################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30598 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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' . . . 30598 1 2 '2D 1H-13C HSQC' . . . 30598 1 3 '3D CBCA(CO)NH' . . . 30598 1 4 '3D HNCO' . . . 30598 1 5 '3D HNCACB' . . . 30598 1 6 '3D HBHA(CO)NH' . . . 30598 1 7 '3D 1H-15N NOESY' . . . 30598 1 8 '3D 1H-13C NOESY aliphatic' . . . 30598 1 9 '3D 1H-13C NOESY aromatic' . . . 30598 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.855 0.001 . 2 . . . . A 1 GLY HA2 . 30598 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.855 0.001 . 2 . . . . A 1 GLY HA3 . 30598 1 3 . 1 . 1 1 1 GLY C C 13 172.997 0.000 . 1 . . . . A 1 GLY C . 30598 1 4 . 1 . 1 1 1 GLY CA C 13 43.453 0.023 . 1 . . . . A 1 GLY CA . 30598 1 5 . 1 . 1 2 2 GLU H H 1 8.633 0.002 . 1 . . . . A 2 GLU H . 30598 1 6 . 1 . 1 2 2 GLU HA H 1 4.375 0.003 . 1 . . . . A 2 GLU HA . 30598 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.097 0.006 . 2 . . . . A 2 GLU HB2 . 30598 1 8 . 1 . 1 2 2 GLU HB3 H 1 1.922 0.001 . 2 . . . . A 2 GLU HB3 . 30598 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.299 0.000 . 2 . . . . A 2 GLU HG2 . 30598 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.299 0.000 . 2 . . . . A 2 GLU HG3 . 30598 1 11 . 1 . 1 2 2 GLU C C 13 179.439 0.000 . 1 . . . . A 2 GLU C . 30598 1 12 . 1 . 1 2 2 GLU CA C 13 56.337 0.001 . 1 . . . . A 2 GLU CA . 30598 1 13 . 1 . 1 2 2 GLU CB C 13 30.565 0.002 . 1 . . . . A 2 GLU CB . 30598 1 14 . 1 . 1 2 2 GLU CG C 13 36.148 0.002 . 1 . . . . A 2 GLU CG . 30598 1 15 . 1 . 1 2 2 GLU N N 15 120.169 0.004 . 1 . . . . A 2 GLU N . 30598 1 16 . 1 . 1 3 3 GLU H H 1 8.789 0.001 . 1 . . . . A 3 GLU H . 30598 1 17 . 1 . 1 3 3 GLU HA H 1 4.335 0.006 . 1 . . . . A 3 GLU HA . 30598 1 18 . 1 . 1 3 3 GLU HB2 H 1 2.056 0.003 . 1 . . . . A 3 GLU HB2 . 30598 1 19 . 1 . 1 3 3 GLU HB3 H 1 1.930 0.008 . 1 . . . . A 3 GLU HB3 . 30598 1 20 . 1 . 1 3 3 GLU HG2 H 1 2.360 0.001 . 1 . . . . A 3 GLU HG2 . 30598 1 21 . 1 . 1 3 3 GLU HG3 H 1 2.229 0.000 . 1 . . . . A 3 GLU HG3 . 30598 1 22 . 1 . 1 3 3 GLU C C 13 179.063 0.000 . 1 . . . . A 3 GLU C . 30598 1 23 . 1 . 1 3 3 GLU CA C 13 57.027 0.023 . 1 . . . . A 3 GLU CA . 30598 1 24 . 1 . 1 3 3 GLU CB C 13 30.287 0.058 . 1 . . . . A 3 GLU CB . 30598 1 25 . 1 . 1 3 3 GLU CG C 13 36.278 0.027 . 1 . . . . A 3 GLU CG . 30598 1 26 . 1 . 1 3 3 GLU N N 15 122.137 0.007 . 1 . . . . A 3 GLU N . 30598 1 27 . 1 . 1 4 4 VAL H H 1 7.884 0.000 . 1 . . . . A 4 VAL H . 30598 1 28 . 1 . 1 4 4 VAL HA H 1 4.951 0.000 . 1 . . . . A 4 VAL HA . 30598 1 29 . 1 . 1 4 4 VAL HB H 1 1.316 0.004 . 1 . . . . A 4 VAL HB . 30598 1 30 . 1 . 1 4 4 VAL HG11 H 1 0.659 0.003 . 1 . . . . A 4 VAL HG11 . 30598 1 31 . 1 . 1 4 4 VAL HG12 H 1 0.659 0.003 . 1 . . . . A 4 VAL HG12 . 30598 1 32 . 1 . 1 4 4 VAL HG13 H 1 0.659 0.003 . 1 . . . . A 4 VAL HG13 . 30598 1 33 . 1 . 1 4 4 VAL HG21 H 1 0.658 0.002 . 1 . . . . A 4 VAL HG21 . 30598 1 34 . 1 . 1 4 4 VAL HG22 H 1 0.658 0.002 . 1 . . . . A 4 VAL HG22 . 30598 1 35 . 1 . 1 4 4 VAL HG23 H 1 0.658 0.002 . 1 . . . . A 4 VAL HG23 . 30598 1 36 . 1 . 1 4 4 VAL C C 13 177.546 0.000 . 1 . . . . A 4 VAL C . 30598 1 37 . 1 . 1 4 4 VAL CA C 13 58.545 0.021 . 1 . . . . A 4 VAL CA . 30598 1 38 . 1 . 1 4 4 VAL CB C 13 36.130 0.001 . 1 . . . . A 4 VAL CB . 30598 1 39 . 1 . 1 4 4 VAL CG1 C 13 21.636 0.000 . 1 . . . . A 4 VAL CG1 . 30598 1 40 . 1 . 1 4 4 VAL CG2 C 13 17.628 0.000 . 1 . . . . A 4 VAL CG2 . 30598 1 41 . 1 . 1 4 4 VAL N N 15 113.358 0.000 . 1 . . . . A 4 VAL N . 30598 1 42 . 1 . 1 5 5 ARG H H 1 8.736 0.002 . 1 . . . . A 5 ARG H . 30598 1 43 . 1 . 1 5 5 ARG HA H 1 4.622 0.004 . 1 . . . . A 5 ARG HA . 30598 1 44 . 1 . 1 5 5 ARG HB2 H 1 1.662 0.001 . 1 . . . . A 5 ARG HB2 . 30598 1 45 . 1 . 1 5 5 ARG HB3 H 1 1.882 0.014 . 1 . . . . A 5 ARG HB3 . 30598 1 46 . 1 . 1 5 5 ARG HG2 H 1 1.302 0.001 . 1 . . . . A 5 ARG HG2 . 30598 1 47 . 1 . 1 5 5 ARG HG3 H 1 1.251 0.000 . 1 . . . . A 5 ARG HG3 . 30598 1 48 . 1 . 1 5 5 ARG HD2 H 1 3.007 0.000 . 1 . . . . A 5 ARG HD2 . 30598 1 49 . 1 . 1 5 5 ARG HD3 H 1 2.955 0.000 . 1 . . . . A 5 ARG HD3 . 30598 1 50 . 1 . 1 5 5 ARG C C 13 175.673 0.000 . 1 . . . . A 5 ARG C . 30598 1 51 . 1 . 1 5 5 ARG CA C 13 54.725 0.018 . 1 . . . . A 5 ARG CA . 30598 1 52 . 1 . 1 5 5 ARG CB C 13 32.848 0.048 . 1 . . . . A 5 ARG CB . 30598 1 53 . 1 . 1 5 5 ARG CG C 13 25.258 0.007 . 1 . . . . A 5 ARG CG . 30598 1 54 . 1 . 1 5 5 ARG CD C 13 44.434 0.025 . 1 . . . . A 5 ARG CD . 30598 1 55 . 1 . 1 5 5 ARG N N 15 116.628 0.007 . 1 . . . . A 5 ARG N . 30598 1 56 . 1 . 1 6 6 ASP H H 1 8.147 0.000 . 1 . . . . A 6 ASP H . 30598 1 57 . 1 . 1 6 6 ASP HA H 1 5.159 0.008 . 1 . . . . A 6 ASP HA . 30598 1 58 . 1 . 1 6 6 ASP HB2 H 1 2.583 0.002 . 2 . . . . A 6 ASP HB2 . 30598 1 59 . 1 . 1 6 6 ASP HB3 H 1 2.451 0.005 . 2 . . . . A 6 ASP HB3 . 30598 1 60 . 1 . 1 6 6 ASP C C 13 178.031 0.000 . 1 . . . . A 6 ASP C . 30598 1 61 . 1 . 1 6 6 ASP CA C 13 52.062 0.051 . 1 . . . . A 6 ASP CA . 30598 1 62 . 1 . 1 6 6 ASP CB C 13 40.089 0.031 . 1 . . . . A 6 ASP CB . 30598 1 63 . 1 . 1 6 6 ASP N N 15 122.893 0.002 . 1 . . . . A 6 ASP N . 30598 1 64 . 1 . 1 7 7 ALA H H 1 7.594 0.001 . 1 . . . . A 7 ALA H . 30598 1 65 . 1 . 1 7 7 ALA HA H 1 3.484 0.002 . 1 . . . . A 7 ALA HA . 30598 1 66 . 1 . 1 7 7 ALA HB1 H 1 1.047 0.008 . 1 . . . . A 7 ALA HB1 . 30598 1 67 . 1 . 1 7 7 ALA HB2 H 1 1.047 0.008 . 1 . . . . A 7 ALA HB2 . 30598 1 68 . 1 . 1 7 7 ALA HB3 H 1 1.047 0.008 . 1 . . . . A 7 ALA HB3 . 30598 1 69 . 1 . 1 7 7 ALA C C 13 178.669 0.000 . 