . . . . . 16 VAL HG2 . 15341 1 173 . 1 1 16 16 VAL HG22 H 1 0.454 0.02 . 1 . . . . . 16 VAL HG2 . 15341 1 174 . 1 1 16 16 VAL HG23 H 1 0.454 0.02 . 1 . . . . . 16 VAL HG2 . 15341 1 175 . 1 1 16 16 VAL CA C 13 59.6 0.2 . 1 . . . . . 16 VAL CA . 15341 1 176 . 1 1 16 16 VAL CB C 13 35.8 0.2 . 1 . . . . . 16 VAL CB . 15341 1 177 . 1 1 16 16 VAL CG1 C 13 20.0 0.2 . 1 . . . . . 16 VAL CG1 . 15341 1 178 . 1 1 16 16 VAL CG2 C 13 20.15 0.2 . 1 . . . . . 16 VAL CG2 . 15341 1 179 . 1 1 16 16 VAL N N 15 124.300 0.2 . 1 . . . . . 16 VAL N . 15341 1 180 . 1 1 17 17 ALA H H 1 8.009 0.02 . 1 . . . . . 17 ALA H . 15341 1 181 . 1 1 17 17 ALA HA H 1 4.322 0.02 . 1 . . . . . 17 ALA HA . 15341 1 182 . 1 1 17 17 ALA HB1 H 1 -0.186 0.02 . 1 . . . . . 17 ALA HB . 15341 1 183 . 1 1 17 17 ALA HB2 H 1 -0.186 0.02 . 1 . . . . . 17 ALA HB . 15341 1 184 . 1 1 17 17 ALA HB3 H 1 -0.186 0.02 . 1 . . . . . 17 ALA HB . 15341 1 185 . 1 1 17 17 ALA CA C 13 49.691 0.2 . 1 . . . . . 17 ALA CA . 15341 1 186 . 1 1 17 17 ALA CB C 13 17.652 0.2 . 1 . . . . . 17 ALA CB . 15341 1 187 . 1 1 17 17 ALA N N 15 127.911 0.2 . 1 . . . . . 17 ALA N . 15341 1 188 . 1 1 18 18 CYS H H 1 8.814 0.02 . 1 . . . . . 18 CYS H . 15341 1 189 . 1 1 18 18 CYS HA H 1 4.492 0.02 . 1 . . . . . 18 CYS HA . 15341 1 190 . 1 1 18 18 CYS HB2 H 1 3.210 0.02 . 2 . . . . . 18 CYS HB2 . 15341 1 191 . 1 1 18 18 CYS HB3 H 1 2.473 0.02 . 2 . . . . . 18 CYS HB3 . 15341 1 192 . 1 1 18 18 CYS CA C 13 59.650 0.2 . 1 . . . . . 18 CYS CA . 15341 1 193 . 1 1 18 18 CYS CB C 13 31.882 0.2 . 1 . . . . . 18 CYS CB . 15341 1 194 . 1 1 18 18 CYS N N 15 123.363 0.2 . 1 . . . . . 18 CYS N . 15341 1 195 . 1 1 19 19 ASP H H 1 8.528 0.02 . 1 . . . . . 19 ASP H . 15341 1 196 . 1 1 19 19 ASP HA H 1 4.489 0.02 . 1 . . . . . 19 ASP HA . 15341 1 197 . 1 1 19 19 ASP HB2 H 1 2.73 0.02 . 2 . . . . . 19 ASP HB2 . 15341 1 198 . 1 1 19 19 ASP HB3 H 1 2.35 0.02 . 2 . . . . . 19 ASP HB3 . 15341 1 199 . 1 1 19 19 ASP CA C 13 53.107 0.2 . 1 . . . . . 19 ASP CA . 15341 1 200 . 1 1 19 19 ASP CB C 13 42.346 0.2 . 1 . . . . . 19 ASP CB . 15341 1 201 . 1 1 19 19 ASP N N 15 128.758 0.2 . 1 . . . . . 19 ASP N . 15341 1 202 . 1 1 20 20 GLY H H 1 9.037 0.02 . 1 . . . . . 20 GLY H . 15341 1 203 . 1 1 20 20 GLY HA2 H 1 4.079 0.02 . 2 . . . . . 20 GLY HA2 . 15341 1 204 . 1 1 20 20 GLY HA3 H 1 3.906 0.02 . 2 . . . . . 20 GLY HA3 . 15341 1 205 . 1 1 20 20 GLY CA C 13 45.894 0.2 . 1 . . . . . 20 GLY CA . 15341 1 206 . 1 1 20 20 GLY N N 15 115.047 0.2 . 1 . . . . . 20 GLY N . 15341 1 207 . 1 1 21 21 GLY H H 1 7.336 0.02 . 1 . . . . . 21 GLY H . 15341 1 208 . 1 1 21 21 GLY HA2 H 1 4.246 0.02 . 2 . . . . . 21 GLY HA2 . 15341 1 209 . 1 1 21 21 GLY HA3 H 1 3.612 0.02 . 2 . . . . . 21 GLY HA3 . 15341 1 210 . 1 1 21 21 GLY CA C 13 44.222 0.2 . 1 . . . . . 21 GLY CA . 15341 1 211 . 1 1 21 21 GLY N N 15 109.000 0.2 . 1 . . . . . 21 GLY N . 15341 1 212 . 1 1 22 22 GLU H H 1 8.359 0.02 . 1 . . . . . 22 GLU H . 15341 1 213 . 1 1 22 22 GLU HA H 1 4.192 0.02 . 1 . . . . . 22 GLU HA . 15341 1 214 . 1 1 22 22 GLU HB2 H 1 1.87 0.02 . 2 . . . . . 22 GLU HB2 . 15341 1 215 . 1 1 22 22 GLU HB3 H 1 1.98 0.02 . 2 . . . . . 22 GLU HB3 . 15341 1 216 . 1 1 22 22 GLU HG2 H 1 2.25 0.02 . 2 . . . . . 22 GLU HG2 . 15341 1 217 . 1 1 22 22 GLU HG3 H 1 2.25 0.02 . 2 . . . . . 22 GLU HG3 . 15341 1 218 . 1 1 22 22 GLU CA C 13 56.20 0.2 . 1 . . . . . 22 GLU CA . 15341 1 219 . 1 1 22 22 GLU CB C 13 30.746 0.2 . 1 . . . . . 22 GLU CB . 15341 1 220 . 1 1 22 22 GLU CG C 13 36.2 0.2 . 1 . . . . . 22 GLU CG . 15341 1 221 . 1 1 22 22 GLU N N 15 118.322 0.2 . 1 . . . . . 22 GLU N . 15341 1 222 . 1 1 23 23 GLY H H 1 8.809 0.02 . 1 . . . . . 23 GLY H . 15341 1 223 . 1 1 23 23 GLY HA2 H 1 3.780 0.02 . 2 . . . . . 23 GLY HA2 . 15341 1 224 . 1 1 23 23 GLY HA3 H 1 3.835 0.02 . 2 . . . . . 23 GLY HA3 . 15341 1 225 . 1 1 23 23 GLY CA C 13 46.688 0.2 . 1 . . . . . 23 GLY CA . 15341 1 226 . 1 1 23 23 GLY N N 15 111.934 0.2 . 1 . . . . . 23 GLY N . 15341 1 227 . 1 1 24 24 ALA H H 1 8.995 0.02 . 1 . . . . . 24 ALA H . 15341 1 228 . 1 1 24 24 ALA HA H 1 4.246 0.02 . 1 . . . . . 24 ALA HA . 15341 1 229 . 1 1 24 24 ALA HB1 H 1 1.455 0.02 . 1 . . . . . 24 ALA HB . 15341 1 230 . 1 1 24 24 ALA HB2 H 1 1.455 0.02 . 1 . . . . . 24 ALA HB . 15341 1 231 . 1 1 24 24 ALA HB3 H 1 1.455 0.02 . 1 . . . . . 24 ALA HB . 15341 1 232 . 1 1 24 24 ALA CA C 13 53.645 0.2 . 1 . . . . . 24 ALA CA . 15341 1 233 . 1 1 24 24 ALA CB C 13 18.641 0.2 . 1 . . . . . 24 ALA CB . 15341 1 234 . 1 1 24 24 ALA N N 15 129.183 0.2 . 1 . . . . . 24 ALA N . 15341 1 235 . 1 1 25 25 LEU H H 1 7.780 0.02 . 1 . . . . . 25 LEU H . 15341 1 236 . 1 1 25 25 LEU HA H 1 4.407 0.02 . 1 . . . . . 25 LEU HA . 