1 . . . . A 7 ALA C . 30598 1 70 . 1 . 1 7 7 ALA CA C 13 51.730 0.013 . 1 . . . . A 7 ALA CA . 30598 1 71 . 1 . 1 7 7 ALA CB C 13 23.183 0.026 . 1 . . . . A 7 ALA CB . 30598 1 72 . 1 . 1 7 7 ALA N N 15 123.908 0.023 . 1 . . . . A 7 ALA N . 30598 1 73 . 1 . 1 8 8 TYR H H 1 8.163 0.002 . 1 . . . . A 8 TYR H . 30598 1 74 . 1 . 1 8 8 TYR HA H 1 5.304 0.006 . 1 . . . . A 8 TYR HA . 30598 1 75 . 1 . 1 8 8 TYR HB2 H 1 2.926 0.001 . 2 . . . . A 8 TYR HB2 . 30598 1 76 . 1 . 1 8 8 TYR HB3 H 1 2.926 0.001 . 2 . . . . A 8 TYR HB3 . 30598 1 77 . 1 . 1 8 8 TYR HD1 H 1 7.438 0.003 . 1 . . . . A 8 TYR HD1 . 30598 1 78 . 1 . 1 8 8 TYR HD2 H 1 7.438 0.003 . 1 . . . . A 8 TYR HD2 . 30598 1 79 . 1 . 1 8 8 TYR HE1 H 1 7.019 0.018 . 1 . . . . A 8 TYR HE1 . 30598 1 80 . 1 . 1 8 8 TYR HE2 H 1 7.019 0.018 . 1 . . . . A 8 TYR HE2 . 30598 1 81 . 1 . 1 8 8 TYR C C 13 178.101 0.000 . 1 . . . . A 8 TYR C . 30598 1 82 . 1 . 1 8 8 TYR CA C 13 57.896 0.038 . 1 . . . . A 8 TYR CA . 30598 1 83 . 1 . 1 8 8 TYR CB C 13 37.612 0.015 . 1 . . . . A 8 TYR CB . 30598 1 84 . 1 . 1 8 8 TYR CD1 C 13 134.566 0.000 . 1 . . . . A 8 TYR CD1 . 30598 1 85 . 1 . 1 8 8 TYR CE1 C 13 119.217 0.010 . 1 . . . . A 8 TYR CE1 . 30598 1 86 . 1 . 1 8 8 TYR N N 15 118.010 0.001 . 1 . . . . A 8 TYR N . 30598 1 87 . 1 . 1 9 9 ILE H H 1 6.533 0.001 . 1 . . . . A 9 ILE H . 30598 1 88 . 1 . 1 9 9 ILE HA H 1 4.215 0.004 . 1 . . . . A 9 ILE HA . 30598 1 89 . 1 . 1 9 9 ILE HB H 1 1.665 0.001 . 1 . . . . A 9 ILE HB . 30598 1 90 . 1 . 1 9 9 ILE HG12 H 1 1.775 0.000 . 1 . . . . A 9 ILE HG12 . 30598 1 91 . 1 . 1 9 9 ILE HG13 H 1 1.100 0.000 . 1 . . . . A 9 ILE HG13 . 30598 1 92 . 1 . 1 9 9 ILE HG21 H 1 0.612 0.000 . 1 . . . . A 9 ILE HG21 . 30598 1 93 . 1 . 1 9 9 ILE HG22 H 1 0.612 0.000 . 1 . . . . A 9 ILE HG22 . 30598 1 94 . 1 . 1 9 9 ILE HG23 H 1 0.612 0.000 . 1 . . . . A 9 ILE HG23 . 30598 1 95 . 1 . 1 9 9 ILE HD11 H 1 0.239 0.000 . 1 . . . . A 9 ILE HD11 . 30598 1 96 . 1 . 1 9 9 ILE HD12 H 1 0.239 0.000 . 1 . . . . A 9 ILE HD12 . 30598 1 97 . 1 . 1 9 9 ILE HD13 H 1 0.239 0.000 . 1 . . . . A 9 ILE HD13 . 30598 1 98 . 1 . 1 9 9 ILE C C 13 175.618 0.000 . 1 . . . . A 9 ILE C . 30598 1 99 . 1 . 1 9 9 ILE CA C 13 60.866 0.012 . 1 . . . . A 9 ILE CA . 30598 1 100 . 1 . 1 9 9 ILE CB C 13 39.296 0.014 . 1 . . . . A 9 ILE CB . 30598 1 101 . 1 . 1 9 9 ILE CG1 C 13 28.593 0.000 . 1 . . . . A 9 ILE CG1 . 30598 1 102 . 1 . 1 9 9 ILE CG2 C 13 15.199 0.044 . 1 . . . . A 9 ILE CG2 . 30598 1 103 . 1 . 1 9 9 ILE CD1 C 13 13.032 0.004 . 1 . . . . A 9 ILE CD1 . 30598 1 104 . 1 . 1 9 9 ILE N N 15 124.088 0.007 . 1 . . . . A 9 ILE N . 30598 1 105 . 1 . 1 10 10 ALA H H 1 7.750 0.002 . 1 . . . . A 10 ALA H . 30598 1 106 . 1 . 1 10 10 ALA HA H 1 5.346 0.002 . 1 . . . . A 10 ALA HA . 30598 1 107 . 1 . 1 10 10 ALA HB1 H 1 0.843 0.002 . 1 . . . . A 10 ALA HB1 . 30598 1 108 . 1 . 1 10 10 ALA HB2 H 1 0.843 0.002 . 1 . . . . A 10 ALA HB2 . 30598 1 109 . 1 . 1 10 10 ALA HB3 H 1 0.843 0.002 . 1 . . . . A 10 ALA HB3 . 30598 1 110 . 1 . 1 10 10 ALA C C 13 179.320 0.000 . 1 . . . . A 10 ALA C . 30598 1 111 . 1 . 1 10 10 ALA CA C 13 49.636 0.010 . 1 . . . . A 10 ALA CA . 30598 1 112 . 1 . 1 10 10 ALA CB C 13 21.575 0.006 . 1 . . . . A 10 ALA CB . 30598 1 113 . 1 . 1 10 10 ALA N N 15 126.408 0.010 . 1 . . . . A 10 ALA N . 30598 1 114 . 1 . 1 11 11 GLN H H 1 9.130 0.000 . 1 . . . . A 11 GLN H . 30598 1 115 . 1 . 1 11 11 GLN HA H 1 4.762 0.001 . 1 . . . . A 11 GLN HA . 30598 1 116 . 1 . 1 11 11 GLN HB2 H 1 1.835 0.001 . 2 . . . . A 11 GLN HB2 . 30598 1 117 . 1 . 1 11 11 GLN HB3 H 1 1.275 0.002 . 2 . . . . A 11 GLN HB3 . 30598 1 118 . 1 . 1 11 11 GLN HG2 H 1 1.305 0.000 . 1 . . . . A 11 GLN HG2 . 30598 1 119 . 1 . 1 11 11 GLN HG3 H 1 1.409 0.003 . 1 . . . . A 11 GLN HG3 . 30598 1 120 . 1 . 1 11 11 GLN HE21 H 1 6.196 0.000 . 2 . . . . A 11 GLN HE21 . 30598 1 121 . 1 . 1 11 11 GLN HE22 H 1 6.455 0.000 . 2 . . . . A 11 GLN HE22 . 30598 1 122 . 1 . 1 11 11 GLN CB C 13 28.594 0.015 . 1 . . . . A 11 GLN CB . 30598 1 123 . 1 . 1 11 11 GLN CG C 13 31.706 0.021 . 1 . . . . A 11 GLN CG . 30598 1 124 . 1 . 1 11 11 GLN N N 15 119.895 0.006 . 1 . . . . A 11 GLN N . 30598 1 125 . 1 . 1 11 11 GLN NE2 N 15 111.296 0.001 . 1 . . . . A 11 GLN NE2 . 30598 1 126 . 1 . 1 12 12 PRO HA H 1 4.297 0.002 . 1 . . . . A 12 PRO HA . 30598 1 127 . 1 . 1 12 12 PRO HB2 H 1 1.226 0.001 . 1 . . . . A 12 PRO HB2 . 30598 1 128 . 1 . 1 12 12 PRO HB3 H 1 1.270 0.001 . 1 . . . . A 12 PRO HB3 . 30598 1 129 . 1 . 1 12 12 PRO HG2 H 1 1.956 0.000 . 2 . . . . A 12 PRO HG2 . 30598 1 130 . 1 . 1 12 12 PRO HG3 H 1 1.781 0.002 . 2 . . . . A 12 PRO HG3 . 30598 1 131 . 1 . 1 12 12 PRO HD2 H 1 3.442 0.002 . 1 . . . . A 12 PRO HD2 . 30598 1 132 . 1 . 1 12 12 PRO HD3 H 1 3.715 0.002 . 1 . . . . A 12 PRO HD3 . 30598 1 133 . 1 . 1 12 12 PRO C C 13 180.249 0.000 . 1 . . . . A 12 PRO C . 30598 1 134 . 1 . 1 12 12 PRO CA C 13 58.674 0.000 . 1 . . . . A 12 PRO CA . 30598 1 135 . 1 . 1 12 12 PRO CB C 13 31.214 0.010 . 1 . . . . A 12 PRO CB . 30598 1 136 . 1 . 1 12 12 PRO CG C 13 28.048 0.014 . 1 . . . . A 12 PRO CG . 30598 1 137 . 1 . 1 12 12 PRO CD C 13 50.342 0.045 . 1 . . . . A 12 PRO CD . 30598 1 138 . 1 . 1 13 13 HIS H H 1 7.603 0.002 . 1 . . . . A 13 HIS H . 30598 1 139 . 1 . 1 13 13 HIS HA H 1 4.413 0.002 . 1 . . . . A 13 HIS HA . 30598 1 140 . 1 . 1 13 13 HIS HB2 H 1 2.630 0.003 . 2 . . . . A 13 HIS HB2 . 30598 1 141 . 1 . 1 13 13 HIS HB3 H 1 2.157 0.005 . 2 . . . . A 13 HIS HB3 . 30598 1 142 . 1 . 1 13 13 HIS HD2 H 1 7.252 0.000 . 1 . . . . A 13 HIS HD2 . 30598 1 143 . 1 . 1 13 13 HIS HE1 H 1 8.396 0.001 . 1 . . . . A 13 HIS HE1 . 30598 1 144 . 1 . 1 13 13 HIS CA C 13 58.946 0.011 . 1 . . . . A 13 HIS CA . 30598 1 145 . 1 . 1 13 13 HIS CB C 13 27.264 0.034 . 1 . . . . A 13 HIS CB . 30598 1 146 . 1 . 1 13 13 HIS CD2 C 13 120.618 0.063 . 1 . . . . A 13 HIS CD2 . 30598 1 147 . 1 . 1 13 13 HIS CE1 C 13 136.893 0.007 . 1 . . . . A 13 HIS CE1 . 30598 1 148 . 1 . 1 13 13 HIS N N 15 123.505 0.004 . 1 . . . . A 13 HIS N . 30598 1 149 . 1 . 1 14 14 ASN H H 1 9.108 0.001 . 1 . . . . A 14 ASN H . 30598 1 150 . 1 . 1 14 14 ASN HA H 1 4.183 0.009 . 1 . . . . A 14 ASN HA . 30598 1 151 . 1 . 1 14 14 ASN HB2 H 1 3.870 0.002 . 2 . . . . A 14 ASN HB2 . 30598 1 152 . 1 . 1 14 14 ASN HB3 H 1 2.264 0.009 . 2 . . . . A 14 ASN HB3 . 30598 1 153 . 1 . 1 14 14 ASN HD21 H 1 6.522 0.000 . 1 . . . . A 14 ASN HD21 . 30598 1 154 . 1 . 1 14 14 ASN HD22 H 1 7.195 0.000 . 1 . . . . A 14 ASN HD22 . 30598 1 155 . 1 . 1 14 14 ASN C C 13 176.505 0.000 . 1 . . . . A 14 ASN C . 30598 1 156 . 1 . 1 14 14 ASN CA C 13 53.757 0.046 . 1 . . . . A 14 ASN CA . 30598 1 157 . 1 . 1 14 14 ASN CB C 13 37.850 0.022 . 1 . . . . A 14 ASN CB . 30598 1 158 . 1 . 1 14 14 ASN N N 15 121.915 0.000 . 1 . . . . A 14 ASN N . 30598 1 159 . 1 . 1 14 14 ASN ND2 N 15 109.094 0.003 . 1 . . . . A 14 ASN ND2 . 30598 1 160 . 1 . 1 15 15 CYS H H 1 8.314 0.001 . 1 . . . . A 15 CYS H . 30598 1 161 . 1 . 1 15 15 CYS HA H 1 5.038 0.001 . 1 . . . . A 15 CYS HA . 30598 1 162 . 1 . 1 15 15 CYS HB2 H 1 2.415 0.005 . 1 . . . . A 15 CYS HB2 . 30598 1 163 . 1 . 1 15 15 CYS HB3 H 1 3.123 0.003 . 1 . . . . A 15 CYS HB3 . 30598 1 164 . 1 . 1 15 15 CYS C C 13 177.575 0.000 . 1 . . . . A 15 CYS C . 30598 1 165 . 1 . 1 15 15 CYS CA C 13 54.891 0.014 . 1 . . . . A 15 CYS CA . 30598 1 166 . 1 . 1 15 15 CYS CB C 13 45.860 0.017 . 1 . . . . A 15 CYS CB . 30598 1 167 . 1 . 1 15 15 CYS N N 15 116.006 0.003 . 1 . . . . A 15 CYS N . 30598 1 168 . 1 . 1 16 16 VAL H H 1 8.108 0.000 . 1 . . . . A 16 VAL H . 30598 1 169 . 1 . 1 16 16 VAL HA H 1 4.423 0.007 . 1 . . . . A 16 VAL HA . 30598 1 170 . 1 . 1 16 16 VAL HB H 1 2.187 0.005 . 1 . . . . A 16 VAL HB . 30598 1 171 . 1 . 1 16 16 VAL HG11 H 1 -0.020 0.000 . 2 . . . . A 16 VAL HG11 . 30598 1 172 . 1 . 1 16 16 VAL HG12 H 1 -0.020 0.000 . 2 . . . . A 16 VAL HG12 . 30598 1 173 . 1 . 1 16 16 VAL HG13 H 1 -0.020 0.000 . 2 . . . . A 16 VAL HG13 . 30598 1 174 . 1 . 1 16 16 VAL HG21 H 1 0.070 0.001 . 2 . . . . A 16 VAL HG21 . 30598 1 175 . 1 . 1 16 16 VAL HG22 H 1 0.070 0.001 . 2 . . . . A 16 VAL HG22 . 30598 1 176 . 1 . 1 16 16 VAL HG23 H 1 0.070 0.001 . 2 . . . . A 16 VAL HG23 . 30598 1 177 . 1 . 1 16 16 VAL C C 13 178.951 0.000 . 1 . . . . A 16 VAL C . 30598 1 178 . 1 . 1 16 16 VAL CA C 13 61.019 0.018 . 1 . . . . A 16 VAL CA . 30598 1 179 . 1 . 1 16 16 VAL CB C 13 31.855 0.007 . 1 . . . . A 16 VAL CB . 30598 1 180 . 1 . 1 16 16 VAL CG1 C 13 16.151 0.002 . 1 . . . . A 16 VAL CG1 . 30598 1 181 . 1 . 1 16 16 VAL CG2 C 13 21.469 0.013 . 1 . . . . A 16 VAL CG2 . 30598 1 182 . 1 . 1 16 16 VAL N N 15 113.434 0.000 . 1 . . . . A 16 VAL N . 30598 1 183 . 1 . 1 17 17 TYR H H 1 8.863 0.001 . 1 . . . . A 17 TYR H . 30598 1 184 . 1 . 1 17 17 TYR HA H 1 4.443 0.008 . 1 . . . . A 17 TYR HA . 30598 1 185 . 1 . 1 17 17 TYR HB2 H 1 2.795 0.006 . 2 . . . . A 17 TYR HB2 . 30598 1 186 . 1 . 1 17 17 TYR HB3 H 1 2.653 0.009 . 2 . . . . A 17 TYR HB3 . 30598 1 187 . 1 . 1 17 17 TYR HD1 H 1 7.078 0.000 . 1 . . . . A 17 TYR HD1 . 30598 1 188 . 1 . 1 17 17 TYR HD2 H 1 7.078 0.000 . 1 . . . . A 17 TYR HD2 . 30598 1 189 . 1 . 1 17 17 TYR HE1 H 1 6.346 0.001 . 1 . . . . A 17 TYR HE1 . 30598 1 190 . 1 . 1 17 17 TYR HE2 H 1 6.346 0.001 . 1 . . . . A 17 TYR HE2 . 30598 1 191 . 1 . 1 17 17 TYR C C 13 178.637 0.000 . 1 . . . . A 17 TYR C . 30598 1 192 . 1 . 1 17 17 TYR CA C 13 57.398 0.001 . 1 . . . . A 17 TYR CA . 30598 1 193 . 1 . 1 17 17 TYR CB C 13 37.773 0.046 . 1 . . . . A 17 TYR CB . 30598 1 194 . 1 . 1 17 17 TYR CD1 C 13 134.321 0.013 . 1 . . . . A 17 TYR CD1 . 30598 1 195 . 1 . 1 17 17 TYR CE1 C 13 117.347 0.008 . 1 . . . . A 17 TYR CE1 . 30598 1 196 . 1 . 1 17 17 TYR N N 15 120.460 0.003 . 1 . . . . A 17 TYR N . 30598 1 197 . 1 . 1 18 18 HIS H H 1 8.389 0.002 . 1 . . . . A 18 HIS H . 30598 1 198 . 1 . 1 18 18 HIS HA H 1 4.904 0.002 . 1 . . . . A 18 HIS HA . 30598 1 199 . 1 . 1 18 18 HIS HB2 H 1 3.097 0.001 . 2 . . . . A 18 HIS HB2 . 30598 1 200 . 1 . 1 18 18 HIS HB3 H 1 3.052 0.001 . 2 . . . . A 18 HIS HB3 . 30598 1 201 . 1 . 1 18 18 HIS HD2 H 1 7.164 0.002 . 1 . . . . A 18 HIS HD2 . 30598 1 202 . 1 . 1 18 18 HIS HE1 H 1 8.099 0.001 . 1 . . . . A 18 HIS HE1 . 30598 1 203 . 1 . 1 18 18 HIS CA C 13 56.485 0.010 . 1 . . . . A 18 HIS CA . 30598 1 204 . 1 . 1 18 18 HIS CB C 13 29.016 0.012 . 1 . . . . A 18 HIS CB . 30598 1 205 . 1 . 1 18 18 HIS CD2 C 13 121.405 0.016 . 1 . . . . A 18 HIS CD2 . 30598 1 206 . 1 . 1 18 18 HIS CE1 C 13 137.020 0.004 . 1 . . . . A 18 HIS CE1 . 30598 1 207 . 1 . 1 18 18 HIS N N 15 121.698 0.012 . 1 . . . . A 18 HIS N . 30598 1 208 . 1 . 1 19 19 CYS H H 1 7.242 0.000 . 1 . . . . A 19 CYS H . 30598 1 209 . 1 . 1 19 19 CYS HA H 1 4.746 0.002 . 1 . . . . A 19 CYS HA . 30598 1 210 . 1 . 1 19 19 CYS HB2 H 1 3.158 0.002 . 2 . . . . A 19 CYS HB2 . 30598 1 211 . 1 . 1 19 19 CYS HB3 H 1 3.158 0.002 . 2 . . . . A 19 CYS HB3 . 30598 1 212 . 1 . 1 19 19 CYS C C 13 174.463 0.000 . 1 . . . . A 19 CYS C . 30598 1 213 . 1 . 1 19 19 CYS CA C 13 53.707 0.000 . 1 . . . . A 19 CYS CA . 30598 1 214 . 1 . 1 19 19 CYS CB C 13 48.017 0.033 . 1 . . . . A 19 CYS CB . 30598 1 215 . 1 . 1 19 19 CYS N N 15 113.800 0.004 . 