15341 1 237 . 1 1 25 25 LEU HB2 H 1 1.711 0.02 . 2 . . . . . 25 LEU HB2 . 15341 1 238 . 1 1 25 25 LEU HB3 H 1 1.711 0.02 . 2 . . . . . 25 LEU HB3 . 15341 1 239 . 1 1 25 25 LEU HD11 H 1 0.975 0.02 . 1 . . . . . 25 LEU HD1 . 15341 1 240 . 1 1 25 25 LEU HD12 H 1 0.975 0.02 . 1 . . . . . 25 LEU HD1 . 15341 1 241 . 1 1 25 25 LEU HD13 H 1 0.975 0.02 . 1 . . . . . 25 LEU HD1 . 15341 1 242 . 1 1 25 25 LEU HD21 H 1 0.888 0.02 . 1 . . . . . 25 LEU HD2 . 15341 1 243 . 1 1 25 25 LEU HD22 H 1 0.888 0.02 . 1 . . . . . 25 LEU HD2 . 15341 1 244 . 1 1 25 25 LEU HD23 H 1 0.888 0.02 . 1 . . . . . 25 LEU HD2 . 15341 1 245 . 1 1 25 25 LEU HG H 1 1.685 0.02 . 1 . . . . . 25 LEU HG . 15341 1 246 . 1 1 25 25 LEU CA C 13 54.551 0.2 . 1 . . . . . 25 LEU CA . 15341 1 247 . 1 1 25 25 LEU CB C 13 41.305 0.2 . 1 . . . . . 25 LEU CB . 15341 1 248 . 1 1 25 25 LEU CD1 C 13 25.345 0.2 . 1 . . . . . 25 LEU CD1 . 15341 1 249 . 1 1 25 25 LEU CD2 C 13 22.645 0.2 . 1 . . . . . 25 LEU CD2 . 15341 1 250 . 1 1 25 25 LEU CG C 13 27.314 0.2 . 1 . . . . . 25 LEU CG . 15341 1 251 . 1 1 25 25 LEU N N 15 116.850 0.2 . 1 . . . . . 25 LEU N . 15341 1 252 . 1 1 26 26 GLY H H 1 7.808 0.02 . 1 . . . . . 26 GLY H . 15341 1 253 . 1 1 26 26 GLY HA2 H 1 4.313 0.02 . 2 . . . . . 26 GLY HA2 . 15341 1 254 . 1 1 26 26 GLY HA3 H 1 3.685 0.02 . 2 . . . . . 26 GLY HA3 . 15341 1 255 . 1 1 26 26 GLY CA C 13 45.895 0.2 . 1 . . . . . 26 GLY CA . 15341 1 256 . 1 1 26 26 GLY N N 15 110.392 0.2 . 1 . . . . . 26 GLY N . 15341 1 257 . 1 1 27 27 HIS H H 1 7.626 0.02 . 1 . . . . . 27 HIS H . 15341 1 258 . 1 1 27 27 HIS HA H 1 4.999 0.02 . 1 . . . . . 27 HIS HA . 15341 1 259 . 1 1 27 27 HIS HB2 H 1 2.794 0.02 . 2 . . . . . 27 HIS HB2 . 15341 1 260 . 1 1 27 27 HIS HB3 H 1 3.018 0.02 . 2 . . . . . 27 HIS HB3 . 15341 1 261 . 1 1 27 27 HIS HD2 H 1 7.11 0.02 . 1 . . . . . 27 HIS HD2 . 15341 1 262 . 1 1 27 27 HIS HE1 H 1 6.94 0.02 . 1 . . . . . 27 HIS HE1 . 15341 1 263 . 1 1 27 27 HIS CA C 13 53.604 0.2 . 1 . . . . . 27 HIS CA . 15341 1 264 . 1 1 27 27 HIS CB C 13 28.333 0.2 . 1 . . . . . 27 HIS CB . 15341 1 265 . 1 1 27 27 HIS CD2 C 13 119.3 0.2 . 1 . . . . . 27 HIS CD2 . 15341 1 266 . 1 1 27 27 HIS CE1 C 13 129.2 0.2 . 1 . . . . . 27 HIS CE1 . 15341 1 267 . 1 1 27 27 HIS N N 15 118.046 0.2 . 1 . . . . . 27 HIS N . 15341 1 268 . 1 1 28 28 PRO HA H 1 4.270 0.02 . 1 . . . . . 28 PRO HA . 15341 1 269 . 1 1 28 28 PRO HB2 H 1 2.315 0.02 . 2 . . . . . 28 PRO HB2 . 15341 1 270 . 1 1 28 28 PRO HB3 H 1 1.710 0.02 . 2 . . . . . 28 PRO HB3 . 15341 1 271 . 1 1 28 28 PRO HD2 H 1 3.745 0.02 . 2 . . . . . 28 PRO HD2 . 15341 1 272 . 1 1 28 28 PRO HD3 H 1 3.270 0.02 . 2 . . . . . 28 PRO HD3 . 15341 1 273 . 1 1 28 28 PRO HG2 H 1 1.994 0.02 . 2 . . . . . 28 PRO HG2 . 15341 1 274 . 1 1 28 28 PRO HG3 H 1 1.879 0.02 . 2 . . . . . 28 PRO HG3 . 15341 1 275 . 1 1 28 28 PRO CA C 13 63.293 0.2 . 1 . . . . . 28 PRO CA . 15341 1 276 . 1 1 28 28 PRO CB C 13 31.916 0.2 . 1 . . . . . 28 PRO CB . 15341 1 277 . 1 1 28 28 PRO CD C 13 50.895 0.2 . 1 . . . . . 28 PRO CD . 15341 1 278 . 1 1 28 28 PRO CG C 13 28.1 0.2 . 1 . . . . . 28 PRO CG . 15341 1 279 . 1 1 29 29 ARG H H 1 8.464 0.02 . 1 . . . . . 29 ARG H . 15341 1 280 . 1 1 29 29 ARG HA H 1 4.35 0.02 . 1 . . . . . 29 ARG HA . 15341 1 281 . 1 1 29 29 ARG HB2 H 1 1.56 0.02 . 2 . . . . . 29 ARG HB2 . 15341 1 282 . 1 1 29 29 ARG HB3 H 1 1.86 0.02 . 2 . . . . . 29 ARG HB3 . 15341 1 283 . 1 1 29 29 ARG HD2 H 1 2.48 0.02 . 2 . . . . . 29 ARG HD2 . 15341 1 284 . 1 1 29 29 ARG HD3 H 1 2.85 0.02 . 2 . . . . . 29 ARG HD3 . 15341 1 285 . 1 1 29 29 ARG HE H 1 8.638 0.02 . 1 . . . . . 29 ARG HE . 15341 1 286 . 1 1 29 29 ARG HG2 H 1 0.74 0.02 . 2 . . . . . 29 ARG HG2 . 15341 1 287 . 1 1 29 29 ARG HG3 H 1 0.87 0.02 . 2 . . . . . 29 ARG HG3 . 15341 1 288 . 1 1 29 29 ARG CA C 13 58.043 0.2 . 1 . . . . . 29 ARG CA . 15341 1 289 . 1 1 29 29 ARG CB C 13 30.269 0.2 . 1 . . . . . 29 ARG CB . 15341 1 290 . 1 1 29 29 ARG CD C 13 43.08 0.2 . 1 . . . . . 29 ARG CD . 15341 1 291 . 1 1 29 29 ARG CG C 13 26.5 0.2 . 1 . . . . . 29 ARG CG . 15341 1 292 . 1 1 29 29 ARG N N 15 125.844 0.2 . 1 . . . . . 29 ARG N . 15341 1 293 . 1 1 29 29 ARG NE N 15 85.26 0.2 . 1 . . . . . 29 ARG NE . 15341 1 294 . 1 1 30 30 VAL H H 1 8.472 0.02 . 1 . . . . . 30 VAL H . 15341 1 295 . 1 1 30 30 VAL HA H 1 4.54 0.02 . 1 . . . . . 30 VAL HA . 15341 1 296 . 1 1 30 30 VAL HB H 1 2.15 0.02 . 1 . . . . . 30 VAL HB . 15341 1 297 . 1 1 30 30 VAL HG11 H 1 1.08 0.02 . 2 . . . . . 30 VAL HG1 . 15341 1 298 . 1 1 30 30 VAL HG12 H 1 1.08 0.02 . 2 . . . . . 30 VAL HG1 . 15341 1 299 . 1 1 30 30 VAL HG13 H 1 1.08 0.02 . 2 . . . . . 30 VAL HG1 . 15341 1 300 . 1 1 30 30 VAL HG21 H 1 1.12 0.02 . 2 . . . . . 30 VAL HG2 . 