1 . . . . A 19 CYS N . 30598 1 216 . 1 . 1 20 20 PHE H H 1 8.990 0.001 . 1 . . . . A 20 PHE H . 30598 1 217 . 1 . 1 20 20 PHE HA H 1 4.686 0.002 . 1 . . . . A 20 PHE HA . 30598 1 218 . 1 . 1 20 20 PHE HB2 H 1 3.263 0.000 . 2 . . . . A 20 PHE HB2 . 30598 1 219 . 1 . 1 20 20 PHE HB3 H 1 2.931 0.002 . 2 . . . . A 20 PHE HB3 . 30598 1 220 . 1 . 1 20 20 PHE HD1 H 1 7.267 0.000 . 1 . . . . A 20 PHE HD1 . 30598 1 221 . 1 . 1 20 20 PHE HD2 H 1 7.267 0.000 . 1 . . . . A 20 PHE HD2 . 30598 1 222 . 1 . 1 20 20 PHE HE1 H 1 7.306 0.002 . 1 . . . . A 20 PHE HE1 . 30598 1 223 . 1 . 1 20 20 PHE HE2 H 1 7.306 0.002 . 1 . . . . A 20 PHE HE2 . 30598 1 224 . 1 . 1 20 20 PHE C C 13 178.247 0.000 . 1 . . . . A 20 PHE C . 30598 1 225 . 1 . 1 20 20 PHE CA C 13 58.518 0.000 . 1 . . . . A 20 PHE CA . 30598 1 226 . 1 . 1 20 20 PHE CB C 13 41.610 0.021 . 1 . . . . A 20 PHE CB . 30598 1 227 . 1 . 1 20 20 PHE CD1 C 13 132.277 0.020 . 1 . . . . A 20 PHE CD1 . 30598 1 228 . 1 . 1 20 20 PHE CE1 C 13 132.164 0.013 . 1 . . . . A 20 PHE CE1 . 30598 1 229 . 1 . 1 20 20 PHE N N 15 115.071 0.005 . 1 . . . . A 20 PHE N . 30598 1 230 . 1 . 1 21 21 ARG H H 1 7.819 0.000 . 1 . . . . A 21 ARG H . 30598 1 231 . 1 . 1 21 21 ARG HA H 1 4.910 0.006 . 1 . . . . A 21 ARG HA . 30598 1 232 . 1 . 1 21 21 ARG HB2 H 1 2.081 0.006 . 1 . . . . A 21 ARG HB2 . 30598 1 233 . 1 . 1 21 21 ARG HB3 H 1 1.964 0.001 . 1 . . . . A 21 ARG HB3 . 30598 1 234 . 1 . 1 21 21 ARG HG2 H 1 1.732 0.003 . 2 . . . . A 21 ARG HG2 . 30598 1 235 . 1 . 1 21 21 ARG HG3 H 1 1.732 0.003 . 2 . . . . A 21 ARG HG3 . 30598 1 236 . 1 . 1 21 21 ARG HD2 H 1 3.279 0.004 . 2 . . . . A 21 ARG HD2 . 30598 1 237 . 1 . 1 21 21 ARG HD3 H 1 3.279 0.004 . 2 . . . . A 21 ARG HD3 . 30598 1 238 . 1 . 1 21 21 ARG C C 13 179.639 0.000 . 1 . . . . A 21 ARG C . 30598 1 239 . 1 . 1 21 21 ARG CA C 13 54.709 0.004 . 1 . . . . A 21 ARG CA . 30598 1 240 . 1 . 1 21 21 ARG CB C 13 33.284 0.016 . 1 . . . . A 21 ARG CB . 30598 1 241 . 1 . 1 21 21 ARG CG C 13 27.278 0.008 . 1 . . . . A 21 ARG CG . 30598 1 242 . 1 . 1 21 21 ARG CD C 13 43.487 0.007 . 1 . . . . A 21 ARG CD . 30598 1 243 . 1 . 1 21 21 ARG N N 15 117.905 0.008 . 1 . . . . A 21 ARG N . 30598 1 244 . 1 . 1 22 22 ASP H H 1 9.076 0.002 . 1 . . . . A 22 ASP H . 30598 1 245 . 1 . 1 22 22 ASP HA H 1 4.282 0.004 . 1 . . . . A 22 ASP HA . 30598 1 246 . 1 . 1 22 22 ASP HB2 H 1 2.997 0.007 . 2 . . . . A 22 ASP HB2 . 30598 1 247 . 1 . 1 22 22 ASP HB3 H 1 2.724 0.006 . 2 . . . . A 22 ASP HB3 . 30598 1 248 . 1 . 1 22 22 ASP C C 13 181.613 0.000 . 1 . . . . A 22 ASP C . 30598 1 249 . 1 . 1 22 22 ASP CA C 13 58.718 0.030 . 1 . . . . A 22 ASP CA . 30598 1 250 . 1 . 1 22 22 ASP CB C 13 40.859 0.025 . 1 . . . . A 22 ASP CB . 30598 1 251 . 1 . 1 22 22 ASP N N 15 124.188 0.005 . 1 . . . . A 22 ASP N . 30598 1 252 . 1 . 1 23 23 SER H H 1 8.930 0.001 . 1 . . . . A 23 SER H . 30598 1 253 . 1 . 1 23 23 SER HA H 1 4.118 0.000 . 1 . . . . A 23 SER HA . 30598 1 254 . 1 . 1 23 23 SER HB2 H 1 4.005 0.001 . 2 . . . . A 23 SER HB2 . 30598 1 255 . 1 . 1 23 23 SER HB3 H 1 3.956 0.000 . 2 . . . . A 23 SER HB3 . 30598 1 256 . 1 . 1 23 23 SER C C 13 179.282 0.000 . 1 . . . . A 23 SER C . 30598 1 257 . 1 . 1 23 23 SER CA C 13 61.488 0.015 . 1 . . . . A 23 SER CA . 30598 1 258 . 1 . 1 23 23 SER CB C 13 61.740 0.011 . 1 . . . . A 23 SER CB . 30598 1 259 . 1 . 1 23 23 SER N N 15 114.722 0.003 . 1 . . . . A 23 SER N . 30598 1 260 . 1 . 1 24 24 TYR H H 1 6.634 0.001 . 1 . . . . A 24 TYR H . 30598 1 261 . 1 . 1 24 24 TYR HA H 1 4.410 0.000 . 1 . . . . A 24 TYR HA . 30598 1 262 . 1 . 1 24 24 TYR HB2 H 1 3.438 0.002 . 2 . . . . A 24 TYR HB2 . 30598 1 263 . 1 . 1 24 24 TYR HB3 H 1 3.178 0.002 . 2 . . . . A 24 TYR HB3 . 30598 1 264 . 1 . 1 24 24 TYR HD1 H 1 7.142 0.001 . 1 . . . . A 24 TYR HD1 . 30598 1 265 . 1 . 1 24 24 TYR HD2 H 1 7.142 0.001 . 1 . . . . A 24 TYR HD2 . 30598 1 266 . 1 . 1 24 24 TYR HE1 H 1 6.806 0.001 . 1 . . . . A 24 TYR HE1 . 30598 1 267 . 1 . 1 24 24 TYR HE2 H 1 6.806 0.001 . 1 . . . . A 24 TYR HE2 . 30598 1 268 . 1 . 1 24 24 TYR C C 13 180.195 0.000 . 1 . . . . A 24 TYR C . 30598 1 269 . 1 . 1 24 24 TYR CA C 13 60.390 0.019 . 1 . . . . A 24 TYR CA . 30598 1 270 . 1 . 1 24 24 TYR CB C 13 39.180 0.029 . 1 . . . . A 24 TYR CB . 30598 1 271 . 1 . 1 24 24 TYR CD1 C 13 133.772 0.050 . 1 . . . . A 24 TYR CD1 . 30598 1 272 . 1 . 1 24 24 TYR CE1 C 13 118.582 0.036 . 1 . . . . A 24 TYR CE1 . 30598 1 273 . 1 . 1 24 24 TYR N N 15 121.972 0.009 . 1 . . . . A 24 TYR N . 30598 1 274 . 1 . 1 25 25 CYS H H 1 6.885 0.001 . 1 . . . . A 25 CYS H . 30598 1 275 . 1 . 1 25 25 CYS HA H 1 4.179 0.002 . 1 . . . . A 25 CYS HA . 30598 1 276 . 1 . 1 25 25 CYS HB2 H 1 2.662 0.007 . 2 . . . . A 25 CYS HB2 . 30598 1 277 . 1 . 1 25 25 CYS HB3 H 1 2.381 0.002 . 2 . . . . A 25 CYS HB3 . 30598 1 278 . 1 . 1 25 25 CYS C C 13 179.223 0.000 . 1 . . . . A 25 CYS C . 30598 1 279 . 1 . 1 25 25 CYS CA C 13 53.990 0.039 . 1 . . . . A 25 CYS CA . 30598 1 280 . 1 . 1 25 25 CYS CB C 13 33.792 0.013 . 1 . . . . A 25 CYS CB . 30598 1 281 . 1 . 1 25 25 CYS N N 15 116.724 0.002 . 1 . . . . A 25 CYS N . 30598 1 282 . 1 . 1 26 26 ASN H H 1 9.154 0.002 . 1 . . . . A 26 ASN H . 30598 1 283 . 1 . 1 26 26 ASN HA H 1 4.011 0.005 . 1 . . . . A 26 ASN HA . 30598 1 284 . 1 . 1 26 26 ASN HB2 H 1 2.789 0.000 . 1 . . . . A 26 ASN HB2 . 30598 1 285 . 1 . 1 26 26 ASN HB3 H 1 2.786 0.003 . 1 . . . . A 26 ASN HB3 . 30598 1 286 . 1 . 1 26 26 ASN HD21 H 1 7.751 0.000 . 1 . . . . A 26 ASN HD21 . 30598 1 287 . 1 . 1 26 26 ASN HD22 H 1 6.725 0.000 . 1 . . . . A 26 ASN HD22 . 30598 1 288 . 1 . 1 26 26 ASN C C 13 178.683 0.000 . 1 . . . . A 26 ASN C . 30598 1 289 . 1 . 1 26 26 ASN CA C 13 58.052 0.005 . 1 . . . . A 26 ASN CA . 30598 1 290 . 1 . 1 26 26 ASN CB C 13 39.254 0.015 . 1 . . . . A 26 ASN CB . 30598 1 291 . 1 . 1 26 26 ASN N N 15 123.382 0.008 . 1 . . . . A 26 ASN N . 30598 1 292 . 1 . 1 26 26 ASN ND2 N 15 114.771 0.001 . 1 . . . . A 26 ASN ND2 . 30598 1 293 . 1 . 1 27 27 ASP H H 1 7.657 0.001 . 1 . . . . A 27 ASP H . 30598 1 294 . 1 . 1 27 27 ASP HA H 1 4.194 0.007 . 1 . . . . A 27 ASP HA . 30598 1 295 . 1 . 1 27 27 ASP HB2 H 1 2.714 0.018 . 2 . . . . A 27 ASP HB2 . 30598 1 296 . 1 . 1 27 27 ASP HB3 H 1 2.524 0.003 . 2 . . . . A 27 ASP HB3 . 30598 1 297 . 1 . 1 27 27 ASP C C 13 180.826 0.000 . 1 . . . . A 27 ASP C . 30598 1 298 . 1 . 1 27 27 ASP CA C 13 57.477 0.017 . 1 . . . . A 27 ASP CA . 30598 1 299 . 1 . 1 27 27 ASP CB C 13 41.095 0.013 . 1 . . . . A 27 ASP CB . 30598 1 300 . 1 . 1 27 27 ASP N N 15 116.890 0.003 . 1 . . . . A 27 ASP N . 30598 1 301 . 1 . 1 28 28 LEU H H 1 7.560 0.001 . 1 . . . . A 28 LEU H . 30598 1 302 . 1 . 1 28 28 LEU HA H 1 3.817 0.007 . 1 . . . . A 28 LEU HA . 30598 1 303 . 1 . 1 28 28 LEU HB2 H 1 1.370 0.004 . 2 . . . . A 28 LEU HB2 . 30598 1 304 . 1 . 1 28 28 LEU HB3 H 1 0.982 0.001 . 2 . . . . A 28 LEU HB3 . 30598 1 305 . 1 . 1 28 28 LEU HG H 1 0.818 0.001 . 1 . . . . A 28 LEU HG . 30598 1 306 . 1 . 1 28 28 LEU HD11 H 1 -0.208 0.000 . 2 . . . . A 28 LEU HD11 . 30598 1 307 . 1 . 1 28 28 LEU HD12 H 1 -0.208 0.000 . 2 . . . . A 28 LEU HD12 . 30598 1 308 . 1 . 1 28 28 LEU HD13 H 1 -0.208 0.000 . 2 . . . . A 28 LEU HD13 . 30598 1 309 . 1 . 1 28 28 LEU HD21 H 1 0.359 0.000 . 2 . . . . A 28 LEU HD21 . 30598 1 310 . 1 . 1 28 28 LEU HD22 H 1 0.359 0.000 . 2 . . . . A 28 LEU HD22 . 30598 1 311 . 1 . 1 28 28 LEU HD23 H 1 0.359 0.000 . 2 . . . . A 28 LEU HD23 . 30598 1 312 . 1 . 1 28 28 LEU C C 13 181.547 0.000 . 1 . . . . A 28 LEU C . 30598 1 313 . 1 . 1 28 28 LEU CA C 13 58.235 0.000 . 1 . . . . A 28 LEU CA . 30598 1 314 . 1 . 1 28 28 LEU CB C 13 42.878 0.051 . 1 . . . . A 28 LEU CB . 30598 1 315 . 1 . 1 28 28 LEU CG C 13 26.799 0.014 . 1 . . . . A 28 LEU CG . 30598 1 316 . 1 . 1 28 28 LEU CD1 C 13 25.871 0.001 . 1 . . . . A 28 LEU CD1 . 30598 1 317 . 1 . 1 28 28 LEU CD2 C 13 23.288 0.007 . 1 . . . . A 28 LEU CD2 . 30598 1 318 . 1 . 1 28 28 LEU N N 15 120.574 0.006 . 1 . . . . A 28 LEU N . 30598 1 319 . 1 . 1 29 29 CYS H H 1 8.562 0.002 . 1 . . . . A 29 CYS H . 30598 1 320 . 1 . 1 29 29 CYS HA H 1 3.888 0.013 . 1 . . . . A 29 CYS HA . 30598 1 321 . 1 . 1 29 29 CYS HB2 H 1 2.565 0.000 . 1 . . . . A 29 CYS HB2 . 30598 1 322 . 1 . 1 29 29 CYS HB3 H 1 2.537 0.009 . 1 . . . . A 29 CYS HB3 . 30598 1 323 . 1 . 1 29 29 CYS C C 13 180.587 0.000 . 1 . . . . A 29 CYS C . 30598 1 324 . 1 . 1 29 29 CYS CA C 13 59.051 0.003 . 1 . . . . A 29 CYS CA . 30598 1 325 . 1 . 1 29 29 CYS CB C 13 36.258 0.006 . 1 . . . . A 29 CYS CB . 30598 1 326 . 1 . 1 29 29 CYS N N 15 116.035 0.003 . 1 . . . . A 29 CYS N . 30598 1 327 . 1 . 1 30 30 ILE H H 1 8.315 0.001 . 1 . . . . A 30 ILE H . 30598 1 328 . 1 . 1 30 30 ILE HA H 1 3.943 0.007 . 1 . . . . A 30 ILE HA . 30598 1 329 . 1 . 1 30 30 ILE HB H 1 1.775 0.003 . 1 . . . . A 30 ILE HB . 30598 1 330 . 1 . 1 30 30 ILE HG12 H 1 1.357 0.000 . 2 . . . . A 30 ILE HG12 . 30598 1 331 . 1 . 1 30 30 ILE HG13 H 1 0.884 0.000 . 2 . . . . A 30 ILE HG13 . 30598 1 332 . 1 . 1 30 30 ILE HG21 H 1 0.821 0.000 . 1 . . . . A 30 ILE HG21 . 30598 1 333 . 1 . 1 30 30 ILE HG22 H 1 0.821 0.000 . 1 . . . . A 30 ILE HG22 . 30598 1 334 . 1 . 1 30 30 ILE HG23 H 1 0.821 0.000 . 1 . . . . A 30 ILE HG23 . 30598 1 335 . 1 . 1 30 30 ILE HD11 H 1 0.747 0.000 . 1 . . . . A 30 ILE HD11 . 30598 1 336 . 1 . 1 30 30 ILE HD12 H 1 0.747 0.000 . 1 . . . . A 30 ILE HD12 . 30598 1 337 . 1 . 1 30 30 ILE HD13 H 1 0.747 0.000 . 1 . . . . A 30 ILE HD13 . 30598 1 338 . 1 . 1 30 30 ILE C C 13 183.885 0.000 . 1 . . . . A 30 ILE C . 30598 1 339 . 1 . 1 30 30 ILE CA C 13 65.539 0.026 . 1 . . . . A 30 ILE CA . 30598 1 340 . 1 . 1 30 30 ILE CB C 13 37.865 0.005 . 1 . . . . A 30 ILE CB . 30598 1 341 . 1 . 1 30 30 ILE CG1 C 13 29.807 0.041 . 1 . . . . A 30 ILE CG1 . 30598 1 342 . 1 . 1 30 30 ILE CG2 C 13 16.764 0.001 . 1 . . . . A 30 ILE CG2 . 30598 1 343 . 1 . 1 30 30 ILE CD1 C 13 13.906 0.009 . 1 . . . . A 30 ILE CD1 . 30598 1 344 . 1 . 1 30 30 ILE N N 15 123.265 0.003 . 1 . . . . A 30 ILE N . 30598 1 345 . 1 . 1 31 31 LYS H H 1 8.126 0.000 . 1 . . . . A 31 LYS H . 30598 1 346 . 1 . 1 31 31 LYS HA H 1 4.027 0.004 . 1 . . . . A 31 LYS HA . 30598 1 347 . 1 . 1 31 31 LYS HB2 H 1 1.982 0.004 . 2 . . . . A 31 LYS HB2 . 30598 1 348 . 1 . 1 31 31 LYS HB3 H 1 1.850 0.008 . 2 . . . . A 31 LYS HB3 . 30598 1 349 . 1 . 1 31 31 LYS HG2 H 1 1.313 0.000 . 2 . . . . A 31 LYS HG2 . 30598 1 350 . 1 . 1 31 31 LYS HG3 H 1 1.439 0.001 . 2 . . . . A 31 LYS HG3 . 30598 1 351 . 1 . 1 31 31 LYS HD2 H 1 1.551 0.000 . 2 . . . . A 31 LYS HD2 . 30598 1 352 . 1 . 1 31 31 LYS HD3 H 1 1.551 0.000 . 2 . . . . A 31 LYS HD3 . 30598 1 353 . 1 . 1 31 31 LYS HE2 H 1 2.896 0.001 . 2 . . . . A 31 LYS HE2 . 30598 1 354 . 1 . 1 31 31 LYS HE3 H 1 2.896 0.001 . 2 . . . . A 31 LYS HE3 . 30598 1 355 . 1 . 1 31 31 LYS C C 13 181.020 0.000 . 1 . . . . A 31 LYS C . 30598 1 356 . 1 . 1 31 31 LYS CA C 13 59.160 0.022 . 1 . . . . A 31 LYS CA . 30598 1 357 . 1 . 1 31 31 LYS CB C 13 31.792 0.007 . 1 . . . . A 31 LYS CB . 30598 1 358 . 1 . 1 31 31 LYS CG C 13 25.683 0.011 . 1 . . . . A 31 LYS CG . 30598 1 359 . 1 . 1 31 31 LYS CD C 13 29.072 0.043 . 1 . . . . A 31 LYS CD . 30598 1 360 . 