15341 1 301 . 1 1 30 30 VAL HG22 H 1 1.12 0.02 . 2 . . . . . 30 VAL HG2 . 15341 1 302 . 1 1 30 30 VAL HG23 H 1 1.12 0.02 . 2 . . . . . 30 VAL HG2 . 15341 1 303 . 1 1 30 30 VAL CA C 13 59.5 0.2 . 1 . . . . . 30 VAL CA . 15341 1 304 . 1 1 30 30 VAL CB C 13 35.7 0.2 . 1 . . . . . 30 VAL CB . 15341 1 305 . 1 1 30 30 VAL CG1 C 13 21.3 0.2 . 2 . . . . . 30 VAL CG1 . 15341 1 306 . 1 1 30 30 VAL CG2 C 13 21.8 0.2 . 2 . . . . . 30 VAL CG2 . 15341 1 307 . 1 1 30 30 VAL N N 15 125.322 0.2 . 1 . . . . . 30 VAL N . 15341 1 308 . 1 1 31 31 TRP H H 1 8.648 0.02 . 1 . . . . . 31 TRP H . 15341 1 309 . 1 1 31 31 TRP HA H 1 4.864 0.02 . 1 . . . . . 31 TRP HA . 15341 1 310 . 1 1 31 31 TRP HB2 H 1 2.89 0.02 . 2 . . . . . 31 TRP HB2 . 15341 1 311 . 1 1 31 31 TRP HB3 H 1 2.99 0.02 . 2 . . . . . 31 TRP HB3 . 15341 1 312 . 1 1 31 31 TRP HD1 H 1 7.17 0.02 . 1 . . . . . 31 TRP HD1 . 15341 1 313 . 1 1 31 31 TRP HE1 H 1 9.996 0.02 . 1 . . . . . 31 TRP HE1 . 15341 1 314 . 1 1 31 31 TRP HE3 H 1 7.18 0.02 . 1 . . . . . 31 TRP HE3 . 15341 1 315 . 1 1 31 31 TRP HH2 H 1 7.14 0.02 . 1 . . . . . 31 TRP HH2 . 15341 1 316 . 1 1 31 31 TRP HZ2 H 1 7.43 0.02 . 1 . . . . . 31 TRP HZ2 . 15341 1 317 . 1 1 31 31 TRP HZ3 H 1 6.85 0.02 . 1 . . . . . 31 TRP HZ3 . 15341 1 318 . 1 1 31 31 TRP CA C 13 56.885 0.2 . 1 . . . . . 31 TRP CA . 15341 1 319 . 1 1 31 31 TRP CB C 13 29.922 0.2 . 1 . . . . . 31 TRP CB . 15341 1 320 . 1 1 31 31 TRP CD1 C 13 126.6 0.2 . 1 . . . . . 31 TRP CD1 . 15341 1 321 . 1 1 31 31 TRP CE3 C 13 120.2 0.2 . 1 . . . . . 31 TRP CE3 . 15341 1 322 . 1 1 31 31 TRP CH2 C 13 124.5 0.2 . 1 . . . . . 31 TRP CH2 . 15341 1 323 . 1 1 31 31 TRP CZ2 C 13 114.3 0.2 . 1 . . . . . 31 TRP CZ2 . 15341 1 324 . 1 1 31 31 TRP CZ3 C 13 122.1 0.2 . 1 . . . . . 31 TRP CZ3 . 15341 1 325 . 1 1 31 31 TRP N N 15 125.162 0.2 . 1 . . . . . 31 TRP N . 15341 1 326 . 1 1 31 31 TRP NE1 N 15 127.7 0.2 . 1 . . . . . 31 TRP NE1 . 15341 1 327 . 1 1 32 32 LEU H H 1 9.634 0.02 . 1 . . . . . 32 LEU H . 15341 1 328 . 1 1 32 32 LEU HA H 1 4.701 0.02 . 1 . . . . . 32 LEU HA . 15341 1 329 . 1 1 32 32 LEU HB2 H 1 1.563 0.02 . 2 . . . . . 32 LEU HB2 . 15341 1 330 . 1 1 32 32 LEU HB3 H 1 1.237 0.02 . 2 . . . . . 32 LEU HB3 . 15341 1 331 . 1 1 32 32 LEU HD11 H 1 0.969 0.02 . 1 . . . . . 32 LEU HD1 . 15341 1 332 . 1 1 32 32 LEU HD12 H 1 0.969 0.02 . 1 . . . . . 32 LEU HD1 . 15341 1 333 . 1 1 32 32 LEU HD13 H 1 0.969 0.02 . 1 . . . . . 32 LEU HD1 . 15341 1 334 . 1 1 32 32 LEU HD21 H 1 0.712 0.02 . 1 . . . . . 32 LEU HD2 . 15341 1 335 . 1 1 32 32 LEU HD22 H 1 0.712 0.02 . 1 . . . . . 32 LEU HD2 . 15341 1 336 . 1 1 32 32 LEU HD23 H 1 0.712 0.02 . 1 . . . . . 32 LEU HD2 . 15341 1 337 . 1 1 32 32 LEU HG H 1 1.577 0.02 . 1 . . . . . 32 LEU HG . 15341 1 338 . 1 1 32 32 LEU CA C 13 53.078 0.2 . 1 . . . . . 32 LEU CA . 15341 1 339 . 1 1 32 32 LEU CB C 13 44.467 0.2 . 1 . . . . . 32 LEU CB . 15341 1 340 . 1 1 32 32 LEU CD1 C 13 23.748 0.2 . 1 . . . . . 32 LEU CD1 . 15341 1 341 . 1 1 32 32 LEU CD2 C 13 26.643 0.2 . 1 . . . . . 32 LEU CD2 . 15341 1 342 . 1 1 32 32 LEU CG C 13 26.610 0.2 . 1 . . . . . 32 LEU CG . 15341 1 343 . 1 1 32 32 LEU N N 15 125.975 0.2 . 1 . . . . . 32 LEU N . 15341 1 344 . 1 1 33 33 GLN H H 1 8.446 0.02 . 1 . . . . . 33 GLN H . 15341 1 345 . 1 1 33 33 GLN HA H 1 5.027 0.02 . 1 . . . . . 33 GLN HA . 15341 1 346 . 1 1 33 33 GLN HB2 H 1 1.876 0.02 . 2 . . . . . 33 GLN HB2 . 15341 1 347 . 1 1 33 33 GLN HB3 H 1 1.985 0.02 . 2 . . . . . 33 GLN HB3 . 15341 1 348 . 1 1 33 33 GLN HE21 H 1 6.795 0.02 . 2 . . . . . 33 GLN HE21 . 15341 1 349 . 1 1 33 33 GLN HE22 H 1 7.534 0.02 . 2 . . . . . 33 GLN HE22 . 15341 1 350 . 1 1 33 33 GLN HG2 H 1 2.050 0.02 . 2 . . . . . 33 GLN HG2 . 15341 1 351 . 1 1 33 33 GLN HG3 H 1 2.225 0.02 . 2 . . . . . 33 GLN HG3 . 15341 1 352 . 1 1 33 33 GLN CA C 13 53.279 0.2 . 1 . . . . . 33 GLN CA . 15341 1 353 . 1 1 33 33 GLN CB C 13 30.512 0.2 . 1 . . . . . 33 GLN CB . 15341 1 354 . 1 1 33 33 GLN CG C 13 33.662 0.2 . 1 . . . . . 33 GLN CG . 15341 1 355 . 1 1 33 33 GLN N N 15 121.000 0.2 . 1 . . . . . 33 GLN N . 15341 1 356 . 1 1 33 33 GLN NE2 N 15 112.237 0.2 . 1 . . . . . 33 GLN NE2 . 15341 1 357 . 1 1 34 34 ILE H H 1 9.377 0.02 . 1 . . . . . 34 ILE H . 15341 1 358 . 1 1 34 34 ILE HA H 1 3.900 0.02 . 1 . . . . . 34 ILE HA . 15341 1 359 . 1 1 34 34 ILE HB H 1 1.666 0.02 . 1 . . . . . 34 ILE HB . 15341 1 360 . 1 1 34 34 ILE HD11 H 1 0.719 0.02 . 1 . . . . . 34 ILE HD1 . 15341 1 361 . 1 1 34 34 ILE HD12 H 1 0.719 0.02 . 1 . . . . . 34 ILE HD1 . 15341 1 362 . 1 1 34 34 ILE HD13 H 1 0.719 0.02 . 1 . . . . . 34 ILE HD1 . 15341 1 363 . 1 1 34 34 ILE HG12 H 1 0.731 0.02 . 2 . . . . . 34 ILE HG12 . 15341 1 364 . 1 1 34 34 ILE HG13 H 1 1.595 0.02 . 