1 . 1 31 31 LYS CE C 13 42.007 0.001 . 1 . . . . A 31 LYS CE . 30598 1 361 . 1 . 1 31 31 LYS N N 15 123.479 0.032 . 1 . . . . A 31 LYS N . 30598 1 362 . 1 . 1 32 32 HIS H H 1 7.360 0.000 . 1 . . . . A 32 HIS H . 30598 1 363 . 1 . 1 32 32 HIS HA H 1 4.359 0.003 . 1 . . . . A 32 HIS HA . 30598 1 364 . 1 . 1 32 32 HIS HB2 H 1 2.700 0.003 . 1 . . . . A 32 HIS HB2 . 30598 1 365 . 1 . 1 32 32 HIS HB3 H 1 3.537 0.001 . 1 . . . . A 32 HIS HB3 . 30598 1 366 . 1 . 1 32 32 HIS HD2 H 1 7.581 0.001 . 1 . . . . A 32 HIS HD2 . 30598 1 367 . 1 . 1 32 32 HIS HE1 H 1 8.556 0.003 . 1 . . . . A 32 HIS HE1 . 30598 1 368 . 1 . 1 32 32 HIS CA C 13 56.110 0.010 . 1 . . . . A 32 HIS CA . 30598 1 369 . 1 . 1 32 32 HIS CB C 13 28.334 0.022 . 1 . . . . A 32 HIS CB . 30598 1 370 . 1 . 1 32 32 HIS CD2 C 13 120.552 0.022 . 1 . . . . A 32 HIS CD2 . 30598 1 371 . 1 . 1 32 32 HIS CE1 C 13 135.774 0.013 . 1 . . . . A 32 HIS CE1 . 30598 1 372 . 1 . 1 32 32 HIS N N 15 115.530 0.008 . 1 . . . . A 32 HIS N . 30598 1 373 . 1 . 1 33 33 GLY H H 1 7.783 0.001 . 1 . . . . A 33 GLY H . 30598 1 374 . 1 . 1 33 33 GLY HA2 H 1 3.726 0.003 . 1 . . . . A 33 GLY HA2 . 30598 1 375 . 1 . 1 33 33 GLY HA3 H 1 4.119 0.001 . 1 . . . . A 33 GLY HA3 . 30598 1 376 . 1 . 1 33 33 GLY C C 13 177.393 0.000 . 1 . . . . A 33 GLY C . 30598 1 377 . 1 . 1 33 33 GLY CA C 13 45.597 0.007 . 1 . . . . A 33 GLY CA . 30598 1 378 . 1 . 1 33 33 GLY N N 15 104.854 0.007 . 1 . . . . A 33 GLY N . 30598 1 379 . 1 . 1 34 34 ALA H H 1 8.060 0.001 . 1 . . . . A 34 ALA H . 30598 1 380 . 1 . 1 34 34 ALA HA H 1 4.755 0.011 . 1 . . . . A 34 ALA HA . 30598 1 381 . 1 . 1 34 34 ALA HB1 H 1 1.236 0.000 . 1 . . . . A 34 ALA HB1 . 30598 1 382 . 1 . 1 34 34 ALA HB2 H 1 1.236 0.000 . 1 . . . . A 34 ALA HB2 . 30598 1 383 . 1 . 1 34 34 ALA HB3 H 1 1.236 0.000 . 1 . . . . A 34 ALA HB3 . 30598 1 384 . 1 . 1 34 34 ALA C C 13 178.344 0.000 . 1 . . . . A 34 ALA C . 30598 1 385 . 1 . 1 34 34 ALA CA C 13 50.284 0.000 . 1 . . . . A 34 ALA CA . 30598 1 386 . 1 . 1 34 34 ALA CB C 13 20.203 0.006 . 1 . . . . A 34 ALA CB . 30598 1 387 . 1 . 1 34 34 ALA N N 15 121.496 0.008 . 1 . . . . A 34 ALA N . 30598 1 388 . 1 . 1 35 35 GLU H H 1 8.114 0.000 . 1 . . . . A 35 GLU H . 30598 1 389 . 1 . 1 35 35 GLU HA H 1 4.090 0.001 . 1 . . . . A 35 GLU HA . 30598 1 390 . 1 . 1 35 35 GLU HB2 H 1 1.988 0.016 . 2 . . . . A 35 GLU HB2 . 30598 1 391 . 1 . 1 35 35 GLU HB3 H 1 1.811 0.013 . 2 . . . . A 35 GLU HB3 . 30598 1 392 . 1 . 1 35 35 GLU HG2 H 1 2.070 0.001 . 2 . . . . A 35 GLU HG2 . 30598 1 393 . 1 . 1 35 35 GLU HG3 H 1 2.215 0.000 . 2 . . . . A 35 GLU HG3 . 30598 1 394 . 1 . 1 35 35 GLU C C 13 179.331 0.000 . 1 . . . . A 35 GLU C . 30598 1 395 . 1 . 1 35 35 GLU CA C 13 58.619 0.000 . 1 . . . . A 35 GLU CA . 30598 1 396 . 1 . 1 35 35 GLU CB C 13 32.160 0.006 . 1 . . . . A 35 GLU CB . 30598 1 397 . 1 . 1 35 35 GLU CG C 13 37.256 0.017 . 1 . . . . A 35 GLU CG . 30598 1 398 . 1 . 1 35 35 GLU N N 15 117.966 0.015 . 1 . . . . A 35 GLU N . 30598 1 399 . 1 . 1 36 36 SER H H 1 7.542 0.001 . 1 . . . . A 36 SER H . 30598 1 400 . 1 . 1 36 36 SER HA H 1 4.551 0.000 . 1 . . . . A 36 SER HA . 30598 1 401 . 1 . 1 36 36 SER HB2 H 1 3.978 0.000 . 2 . . . . A 36 SER HB2 . 30598 1 402 . 1 . 1 36 36 SER HB3 H 1 4.003 0.014 . 2 . . . . A 36 SER HB3 . 30598 1 403 . 1 . 1 36 36 SER C C 13 175.833 0.000 . 1 . . . . A 36 SER C . 30598 1 404 . 1 . 1 36 36 SER CA C 13 57.456 0.004 . 1 . . . . A 36 SER CA . 30598 1 405 . 1 . 1 36 36 SER CB C 13 64.705 0.030 . 1 . . . . A 36 SER CB . 30598 1 406 . 1 . 1 36 36 SER N N 15 106.962 0.010 . 1 . . . . A 36 SER N . 30598 1 407 . 1 . 1 37 37 GLY H H 1 8.837 0.001 . 1 . . . . A 37 GLY H . 30598 1 408 . 1 . 1 37 37 GLY HA2 H 1 5.225 0.008 . 1 . . . . A 37 GLY HA2 . 30598 1 409 . 1 . 1 37 37 GLY HA3 H 1 3.922 0.002 . 1 . . . . A 37 GLY HA3 . 30598 1 410 . 1 . 1 37 37 GLY C C 13 173.802 0.000 . 1 . . . . A 37 GLY C . 30598 1 411 . 1 . 1 37 37 GLY CA C 13 46.420 0.000 . 1 . . . . A 37 GLY CA . 30598 1 412 . 1 . 1 37 37 GLY N N 15 106.522 0.001 . 1 . . . . A 37 GLY N . 30598 1 413 . 1 . 1 38 38 GLU H H 1 9.231 0.001 . 1 . . . . A 38 GLU H . 30598 1 414 . 1 . 1 38 38 GLU HA H 1 4.644 0.002 . 1 . . . . A 38 GLU HA . 30598 1 415 . 1 . 1 38 38 GLU HB2 H 1 2.062 0.001 . 1 . . . . A 38 GLU HB2 . 30598 1 416 . 1 . 1 38 38 GLU HB3 H 1 2.015 0.018 . 1 . . . . A 38 GLU HB3 . 30598 1 417 . 1 . 1 38 38 GLU HG2 H 1 2.269 0.000 . 2 . . . . A 38 GLU HG2 . 30598 1 418 . 1 . 1 38 38 GLU HG3 H 1 2.064 0.000 . 2 . . . . A 38 GLU HG3 . 30598 1 419 . 1 . 1 38 38 GLU C C 13 176.091 0.000 . 1 . . . . A 38 GLU C . 30598 1 420 . 1 . 1 38 38 GLU CA C 13 54.716 0.026 . 1 . . . . A 38 GLU CA . 30598 1 421 . 1 . 1 38 38 GLU CB C 13 33.648 0.020 . 1 . . . . A 38 GLU CB . 30598 1 422 . 1 . 1 38 38 GLU CG C 13 35.644 0.015 . 1 . . . . A 38 GLU CG . 30598 1 423 . 1 . 1 38 38 GLU N N 15 114.829 0.007 . 1 . . . . A 38 GLU N . 30598 1 424 . 1 . 1 39 39 CYS H H 1 10.118 0.002 . 1 . . . . A 39 CYS H . 30598 1 425 . 1 . 1 39 39 CYS HA H 1 5.227 0.005 . 1 . . . . A 39 CYS HA . 30598 1 426 . 1 . 1 39 39 CYS HB2 H 1 2.910 0.007 . 1 . . . . A 39 CYS HB2 . 30598 1 427 . 1 . 1 39 39 CYS HB3 H 1 2.908 0.000 . 1 . . . . A 39 CYS HB3 . 30598 1 428 . 1 . 1 39 39 CYS C C 13 175.683 0.000 . 1 . . . . A 39 CYS C . 30598 1 429 . 1 . 1 39 39 CYS CA C 13 55.458 0.038 . 1 . . . . A 39 CYS CA . 30598 1 430 . 1 . 1 39 39 CYS CB C 13 36.487 0.001 . 1 . . . . A 39 CYS CB . 30598 1 431 . 1 . 1 39 39 CYS N N 15 124.555 0.011 . 1 . . . . A 39 CYS N . 30598 1 432 . 1 . 1 40 40 LYS H H 1 8.715 0.002 . 1 . . . . A 40 LYS H . 30598 1 433 . 1 . 1 40 40 LYS HA H 1 4.752 0.008 . 1 . . . . A 40 LYS HA . 30598 1 434 . 1 . 1 40 40 LYS HB2 H 1 1.994 0.000 . 1 . . . . A 40 LYS HB2 . 30598 1 435 . 1 . 1 40 40 LYS HB3 H 1 1.778 0.000 . 1 . . . . A 40 LYS HB3 . 30598 1 436 . 1 . 1 40 40 LYS HG2 H 1 1.590 0.002 . 2 . . . . A 40 LYS HG2 . 30598 1 437 . 1 . 1 40 40 LYS HG3 H 1 1.350 0.001 . 2 . . . . A 40 LYS HG3 . 30598 1 438 . 1 . 1 40 40 LYS HD2 H 1 0.919 0.001 . 2 . . . . A 40 LYS HD2 . 30598 1 439 . 1 . 1 40 40 LYS HD3 H 1 0.796 0.001 . 2 . . . . A 40 LYS HD3 . 30598 1 440 . 1 . 1 40 40 LYS HE2 H 1 2.178 0.000 . 2 . . . . A 40 LYS HE2 . 30598 1 441 . 1 . 1 40 40 LYS HE3 H 1 2.151 0.001 . 2 . . . . A 40 LYS HE3 . 30598 1 442 . 1 . 1 40 40 LYS C C 13 177.634 0.000 . 1 . . . . A 40 LYS C . 30598 1 443 . 1 . 1 40 40 LYS CA C 13 55.313 0.000 . 1 . . . . A 40 LYS CA . 30598 1 444 . 1 . 1 40 40 LYS CB C 13 37.521 0.004 . 1 . . . . A 40 LYS CB . 30598 1 445 . 1 . 1 40 40 LYS CG C 13 24.968 0.016 . 1 . . . . A 40 LYS CG . 30598 1 446 . 1 . 1 40 40 LYS CD C 13 29.394 0.003 . 1 . . . . A 40 LYS CD . 30598 1 447 . 1 . 1 40 40 LYS CE C 13 41.602 0.005 . 1 . . . . A 40 LYS CE . 30598 1 448 . 1 . 1 40 40 LYS N N 15 131.085 0.009 . 1 . . . . A 40 LYS N . 30598 1 449 . 1 . 1 41 41 TRP H H 1 8.546 0.001 . 1 . . . . A 41 TRP H . 30598 1 450 . 1 . 1 41 41 TRP HA H 1 4.468 0.000 . 1 . . . . A 41 TRP HA . 30598 1 451 . 1 . 1 41 41 TRP HB2 H 1 3.210 0.000 . 1 . . . . A 41 TRP HB2 . 30598 1 452 . 1 . 1 41 41 TRP HB3 H 1 3.053 0.001 . 1 . . . . A 41 TRP HB3 . 30598 1 453 . 1 . 1 41 41 TRP HD1 H 1 7.234 0.000 . 1 . . . . A 41 TRP HD1 . 30598 1 454 . 1 . 1 41 41 TRP HE1 H 1 9.951 0.001 . 1 . . . . A 41 TRP HE1 . 30598 1 455 . 1 . 1 41 41 TRP HE3 H 1 7.372 0.000 . 1 . . . . A 41 TRP HE3 . 30598 1 456 . 1 . 1 41 41 TRP HZ2 H 1 7.339 0.000 . 1 . . . . A 41 TRP HZ2 . 30598 1 457 . 1 . 1 41 41 TRP HZ3 H 1 6.981 0.001 . 1 . . . . A 41 TRP HZ3 . 30598 1 458 . 1 . 1 41 41 TRP HH2 H 1 7.105 0.000 . 1 . . . . A 41 TRP HH2 . 30598 1 459 . 1 . 1 41 41 TRP CA C 13 60.198 0.000 . 1 . . . . A 41 TRP CA . 30598 1 460 . 1 . 1 41 41 TRP CB C 13 29.481 0.014 . 1 . . . . A 41 TRP CB . 30598 1 461 . 1 . 1 41 41 TRP CD1 C 13 127.809 0.001 . 1 . . . . A 41 TRP CD1 . 30598 1 462 . 1 . 1 41 41 TRP CE3 C 13 120.805 0.019 . 1 . . . . A 41 TRP CE3 . 30598 1 463 . 1 . 1 41 41 TRP CZ2 C 13 113.992 0.025 . 1 . . . . A 41 TRP CZ2 . 30598 1 464 . 1 . 1 41 41 TRP CZ3 C 13 122.100 0.006 . 1 . . . . A 41 TRP CZ3 . 30598 1 465 . 1 . 1 41 41 TRP CH2 C 13 124.163 0.042 . 1 . . . . A 41 TRP CH2 . 30598 1 466 . 1 . 1 41 41 TRP N N 15 125.131 0.002 . 1 . . . . A 41 TRP N . 30598 1 467 . 1 . 1 41 41 TRP NE1 N 15 129.439 0.000 . 1 . . . . A 41 TRP NE1 . 30598 1 468 . 1 . 1 43 43 THR H H 1 7.594 0.001 . 1 . . . . A 43 THR H . 30598 1 469 . 1 . 1 43 43 THR HA H 1 3.822 0.000 . 1 . . . . A 43 THR HA . 30598 1 470 . 1 . 1 43 43 THR HB H 1 4.201 0.001 . 1 . . . . A 43 THR HB . 30598 1 471 . 1 . 1 43 43 THR HG21 H 1 0.756 0.000 . 1 . . . . A 43 THR HG21 . 30598 1 472 . 1 . 1 43 43 THR HG22 H 1 0.756 0.000 . 1 . . . . A 43 THR HG22 . 30598 1 473 . 1 . 1 43 43 THR HG23 H 1 0.756 0.000 . 1 . . . . A 43 THR HG23 . 30598 1 474 . 1 . 1 43 43 THR C C 13 177.493 0.000 . 1 . . . . A 43 THR C . 30598 1 475 . 1 . 1 43 43 THR CA C 13 60.628 0.000 . 1 . . . . A 43 THR CA . 30598 1 476 . 1 . 1 43 43 THR CB C 13 72.143 0.005 . 1 . . . . A 43 THR CB . 30598 1 477 . 1 . 1 43 43 THR CG2 C 13 21.266 0.027 . 1 . . . . A 43 THR CG2 . 30598 1 478 . 1 . 1 43 43 THR N N 15 109.961 0.010 . 1 . . . . A 43 THR N . 30598 1 479 . 1 . 1 44 44 SER H H 1 8.616 0.001 . 1 . . . . A 44 SER H . 30598 1 480 . 1 . 1 44 44 SER HA H 1 4.263 0.001 . 1 . . . . A 44 SER HA . 30598 1 481 . 1 . 1 44 44 SER HB2 H 1 4.063 0.003 . 2 . . . . A 44 SER HB2 . 30598 1 482 . 1 . 1 44 44 SER HB3 H 1 4.032 0.000 . 2 . . . . A 44 SER HB3 . 30598 1 483 . 1 . 1 44 44 SER C C 13 177.868 0.000 . 1 . . . . A 44 SER C . 30598 1 484 . 1 . 1 44 44 SER CA C 13 60.617 0.046 . 1 . . . . A 44 SER CA . 30598 1 485 . 1 . 1 44 44 SER CB C 13 62.959 0.002 . 1 . . . . A 44 SER CB . 30598 1 486 . 1 . 1 44 44 SER N N 15 114.730 0.003 . 1 . . . . A 44 SER N . 30598 1 487 . 1 . 1 45 45 SER H H 1 7.949 0.000 . 1 . . . . A 45 SER H . 30598 1 488 . 1 . 1 45 45 SER HA H 1 4.536 0.003 . 1 . . . . A 45 SER HA . 30598 1 489 . 1 . 1 45 45 SER HB2 H 1 3.788 0.000 . 2 . . . . A 45 SER HB2 . 30598 1 490 . 1 . 1 45 45 SER HB3 H 1 3.732 0.001 . 2 . . . . A 45 SER HB3 . 30598 1 491 . 1 . 1 45 45 SER C C 13 176.937 0.000 . 1 . . . . A 45 SER C . 30598 1 492 . 1 . 1 45 45 SER CA C 13 58.500 0.016 . 1 . . . . A 45 SER CA . 30598 1 493 . 1 . 1 45 45 SER CB C 13 64.164 0.014 . 1 . . . . A 45 SER CB . 30598 1 494 . 1 . 1 45 45 SER N N 15 114.292 0.006 . 1 . . . . A 45 SER N . 30598 1 495 . 1 . 1 46 46 GLY H H 1 7.507 0.001 . 1 . . . . A 46 GLY H . 30598 1 496 . 1 . 1 46 46 GLY HA2 H 1 4.064 0.000 . 2 . . . . A 46 GLY HA2 . 30598 1 497 . 1 . 1 46 46 GLY HA3 H 1 3.804 0.001 . 2 . . . . A 46 GLY HA3 . 30598 1 498 . 1 . 1 46 46 GLY CA C 13 45.699 0.021 . 1 . . . . A 46 GLY CA . 30598 1 499 . 1 . 1 46 46 GLY N N 15 109.835 0.003 . 1 . . . . A 46 GLY N . 30598 1 500 . 1 . 1 47 47 ASN H H 1 8.707 0.000 . 1 . . . . A 47 ASN H . 30598 1 501 . 1 . 1 47 47 ASN HA H 1 5.176 0.000 . 1 . . . . A 47 ASN HA . 30598 1 502 . 1 . 1 47 47 ASN HB2 H 1 2.756 0.000 . 2 . . . . A 47 ASN HB2 . 30598 1 503 . 1 . 1 47 47 ASN HB3 H 1 2.645 0.001 . 2 . . . . A 47 ASN HB3 . 30598 1 504 . 1 . 1 47 47 ASN C C 13 178.292 0.000 . 1 . . . . A 47 ASN C . 30598 1 505 . 