2 . . . . . 34 ILE HG13 . 15341 1 365 . 1 1 34 34 ILE HG21 H 1 0.629 0.02 . 1 . . . . . 34 ILE HG2 . 15341 1 366 . 1 1 34 34 ILE HG22 H 1 0.629 0.02 . 1 . . . . . 34 ILE HG2 . 15341 1 367 . 1 1 34 34 ILE HG23 H 1 0.629 0.02 . 1 . . . . . 34 ILE HG2 . 15341 1 368 . 1 1 34 34 ILE CA C 13 60.335 0.2 . 1 . . . . . 34 ILE CA . 15341 1 369 . 1 1 34 34 ILE CB C 13 38.613 0.2 . 1 . . . . . 34 ILE CB . 15341 1 370 . 1 1 34 34 ILE CD1 C 13 14.132 0.2 . 1 . . . . . 34 ILE CD1 . 15341 1 371 . 1 1 34 34 ILE CG1 C 13 28.795 0.2 . 1 . . . . . 34 ILE CG1 . 15341 1 372 . 1 1 34 34 ILE CG2 C 13 16.848 0.2 . 1 . . . . . 34 ILE CG2 . 15341 1 373 . 1 1 34 34 ILE N N 15 128.325 0.2 . 1 . . . . . 34 ILE N . 15341 1 374 . 1 1 35 35 PRO HA H 1 4.471 0.02 . 1 . . . . . 35 PRO HA . 15341 1 375 . 1 1 35 35 PRO HB2 H 1 2.348 0.02 . 2 . . . . . 35 PRO HB2 . 15341 1 376 . 1 1 35 35 PRO HB3 H 1 2.174 0.02 . 2 . . . . . 35 PRO HB3 . 15341 1 377 . 1 1 35 35 PRO HD2 H 1 4.060 0.02 . 2 . . . . . 35 PRO HD2 . 15341 1 378 . 1 1 35 35 PRO HD3 H 1 3.478 0.02 . 2 . . . . . 35 PRO HD3 . 15341 1 379 . 1 1 35 35 PRO HG2 H 1 2.114 0.02 . 2 . . . . . 35 PRO HG2 . 15341 1 380 . 1 1 35 35 PRO HG3 H 1 1.865 0.02 . 2 . . . . . 35 PRO HG3 . 15341 1 381 . 1 1 35 35 PRO CA C 13 62.744 0.2 . 1 . . . . . 35 PRO CA . 15341 1 382 . 1 1 35 35 PRO CB C 13 32.282 0.2 . 1 . . . . . 35 PRO CB . 15341 1 383 . 1 1 35 35 PRO CD C 13 51.517 0.2 . 1 . . . . . 35 PRO CD . 15341 1 384 . 1 1 35 35 PRO CG C 13 27.641 0.2 . 1 . . . . . 35 PRO CG . 15341 1 385 . 1 1 36 36 GLU H H 1 8.971 0.02 . 1 . . . . . 36 GLU H . 15341 1 386 . 1 1 36 36 GLU HA H 1 3.918 0.02 . 1 . . . . . 36 GLU HA . 15341 1 387 . 1 1 36 36 GLU HB2 H 1 2.016 0.02 . 2 . . . . . 36 GLU HB2 . 15341 1 388 . 1 1 36 36 GLU HB3 H 1 2.016 0.02 . 2 . . . . . 36 GLU HB3 . 15341 1 389 . 1 1 36 36 GLU HG2 H 1 2.29 0.02 . 2 . . . . . 36 GLU HG2 . 15341 1 390 . 1 1 36 36 GLU HG3 H 1 2.35 0.02 . 2 . . . . . 36 GLU HG3 . 15341 1 391 . 1 1 36 36 GLU CA C 13 59.030 0.2 . 1 . . . . . 36 GLU CA . 15341 1 392 . 1 1 36 36 GLU CB C 13 29.791 0.2 . 1 . . . . . 36 GLU CB . 15341 1 393 . 1 1 36 36 GLU CG C 13 36.28 0.2 . 1 . . . . . 36 GLU CG . 15341 1 394 . 1 1 36 36 GLU N N 15 124.755 0.2 . 1 . . . . . 36 GLU N . 15341 1 395 . 1 1 37 37 ASP H H 1 8.657 0.02 . 1 . . . . . 37 ASP H . 15341 1 396 . 1 1 37 37 ASP HA H 1 4.421 0.02 . 1 . . . . . 37 ASP HA . 15341 1 397 . 1 1 37 37 ASP HB2 H 1 2.717 0.02 . 2 . . . . . 37 ASP HB2 . 15341 1 398 . 1 1 37 37 ASP HB3 H 1 2.717 0.02 . 2 . . . . . 37 ASP HB3 . 15341 1 399 . 1 1 37 37 ASP CA C 13 55.552 0.2 . 1 . . . . . 37 ASP CA . 15341 1 400 . 1 1 37 37 ASP CB C 13 39.824 0.2 . 1 . . . . . 37 ASP CB . 15341 1 401 . 1 1 37 37 ASP N N 15 114.541 0.2 . 1 . . . . . 37 ASP N . 15341 1 402 . 1 1 38 38 THR H H 1 7.498 0.02 . 1 . . . . . 38 THR H . 15341 1 403 . 1 1 38 38 THR HA H 1 4.415 0.02 . 1 . . . . . 38 THR HA . 15341 1 404 . 1 1 38 38 THR HB H 1 3.945 0.02 . 1 . . . . . 38 THR HB . 15341 1 405 . 1 1 38 38 THR HG21 H 1 0.978 0.02 . 1 . . . . . 38 THR HG2 . 15341 1 406 . 1 1 38 38 THR HG22 H 1 0.978 0.02 . 1 . . . . . 38 THR HG2 . 15341 1 407 . 1 1 38 38 THR HG23 H 1 0.978 0.02 . 1 . . . . . 38 THR HG2 . 15341 1 408 . 1 1 38 38 THR CA C 13 62.748 0.2 . 1 . . . . . 38 THR CA . 15341 1 409 . 1 1 38 38 THR CB C 13 69.280 0.2 . 1 . . . . . 38 THR CB . 15341 1 410 . 1 1 38 38 THR CG2 C 13 21.869 0.2 . 1 . . . . . 38 THR CG2 . 15341 1 411 . 1 1 38 38 THR N N 15 109.405 0.2 . 1 . . . . . 38 THR N . 15341 1 412 . 1 1 39 39 GLY H H 1 7.967 0.02 . 1 . . . . . 39 GLY H . 15341 1 413 . 1 1 39 39 GLY HA2 H 1 4.446 0.02 . 2 . . . . . 39 GLY HA2 . 15341 1 414 . 1 1 39 39 GLY HA3 H 1 3.619 0.02 . 2 . . . . . 39 GLY HA3 . 15341 1 415 . 1 1 39 39 GLY CA C 13 46.428 0.2 . 1 . . . . . 39 GLY CA . 15341 1 416 . 1 1 39 39 GLY N N 15 108.005 0.2 . 1 . . . . . 39 GLY N . 15341 1 417 . 1 1 40 40 TRP H H 1 7.442 0.02 . 1 . . . . . 40 TRP H . 15341 1 418 . 1 1 40 40 TRP HA H 1 5.960 0.02 . 1 . . . . . 40 TRP HA . 15341 1 419 . 1 1 40 40 TRP HB2 H 1 3.028 0.02 . 2 . . . . . 40 TRP HB2 . 15341 1 420 . 1 1 40 40 TRP HB3 H 1 3.148 0.02 . 2 . . . . . 40 TRP HB3 . 15341 1 421 . 1 1 40 40 TRP HD1 H 1 7.07 0.02 . 1 . . . . . 40 TRP HD1 . 15341 1 422 . 1 1 40 40 TRP HE1 H 1 10.39 0.02 . 1 . . . . . 40 TRP HE1 . 15341 1 423 . 1 1 40 40 TRP HE3 H 1 7.125 0.02 . 1 . . . . . 40 TRP HE3 . 15341 1 424 . 1 1 40 40 TRP HH2 H 1 7.21 0.02 . 1 . . . . . 40 TRP HH2 . 15341 1 425 . 1 1 40 40 TRP HZ2 H 1 7.49 0.02 . 1 . . . . . 40 TRP HZ2 . 15341 1 426 . 1 1 40 40 TRP HZ3 H 1 7.03 0.02 . 1 . . . . . 40 TRP HZ3 . 15341 1 427 . 1 1 40 40 TRP CA C 13 54.581 0.2 . 1 . . . . . 40 TRP CA . 15341 1 428 . 1 1 40 40 TRP CB C 13 33.231 0.2 . 1 . . . . . 40 TRP CB . 15341 1 429 . 1 1 40 40 TRP CD1 C 13 128 0.2 . 1 . . . . . 40 TRP CD1 . 15341 1 430 . 1 1 40 40 TRP CE3 C 13 119.6 0.2 . 1 . . . . . 40 TRP CE3 . 15341 1 431 . 1 1 40 40 TRP CH2 C 13 124.5 0.2 . 1 . . . . . 40 TRP CH2 . 15341 1 432 . 1 1 40 40 TRP CZ2 C 13 114.9 0.2 . 1 . . . . . 40 TRP CZ2 . 15341 1 433 . 1 1 40 40 TRP CZ3 C 13 122.1 0.2 . 1 . . . . . 40 TRP CZ3 . 15341 1 434 . 1 1 40 40 TRP N N 15 114.404 0.2 . 1 . . . . . 40 TRP N . 15341 1 435 . 1 1 40 40 TRP NE1 N 15 130.2 0.2 . 1 . . . . . 40 TRP NE1 . 15341 1 436 . 1 1 41 41 VAL H H 1 9.317 0.02 . 1 . . . . . 41 VAL H . 15341 1 437 . 1 1 41 41 VAL HA H 1 4.26 0.02 . 1 . . . . . 41 VAL HA . 15341 1 438 . 1 1 41 41 VAL HB H 1 1.99 0.02 . 1 . . . . . 41 VAL HB . 15341 1 439 . 1 1 41 41 VAL HG11 H 1 1.15 0.02 . 2 . . . . . 41 VAL HG1 . 15341 1 440 . 1 1 41 41 VAL HG12 H 1 1.15 0.02 . 2 . . . . . 41 VAL HG1 . 15341 1 441 . 1 1 41 41 VAL HG13 H 1 1.15 0.02 . 2 . . . . . 41 VAL HG1 . 15341 1 442 . 1 1 41 41 VAL HG21 H 1 0.82 0.02 . 2 . . . . . 41 VAL HG2 . 15341 1 443 . 1 1 41 41 VAL HG22 H 1 0.82 0.02 . 2 . . . . . 41 VAL HG2 . 15341 1 444 . 1 1 41 41 VAL HG23 H 1 0.82 0.02 . 2 . . . . . 41 VAL HG2 . 15341 1 445 . 1 1 41 41 VAL CA C 13 60.9 0.2 . 1 . . . . . 41 VAL CA . 15341 1 446 . 1 1 41 41 VAL CB C 13 36.4 0.2 . 1 . . . . . 41 VAL CB . 15341 1 447 . 1 1 41 41 VAL CG1 C 13 22.1 0.2 . 2 . . . . . 41 VAL CG1 . 15341 1 448 . 1 1 41 41 VAL CG2 C 13 21.75 0.2 . 2 . . . . . 41 VAL CG2 . 15341 1 449 . 1 1 41 41 VAL N N 15 119.203 0.2 . 1 . . . . . 41 VAL N . 15341 1 450 . 1 1 42 42 GLU H H 1 8.635 0.02 . 1 . . . . . 42 GLU H . 15341 1 451 . 1 1 42 42 GLU HA H 1 5.559 0.02 . 1 . . . . . 42 GLU HA . 15341 1 452 . 1 1 42 42 GLU HB2 H 1 2.009 0.02 . 2 . . . . . 42 GLU HB2 . 15341 1 453 . 1 1 42 42 GLU HB3 H 1 1.970 0.02 . 2 . . . . . 42 GLU HB3 . 15341 1 454 . 1 1 42 42 GLU HG2 H 1 2.240 0.02 . 2 . . . . . 42 GLU HG2 . 15341 1 455 . 1 1 42 42 GLU HG3 H 1 2.256 0.02 . 2 . . . . . 42 GLU HG3 . 15341 1 456 . 1 1 42 42 GLU CA C 13 53.676 0.2 . 1 . . . . . 42 GLU CA . 15341 1 457 . 1 1 42 42 GLU CB C 13 32.534 0.2 . 1 . . . . . 42 GLU CB . 15341 1 458 . 1 1 42 42 GLU CG C 13 36.259 0.2 . 1 . . . . . 42 GLU CG . 15341 1 459 . 1 1 42 42 GLU N N 15 125.457 0.2 . 1 . . . . . 42 GLU N . 15341 1 460 . 1 1 43 43 CYS H H 1 9.018 0.02 . 1 . . . . . 43 CYS H . 15341 1 461 . 1 1 43 43 CYS HA H 1 4.71 0.02 . 1 . . . . . 43 CYS HA . 15341 1 462 . 1 1 43 43 CYS HB2 H 1 2.96 0.02 . 2 . . . . . 43 CYS HB2 . 15341 1 463 . 1 1 43 43 CYS HB3 H 1 3.36 0.02 . 2 . . . . . 43 CYS HB3 . 15341 1 464 . 1 1 43 43 CYS CA C 13 56.955 0.2 . 1 . . . . . 43 CYS CA . 15341 1 465 . 1 1 43 43 CYS CB C 13 31.65 0.2 . 1 . . . . . 43 CYS CB . 15341 1 466 . 1 1 43 43 CYS N N 15 127.165 0.2 . 1 . . . . . 43 CYS N . 15341 1 467 . 1 1 44 44 PRO HA H 1 4.455 0.02 . 1 . . . . . 44 PRO HA . 15341 1 468 . 1 1 44 44 PRO HB2 H 1 1.427 0.02 . 2 . . . . . 44 PRO HB2 . 15341 1 469 . 1 1 44 44 PRO HB3 H 1 2.151 0.02 . 2 . . . . . 44 PRO HB3 . 15341 1 470 . 1 1 44 44 PRO HD2 H 1 4.163 0.02 . 2 . . . . . 44 PRO HD2 . 15341 1 471 . 1 1 44 44 PRO HD3 H 1 3.958 0.02 . 2 . . . . . 44 PRO HD3 . 15341 1 472 . 1 1 44 44 PRO HG2 H 1 1.479 0.02 . 2 . . . . . 44 PRO HG2 . 15341 1 473 . 1 1 44 44 PRO HG3 H 1 1.948 0.02 . 2 . . . . . 44 PRO HG3 . 15341 1 474 . 1 1 44 44 PRO CA C 13 64.002 0.2 . 1 . . . . . 44 PRO CA . 15341 1 475 . 1 1 44 44 PRO CB C 13 31.979 0.2 . 1 . . . . . 44 PRO CB . 15341 1 476 . 1 1 44 44 PRO CD C 13 51.526 0.2 . 1 . . . . . 44 PRO CD . 15341 1 477 . 1 1 44 44 PRO CG C 13 26.360 0.2 . 1 . . . . . 44 PRO CG . 15341 1 478 . 1 1 45 45 TYR H H 1 9.205 0.02 . 1 . . . . . 45 TYR H . 15341 1 479 . 1 1 45 45 TYR HA H 1 4.477 0.02 . 1 . . . . . 45 TYR HA . 15341 1 480 . 1 1 45 45 TYR HB2 H 1 2.517 0.02 . 2 . . . . . 45 TYR HB2 . 15341 1 481 . 1 1 45 45 TYR HB3 H 1 1.602 0.02 . 2 . . . . . 45 TYR HB3 . 15341 1 482 . 1 1 45 45 TYR HD1 H 1 6.78 0.02 . 1 . . . . . 45 TYR HD1 . 15341 1 483 . 1 1 45 45 TYR HD2 H 1 6.78 0.02 . 1 . . . . . 45 TYR HD2 . 15341 1 484 . 1 1 45 45 TYR HE1 H 1 6.79 0.02 . 1 . . . . . 45 TYR HE1 . 15341 1 485 . 1 1 45 45 TYR HE2 H 1 6.79 0.02 . 1 . . . . . 45 TYR HE2 . 15341 1 486 . 1 1 45 45 TYR CA C 13 59.357 0.2 . 1 . . . . . 45 TYR CA . 15341 1 487 . 1 1 45 45 TYR CB C 13 38.009 0.2 . 1 . . . . . 45 TYR CB . 15341 1 488 . 1 1 45 45 TYR CD1 C 13 132.4 0.2 . 1 . . . . . 45 TYR CD1 . 15341 1 489 . 1 1 45 45 TYR CD2 C 13 132.4 0.2 . 1 . . . . . 45 TYR CD2 . 15341 1 490 . 1 1 45 45 TYR CE1 C 13 118.2 0.2 . 1 . . . . . 45 TYR CE1 . 15341 1 491 . 1 1 45 45 TYR CE2 C 13 118.2 0.2 . 1 . . . . . 45 TYR CE2 . 15341 1 492 . 1 1 45 45 TYR N N 15 120.751 0.2 . 1 . . . . . 45 TYR N . 15341 1 493 . 1 1 46 46 CYS H H 1 8.097 0.02 . 1 . . . . . 46 CYS H . 15341 1 494 . 1 1 46 46 CYS HA H 1 5.092 0.02 . 1 . . . . . 46 CYS HA . 15341 1 495 . 1 1 46 46 CYS HB2 H 1 3.409 0.02 . 2 . . . . . 46 CYS HB2 . 15341 1 496 . 1 1 46 46 CYS HB3 H 1 3.135 0.02 . 2 . . . . . 46 CYS HB3 . 15341 1 497 . 1 1 46 46 CYS CA C 13 58.497 0.2 . 1 . . . . . 46 CYS CA . 15341 1 498 . 1 1 46 46 CYS CB C 13 32.055 0.2 . 1 . . . . . 46 CYS CB . 15341 1 499 . 1 1 46 46 CYS N N 15 117.233 0.2 . 1 . . . . . 46 CYS N . 15341 1 500 . 1 1 47 47 ASP H H 1 7.967 0.02 . 1 . . . . . 47 ASP H . 15341 1 501 . 1 1 47 47 ASP HA H 1 4.629 0.02 . 1 . . . . . 47 ASP HA . 15341 1 502 . 1 1 47 47 ASP HB2 H 1 2.964 0.02 . 2 . . . . . 47 ASP HB2 . 15341 1 503 . 1 1 47 47 ASP HB3 H 1 2.991 0.02 . 2 . . . . . 47 ASP HB3 . 15341 1 504 . 1 1 47 47 ASP CA C 13 56.076 0.2 . 1 . . . . . 47 ASP CA . 15341 1 505 . 1 1 47 47 ASP CB C 13 39.369 0.2 . 1 . . . . . 47 ASP CB . 15341 1 506 . 1 1 47 47 ASP N N 15 118.439 0.2 . 1 . . . . . 47 ASP N . 15341 1 507 . 1 1 48 48 CYS H H 1 8.364 0.02 . 1 . . . . . 48 CYS H . 15341 1 508 . 1 1 48 48 CYS HA H 1 4.175 0.02 . 1 . . . . . 48 CYS HA . 15341 1 509 . 1 1 48 48 CYS HB2 H 1 2.985 0.02 . 2 . . . . . 48 CYS HB2 . 15341 1 510 . 1 1 48 48 CYS HB3 H 1 2.608 0.02 . 2 . . . . . 48 CYS HB3 . 15341 1 511 . 1 1 48 48 CYS CA C 13 61.629 0.2 . 1 . . . . . 48 CYS CA . 15341 1 512 . 1 1 48 48 CYS CB C 13 28.528 0.2 . 1 . . . . . 48 CYS CB . 15341 1 513 . 1 1 48 48 CYS N N 15 121.540 0.2 . 1 . . . . . 48 CYS N . 15341 1 514 . 1 1 49 49 LYS H H 1 8.542 0.02 . 1 . . . . . 49 LYS H . 15341 1 515 . 1 1 49 49 LYS HA H 1 4.956 0.02 . 1 . . . . . 49 LYS HA . 15341 1 516 . 1 1 49 49 LYS HB2 H 1 1.865 0.02 . 2 . . . . . 49 LYS HB2 . 15341 1 517 . 1 1 49 49 LYS HB3 H 1 1.780 0.02 . 2 . . . . . 49 LYS HB3 . 15341 1 518 . 1 1 49 49 LYS HD2 H 1 1.280 0.02 . 2 . . . . . 49 LYS HD2 . 15341 1 519 . 1 1 49 49 LYS HD3 H 1 1.280 0.02 . 2 . . . . . 49 LYS HD3 . 15341 1 520 . 1 1 49 49 LYS HE2 H 1 2.30 0.02 . 2 . . . . . 49 LYS HE2 . 15341 1 521 . 1 1 49 49 LYS HE3 H 1 2.30 0.02 . 2 . . . . . 49 LYS HE3 . 15341 1 522 . 1 1 49 49 LYS HG2 H 1 1.229 0.02 . 2 . . . . . 49 LYS HG2 . 15341 1 523 . 1 1 49 49 LYS HG3 H 1 1.393 0.02 . 2 . . . . . 49 LYS HG3 . 15341 1 524 . 1 1 49 49 LYS CA C 13 55.388 0.2 . 1 . . . . . 49 LYS CA . 15341 1 525 . 1 1 49 49 LYS CB C 13 34.179 0.2 . 1 . . . . . 49 LYS CB . 15341 1 526 . 1 1 49 49 LYS CD C 13 29.369 0.2 . 1 . . . . . 49 LYS CD . 15341 1 527 . 1 1 49 49 LYS CE C 13 41.488 0.2 . 1 . . . . . 49 LYS CE . 15341 1 528 . 1 1 49 49 LYS CG C 13 25.986 0.2 . 1 . . . . . 49 LYS CG . 15341 1 529 . 1 1 49 49 LYS N N 15 129.258 0.2 . 1 . . . . . 49 LYS N . 15341 1 530 . 1 1 50 50 TYR H H 1 9.32 0.02 . 1 . . . . . 50 TYR H . 15341 1 531 . 1 1 50 50 TYR HA H 1 5.264 0.02 . 1 . . . . . 50 TYR HA . 15341 1 532 . 1 1 50 50 TYR HB2 H 1 2.67 0.02 . 2 . . . . . 50 TYR HB2 . 15341 1 533 . 1 1 50 50 TYR HB3 H 1 2.782 0.02 . 2 . . . . . 50 TYR HB3 . 15341 1 534 . 1 1 50 50 TYR HD1 H 1 6.897 0.02 . 1 . . . . . 50 TYR HD1 . 15341 1 535 . 1 1 50 50 TYR HD2 H 1 6.897 0.02 . 1 . . . . . 50 TYR HD2 . 15341 1 536 . 1 1 50 50 TYR HE1 H 1 6.67 0.02 . 1 . . . . . 50 TYR HE1 . 15341 1 537 . 1 1 50 50 TYR HE2 H 1 6.67 0.02 . 1 . . . . . 50 TYR HE2 . 15341 1 538 . 1 1 50 50 TYR CA C 13 57.636 0.2 . 1 . . . . . 50 TYR CA . 15341 1 539 . 1 1 50 50 TYR CB C 13 40.412 0.2 . 1 . . . . . 50 TYR CB . 15341 1 540 . 1 1 50 50 TYR CD1 C 13 133.4 0.2 . 1 . . . . . 50 TYR CD1 . 15341 1 541 . 1 1 50 50 TYR CD2 C 13 133.4 0.2 . 1 . . . . . 50 TYR CD2 . 15341 1 542 . 1 1 50 50 TYR CE1 C 13 117.1 0.2 . 1 . . . . . 50 TYR CE1 . 15341 1 543 . 1 1 50 50 TYR CE2 C 13 117.1 0.2 . 1 . . . . . 50 TYR CE2 . 15341 1 544 . 1 1 50 50 TYR N N 15 125.926 0.2 . 1 . . . . . 50 TYR N . 15341 1 545 . 1 1 51 51 VAL H H 1 8.925 0.02 . 1 . . . . . 51 VAL H . 15341 1 546 . 1 1 51 51 VAL HA H 1 4.824 0.02 . 1 . . . . . 51 VAL HA . 15341 1 547 . 1 1 51 51 VAL HB H 1 1.799 0.02 . 1 . . . . . 51 VAL HB . 15341 1 548 . 1 1 51 51 VAL HG11 H 1 0.771 0.02 . 1 . . . . . 51 VAL HG1 . 15341 1 549 . 1 1 51 51 VAL HG12 H 1 0.771 0.02 . 1 . . . . . 51 VAL HG1 . 15341 1 550 . 1 1 51 51 VAL HG13 H 1 0.771 0.02 . 1 . . . . . 51 VAL HG1 . 15341 1 551 . 1 1 51 51 VAL HG21 H 1 0.813 0.02 . 1 . . . . . 51 VAL HG2 . 15341 1 552 . 1 1 51 51 VAL HG22 H 1 0.813 0.02 . 1 . . . . . 51 VAL HG2 . 15341 1 553 . 1 1 51 51 VAL HG23 H 1 0.813 0.02 . 1 . . . . . 51 VAL HG2 . 15341 1 554 . 1 1 51 51 VAL CA C 13 59.968 0.2 . 1 . . . . . 51 VAL CA . 15341 1 555 . 1 1 51 51 VAL CB C 13 35.624 0.2 . 1 . . . . . 51 VAL CB . 15341 1 556 . 1 1 51 51 VAL CG1 C 13 21.0 0.2 . 1 . . . . . 51 VAL CG1 . 15341 1 557 . 1 1 51 51 VAL CG2 C 13 21.9 0.2 . 1 . . . . . 51 VAL CG2 . 15341 1 558 . 1 1 51 51 VAL N N 15 122.631 0.2 . 1 . . . . . 51 VAL N . 15341 1 559 . 1 1 52 52 LEU H H 1 8.771 0.02 . 1 . . . . . 52 LEU H . 15341 1 560 . 1 1 52 52 LEU HA H 1 4.496 0.02 . 1 . . . . . 52 LEU HA . 15341 1 561 . 1 1 52 52 LEU HB2 H 1 1.212 0.02 . 2 . . . . . 52 LEU HB2 . 15341 1 562 . 1 1 52 52 LEU HB3 H 1 1.774 0.02 . 2 . . . . . 52 LEU HB3 . 15341 1 563 . 1 1 52 52 LEU HD11 H 1 0.682 0.02 . 1 . . . . . 52 LEU HD1 . 15341 1 564 . 1 1 52 52 LEU HD12 H 1 0.682 0.02 . 1 . . . . . 52 LEU HD1 . 15341 1 565 . 1 1 52 52 LEU HD13 H 1 0.682 0.02 . 1 . . . . . 52 LEU HD1 . 15341 1 566 . 1 1 52 52 LEU HD21 H 1 0.820 0.02 . 1 . . . . . 52 LEU HD2 . 15341 1 567 . 1 1 52 52 LEU HD22 H 1 0.820 0.02 . 1 . . . . . 52 LEU HD2 . 15341 1 568 . 1 1 52 52 LEU HD23 H 1 0.820 0.02 . 1 . . . . . 52 LEU HD2 . 15341 1 569 . 1 1 52 52 LEU HG H 1 1.567 0.02 . 1 . . . . . 52 LEU HG . 15341 1 570 . 1 1 52 52 LEU CA C 13 54.163 0.2 . 1 . . . . . 52 LEU CA . 15341 1 571 . 1 1 52 52 LEU CB C 13 43.220 0.2 . 1 . . . . . 52 LEU CB . 15341 1 572 . 1 1 52 52 LEU CD1 C 13 23.057 0.2 . 1 . . . . . 52 LEU CD1 . 15341 1 573 . 1 1 52 52 LEU CD2 C 13 26.17 0.2 . 1 . . . . . 52 LEU CD2 . 15341 1 574 . 1 1 52 52 LEU CG C 13 26.212 0.2 . 1 . . . . . 52 LEU CG . 15341 1 575 . 1 1 52 52 LEU N N 15 127.249 0.2 . 1 . . . . . 52 LEU N . 15341 1 576 . 1 1 53 53 LYS H H 1 9.317 0.02 . 1 . . . . . 53 LYS H . 15341 1 577 . 1 1 53 53 LYS HA H 1 4.028 0.02 . 1 . . . . . 53 LYS HA . 15341 1 578 . 1 1 53 53 LYS HB2 H 1 1.628 0.02 . 2 . . . . . 53 LYS HB2 . 15341 1 579 . 1 1 53 53 LYS HB3 H 1 1.739 0.02 . 2 . . . . . 53 LYS HB3 . 15341 1 580 . 1 1 53 53 LYS HD2 H 1 1.267 0.02 . 2 . . . . . 53 LYS HD2 . 15341 1 581 . 1 1 53 53 LYS HD3 H 1 1.267 0.02 . 2 . . . . . 53 LYS HD3 . 15341 1 582 . 1 1 53 53 LYS HE2 H 1 2.92 0.02 . 2 . . . . . 53 LYS HE2 . 15341 1 583 . 1 1 53 53 LYS HE3 H 1 2.92 0.02 . 2 . . . . . 53 LYS HE3 . 15341 1 584 . 1 1 53 53 LYS HG2 H 1 1.32 0.02 . 2 . . . . . 53 LYS HG2 . 15341 1 585 . 1 1 53 53 LYS HG3 H 1 1.39 0.02 . 2 . . . . . 53 LYS HG3 . 15341 1 586 . 1 1 53 53 LYS CA C 13 57.885 0.2 . 1 . . . . . 53 LYS CA . 15341 1 587 . 1 1 53 53 LYS CB C 13 32.819 0.2 . 1 . . . . . 53 LYS CB . 15341 1 588 . 1 1 53 53 LYS CD C 13 29.391 0.2 . 1 . . . . . 53 LYS CD . 15341 1 589 . 1 1 53 53 LYS CE C 13 41.944 0.2 . 1 . . . . . 53 LYS CE . 15341 1 590 . 1 1 53 53 LYS CG C 13 24.359 0.2 . 1 . . . . . 53 LYS CG . 15341 1 591 . 1 1 53 53 LYS N N 15 132.446 0.2 . 1 . . . . . 53 LYS N . 15341 1 592 . 1 1 54 54 GLY H H 1 10.642 0.02 . 1 . . . . . 54 GLY H . 15341 1 593 . 1 1 54 54 GLY HA2 H 1 4.195 0.02 . 2 . . . . . 54 GLY HA2 . 15341 1 594 . 1 1 54 54 GLY HA3 H 1 3.817 0.02 . 2 . . . . . 54 GLY HA3 . 15341 1 595 . 1 1 54 54 GLY CA C 13 45.390 0.2 . 1 . . . . . 54 GLY CA . 15341 1 596 . 1 1 54 54 GLY N N 15 117.440 0.2 . 1 . . . . . 54 GLY N . 15341 1 597 . 1 1 55 55 SER H H 1 7.996 0.02 . 1 . . . . . 55 SER H . 15341 1 598 . 1 1 55 55 SER HA H 1 4.623 0.02 . 1 . . . . . 55 SER HA . 15341 1 599 . 1 1 55 55 SER HB2 H 1 4.405 0.02 . 2 . . . . . 55 SER HB2 . 15341 1 600 . 1 1 55 55 SER HB3 H 1 3.883 0.02 . 2 . . . . . 55 SER HB3 . 15341 1 601 . 1 1 55 55 SER CA C 13 58.553 0.2 . 1 . . . . . 55 SER CA . 15341 1 602 . 1 1 55 55 SER CB C 13 66.037 0.2 . 1 . . . . . 55 SER CB . 15341 1 603 . 1 1 55 55 SER N N 15 115.895 0.2 . 1 . . . . . 55 SER N . 15341 1 604 . 1 1 56 56 LYS H H 1 9.018 0.02 . 1 . . . . . 56 LYS H . 15341 1 605 . 1 1 56 56 LYS HA H 1 4.115 0.02 . 1 . . . . . 56 LYS HA . 15341 1 606 . 1 1 56 56 LYS HB2 H 1 1.869 0.02 . 2 . . . . . 56 LYS HB2 . 15341 1 607 . 1 1 56 56 LYS HB3 H 1 1.869 0.02 . 2 . . . . . 56 LYS HB3 . 15341 1 608 . 1 1 56 56 LYS HD2 H 1 1.869 0.02 . 2 . . . . . 56 LYS HD2 . 15341 1 609 . 1 1 56 56 LYS HD3 H 1 1.869 0.02 . 2 . . . . . 56 LYS HD3 . 15341 1 610 . 1 1 56 56 LYS HE2 H 1 3.04 0.02 . 2 . . . . . 56 LYS HE2 . 15341 1 611 . 1 1 56 56 LYS HE3 H 1 3.04 0.02 . 2 . . . . . 56 LYS HE3 . 15341 1 612 . 1 1 56 56 LYS HG2 H 1 1.495 0.02 . 2 . . . . . 56 LYS HG2 . 15341 1 613 . 1 1 56 56 LYS HG3 H 1 1.535 0.02 . 2 . . . . . 56 LYS HG3 . 15341 1 614 . 1 1 56 56 LYS CA C 13 58.716 0.2 . 1 . . . . . 56 LYS CA . 15341 1 615 . 1 1 56 56 LYS CB C 13 32.311 0.2 . 1 . . . . . 56 LYS CB . 15341 1 616 . 1 1 56 56 LYS CD C 13 29.14 0.2 . 1 . . . . . 56 LYS CD . 15341 1 617 . 1 1 56 56 LYS CE C 13 41.96 0.2 . 1 . . . . . 56 LYS CE . 15341 1 618 . 1 1 56 56 LYS CG C 13 24.77 0.2 . 1 . . . . . 56 LYS CG . 15341 1 619 . 1 1 56 56 LYS N N 15 120.334 0.2 . 1 . . . . . 56 LYS N . 15341 1 620 . 1 1 57 57 ALA H H 1 7.590 0.02 . 1 . . . . . 57 ALA H . 15341 1 621 . 1 1 57 57 ALA HA H 1 4.318 0.02 . 1 . . . . . 57 ALA HA . 15341 1 622 . 1 1 57 57 ALA HB1 H 1 1.626 0.02 . 1 . . . . . 57 ALA HB . 15341 1 623 . 1 1 57 57 ALA HB2 H 1 1.626 0.02 . 1 . . . . . 57 ALA HB . 15341 1 624 . 1 1 57 57 ALA HB3 H 1 1.626 0.02 . 1 . . . . . 57 ALA HB . 15341 1 625 . 1 1 57 57 ALA CA C 13 53.124 0.2 . 1 . . . . . 57 ALA CA . 15341 1 626 . 1 1 57 57 ALA CB C 13 20.015 0.2 . 1 . . . . . 57 ALA CB . 15341 1 627 . 1 1 57 57 ALA N N 15 119.501 0.2 . 1 . . . . . 57 ALA N . 15341 1 628 . 1 1 58 58 ASP H H 1 7.588 0.02 . 1 . . . . . 58 ASP H . 15341 1 629 . 1 1 58 58 ASP HA H 1 4.441 0.02 . 1 . . . . . 58 ASP HA . 15341 1 630 . 1 1 58 58 ASP HB2 H 1 3.007 0.02 . 2 . . . . . 58 ASP HB2 . 15341 1 631 . 1 1 58 58 ASP HB3 H 1 2.652 0.02 . 2 . . . . . 58 ASP HB3 . 15341 1 632 . 1 1 58 58 ASP CA C 13 54.193 0.2 . 1 . . . . . 58 ASP CA . 15341 1 633 . 1 1 58 58 ASP CB C 13 41.066 0.2 . 1 . . . . . 58 ASP CB . 15341 1 634 . 1 1 58 58 ASP N N 15 120.195 0.2 . 1 . . . . . 58 ASP N . 15341 1 635 . 1 1 59 59 ALA H H 1 7.840 0.02 . 1 . . . . . 59 ALA H . 15341 1 636 . 1 1 59 59 ALA HA H 1 4.188 0.02 . 1 . . . . . 59 ALA HA . 15341 1 637 . 1 1 59 59 ALA HB1 H 1 1.369 0.02 . 1 . . . . . 59 ALA HB . 15341 1 638 . 1 1 59 59 ALA HB2 H 1 1.369 0.02 . 1 . . . . . 59 ALA HB . 15341 1 639 . 1 1 59 59 ALA HB3 H 1 1.369 0.02 . 1 . . . . . 59 ALA HB . 15341 1 640 . 1 1 59 59 ALA CA C 13 53.326 0.2 . 1 . . . . . 59 ALA CA . 15341 1 641 . 1 1 59 59 ALA CB C 13 19.094 0.2 . 1 . . . . . 59 ALA CB . 15341 1 642 . 1 1 59 59 ALA N N 15 124.358 0.2 . 1 . . . . . 59 ALA N . 15341 1 643 . 1 1 60 60 LEU H H 1 8.078 0.02 . 1 . . . . . 60 LEU H . 15341 1 644 . 1 1 60 60 LEU HA H 1 4.10 0.02 . 1 . . . . . 60 LEU HA . 15341 1 645 . 1 1 60 60 LEU HB2 H 1 1.670 0.02 . 2 . . . . . 60 LEU HB2 . 15341 1 646 . 1 1 60 60 LEU HB3 H 1 1.488 0.02 . 2 . . . . . 60 LEU HB3 . 15341 1 647 . 1 1 60 60 LEU HD11 H 1 0.82 0.02 . 1 . . . . . 60 LEU HD1 . 15341 1 648 . 1 1 60 60 LEU HD12 H 1 0.82 0.02 . 1 . . . . . 60 LEU HD1 . 15341 1 649 . 1 1 60 60 LEU HD13 H 1 0.82 0.02 . 1 . . . . . 60 LEU HD1 . 15341 1 650 . 1 1 60 60 LEU HD21 H 1 0.86 0.02 . 1 . . . . . 60 LEU HD2 . 15341 1 651 . 1 1 60 60 LEU HD22 H 1 0.86 0.02 . 1 . . . . . 60 LEU HD2 . 15341 1 652 . 1 1 60 60 LEU HD23 H 1 0.86 0.02 . 1 . . . . . 60 LEU HD2 . 15341 1 653 . 1 1 60 60 LEU HG H 1 1.613 0.02 . 1 . . . . . 60 LEU HG . 15341 1 654 . 1 1 60 60 LEU CA C 13 56.210 0.2 . 1 . . . . . 60 LEU CA . 15341 1 655 . 1 1 60 60 LEU CB C 13 41.973 0.2 . 1 . . . . . 60 LEU CB . 15341 1 656 . 1 1 60 60 LEU CD1 C 13 23.386 0.2 . 1 . . . . . 60 LEU CD1 . 15341 1 657 . 1 1 60 60 LEU CD2 C 13 24.760 0.2 . 1 . . . . . 60 LEU CD2 . 15341 1 658 . 1 1 60 60 LEU CG C 13 26.962 0.2 . 1 . . . . . 60 LEU CG . 15341 1 659 . 1 1 60 60 LEU N N 15 119.688 0.2 . 1 . . . . . 60 LEU N . 15341 1 660 . 1 1 61 61 GLU H H 1 8.042 0.02 . 1 . . . . . 61 GLU H . 15341 1 661 . 1 1 61 61 GLU HA H 1 4.072 0.02 . 1 . . . . . 61 GLU HA . 15341 1 662 . 1 1 61 61 GLU HB2 H 1 1.900 0.02 . 2 . . . . . 61 GLU HB2 . 15341 1 663 . 1 1 61 61 GLU HB3 H 1 1.900 0.02 . 2 . . . . . 61 GLU HB3 . 15341 1 664 . 1 1 61 61 GLU HG2 H 1 2.13 0.02 . 2 . . . . . 61 GLU HG2 . 15341 1 665 . 1 1 61 61 GLU HG3 H 1 2.13 0.02 . 2 . . . . . 61 GLU HG3 . 15341 1 666 . 1 1 61 61 GLU CA C 13 56.896 0.2 . 1 . . . . . 61 GLU CA . 15341 1 667 . 1 1 61 61 GLU CB C 13 29.776 0.2 . 1 . . . . . 61 GLU CB . 15341 1 668 . 1 1 61 61 GLU CG C 13 35.83 0.2 . 1 . . . . . 61 GLU CG . 15341 1 669 . 1 1 61 61 GLU N N 15 119.804 0.2 . 1 . . . . . 61 GLU N . 15341 1 670 . 1 1 62 62 HIS H H 1 8.153 0.02 . 1 . . . . . 62 HIS H . 15341 1 671 . 1 1 62 62 HIS HA H 1 4.61 0.02 . 1 . . . . . 62 HIS HA . 15341 1 672 . 1 1 62 62 HIS HB2 H 1 3.16 0.02 . 2 . . . . . 62 HIS HB2 . 15341 1 673 . 1 1 62 62 HIS HB3 H 1 3.06 0.02 . 2 . . . . . 62 HIS HB3 . 15341 1 674 . 1 1 62 62 HIS CA C 13 56.131 0.2 . 1 . . . . . 62 HIS CA . 15341 1 675 . 1 1 62 62 HIS CB C 13 29.25 0.2 . 1 . . . . . 62 HIS CB . 15341 1 676 . 1 1 62 62 HIS N N 15 117.955 0.2 . 1 . . . . . 62 HIS N . 15341 1 677 . 1 1 63 63 HIS H H 1 8.324 0.02 . 1 . . . . . 63 HIS H . 15341 1 678 . 1 1 63 63 HIS HA H 1 4.52 0.02 . 1 . . . . . 63 HIS HA . 15341 1 679 . 1 1 63 63 HIS HB2 H 1 3.216 0.02 . 2 . . . . . 63 HIS HB2 . 15341 1 680 . 1 1 63 63 HIS HB3 H 1 3.103 0.02 . 2 . . . . . 63 HIS HB3 . 15341 1 681 . 1 1 63 63 HIS CA C 13 57.194 0.2 . 1 . . . . . 63 HIS CA . 15341 1 682 . 1 1 63 63 HIS CB C 13 29.761 0.2 . 1 . . . . . 63 HIS CB . 15341 1 683 . 1 1 63 63 HIS N N 15 125.429 0.2 . 1 . . . . . 63 HIS N . 15341 1 stop_ save_