1 . 1 47 47 ASN CA C 13 52.446 0.031 . 1 . . . . A 47 ASN CA . 30598 1 506 . 1 . 1 47 47 ASN CB C 13 41.204 0.066 . 1 . . . . A 47 ASN CB . 30598 1 507 . 1 . 1 47 47 ASN N N 15 120.938 0.000 . 1 . . . . A 47 ASN N . 30598 1 508 . 1 . 1 48 48 ALA H H 1 9.717 0.001 . 1 . . . . A 48 ALA H . 30598 1 509 . 1 . 1 48 48 ALA HA H 1 5.259 0.005 . 1 . . . . A 48 ALA HA . 30598 1 510 . 1 . 1 48 48 ALA HB1 H 1 0.970 0.005 . 1 . . . . A 48 ALA HB1 . 30598 1 511 . 1 . 1 48 48 ALA HB2 H 1 0.970 0.005 . 1 . . . . A 48 ALA HB2 . 30598 1 512 . 1 . 1 48 48 ALA HB3 H 1 0.970 0.005 . 1 . . . . A 48 ALA HB3 . 30598 1 513 . 1 . 1 48 48 ALA C C 13 180.748 0.000 . 1 . . . . A 48 ALA C . 30598 1 514 . 1 . 1 48 48 ALA CA C 13 51.428 0.005 . 1 . . . . A 48 ALA CA . 30598 1 515 . 1 . 1 48 48 ALA CB C 13 23.626 0.085 . 1 . . . . A 48 ALA CB . 30598 1 516 . 1 . 1 48 48 ALA N N 15 123.980 0.011 . 1 . . . . A 48 ALA N . 30598 1 517 . 1 . 1 49 49 CYS H H 1 8.150 0.001 . 1 . . . . A 49 CYS H . 30598 1 518 . 1 . 1 49 49 CYS HA H 1 5.469 0.008 . 1 . . . . A 49 CYS HA . 30598 1 519 . 1 . 1 49 49 CYS HB2 H 1 2.635 0.002 . 1 . . . . A 49 CYS HB2 . 30598 1 520 . 1 . 1 49 49 CYS HB3 H 1 2.694 0.000 . 1 . . . . A 49 CYS HB3 . 30598 1 521 . 1 . 1 49 49 CYS C C 13 176.604 0.000 . 1 . . . . A 49 CYS C . 30598 1 522 . 1 . 1 49 49 CYS CA C 13 53.705 0.044 . 1 . . . . A 49 CYS CA . 30598 1 523 . 1 . 1 49 49 CYS CB C 13 33.632 0.019 . 1 . . . . A 49 CYS CB . 30598 1 524 . 1 . 1 49 49 CYS N N 15 115.798 0.003 . 1 . . . . A 49 CYS N . 30598 1 525 . 1 . 1 50 50 TRP H H 1 9.676 0.001 . 1 . . . . A 50 TRP H . 30598 1 526 . 1 . 1 50 50 TRP HA H 1 4.705 0.003 . 1 . . . . A 50 TRP HA . 30598 1 527 . 1 . 1 50 50 TRP HB2 H 1 3.060 0.000 . 1 . . . . A 50 TRP HB2 . 30598 1 528 . 1 . 1 50 50 TRP HB3 H 1 2.727 0.009 . 1 . . . . A 50 TRP HB3 . 30598 1 529 . 1 . 1 50 50 TRP HE1 H 1 10.262 0.000 . 1 . . . . A 50 TRP HE1 . 30598 1 530 . 1 . 1 50 50 TRP HZ2 H 1 7.283 0.001 . 1 . . . . A 50 TRP HZ2 . 30598 1 531 . 1 . 1 50 50 TRP HZ3 H 1 6.704 0.000 . 1 . . . . A 50 TRP HZ3 . 30598 1 532 . 1 . 1 50 50 TRP HH2 H 1 7.007 0.002 . 1 . . . . A 50 TRP HH2 . 30598 1 533 . 1 . 1 50 50 TRP C C 13 176.823 0.000 . 1 . . . . A 50 TRP C . 30598 1 534 . 1 . 1 50 50 TRP CA C 13 55.923 0.000 . 1 . . . . A 50 TRP CA . 30598 1 535 . 1 . 1 50 50 TRP CB C 13 32.764 0.010 . 1 . . . . A 50 TRP CB . 30598 1 536 . 1 . 1 50 50 TRP CZ2 C 13 114.283 0.033 . 1 . . . . A 50 TRP CZ2 . 30598 1 537 . 1 . 1 50 50 TRP CZ3 C 13 121.986 0.056 . 1 . . . . A 50 TRP CZ3 . 30598 1 538 . 1 . 1 50 50 TRP CH2 C 13 124.127 0.025 . 1 . . . . A 50 TRP CH2 . 30598 1 539 . 1 . 1 50 50 TRP N N 15 129.706 0.009 . 1 . . . . A 50 TRP N . 30598 1 540 . 1 . 1 50 50 TRP NE1 N 15 129.579 0.000 . 1 . . . . A 50 TRP NE1 . 30598 1 541 . 1 . 1 51 51 CYS H H 1 8.561 0.002 . 1 . . . . A 51 CYS H . 30598 1 542 . 1 . 1 51 51 CYS HA H 1 5.411 0.009 . 1 . . . . A 51 CYS HA . 30598 1 543 . 1 . 1 51 51 CYS HB2 H 1 2.368 0.001 . 1 . . . . A 51 CYS HB2 . 30598 1 544 . 1 . 1 51 51 CYS HB3 H 1 2.805 0.010 . 1 . . . . A 51 CYS HB3 . 30598 1 545 . 1 . 1 51 51 CYS C C 13 175.061 0.000 . 1 . . . . A 51 CYS C . 30598 1 546 . 1 . 1 51 51 CYS CA C 13 50.228 0.027 . 1 . . . . A 51 CYS CA . 30598 1 547 . 1 . 1 51 51 CYS CB C 13 38.980 0.034 . 1 . . . . A 51 CYS CB . 30598 1 548 . 1 . 1 51 51 CYS N N 15 121.710 0.000 . 1 . . . . A 51 CYS N . 30598 1 549 . 1 . 1 52 52 VAL H H 1 8.107 0.001 . 1 . . . . A 52 VAL H . 30598 1 550 . 1 . 1 52 52 VAL HA H 1 3.736 0.001 . 1 . . . . A 52 VAL HA . 30598 1 551 . 1 . 1 52 52 VAL HB H 1 1.930 0.003 . 1 . . . . A 52 VAL HB . 30598 1 552 . 1 . 1 52 52 VAL HG11 H 1 0.867 0.000 . 2 . . . . A 52 VAL HG11 . 30598 1 553 . 1 . 1 52 52 VAL HG12 H 1 0.867 0.000 . 2 . . . . A 52 VAL HG12 . 30598 1 554 . 1 . 1 52 52 VAL HG13 H 1 0.867 0.000 . 2 . . . . A 52 VAL HG13 . 30598 1 555 . 1 . 1 52 52 VAL HG21 H 1 0.819 0.000 . 2 . . . . A 52 VAL HG21 . 30598 1 556 . 1 . 1 52 52 VAL HG22 H 1 0.819 0.000 . 2 . . . . A 52 VAL HG22 . 30598 1 557 . 1 . 1 52 52 VAL HG23 H 1 0.819 0.000 . 2 . . . . A 52 VAL HG23 . 30598 1 558 . 1 . 1 52 52 VAL C C 13 178.515 0.000 . 1 . . . . A 52 VAL C . 30598 1 559 . 1 . 1 52 52 VAL CA C 13 61.508 0.047 . 1 . . . . A 52 VAL CA . 30598 1 560 . 1 . 1 52 52 VAL CB C 13 32.362 0.006 . 1 . . . . A 52 VAL CB . 30598 1 561 . 1 . 1 52 52 VAL CG1 C 13 21.041 0.004 . 1 . . . . A 52 VAL CG1 . 30598 1 562 . 1 . 1 52 52 VAL CG2 C 13 22.098 0.004 . 1 . . . . A 52 VAL CG2 . 30598 1 563 . 1 . 1 52 52 VAL N N 15 121.937 0.019 . 1 . . . . A 52 VAL N . 30598 1 564 . 1 . 1 53 53 LYS H H 1 9.418 0.002 . 1 . . . . A 53 LYS H . 30598 1 565 . 1 . 1 53 53 LYS HA H 1 3.137 0.003 . 1 . . . . A 53 LYS HA . 30598 1 566 . 1 . 1 53 53 LYS HB2 H 1 1.650 0.001 . 1 . . . . A 53 LYS HB2 . 30598 1 567 . 1 . 1 53 53 LYS HB3 H 1 1.933 0.009 . 1 . . . . A 53 LYS HB3 . 30598 1 568 . 1 . 1 53 53 LYS HG2 H 1 1.424 0.000 . 1 . . . . A 53 LYS HG2 . 30598 1 569 . 1 . 1 53 53 LYS HG3 H 1 1.179 0.000 . 1 . . . . A 53 LYS HG3 . 30598 1 570 . 1 . 1 53 53 LYS HD2 H 1 1.599 0.000 . 1 . . . . A 53 LYS HD2 . 30598 1 571 . 1 . 1 53 53 LYS HD3 H 1 1.494 0.000 . 1 . . . . A 53 LYS HD3 . 30598 1 572 . 1 . 1 53 53 LYS HE2 H 1 2.940 0.000 . 2 . . . . A 53 LYS HE2 . 30598 1 573 . 1 . 1 53 53 LYS HE3 H 1 2.857 0.000 . 2 . . . . A 53 LYS HE3 . 30598 1 574 . 1 . 1 53 53 LYS C C 13 177.532 0.000 . 1 . . . . A 53 LYS C . 30598 1 575 . 1 . 1 53 53 LYS CA C 13 58.033 0.005 . 1 . . . . A 53 LYS CA . 30598 1 576 . 1 . 1 53 53 LYS CB C 13 29.446 0.122 . 1 . . . . A 53 LYS CB . 30598 1 577 . 1 . 1 53 53 LYS CG C 13 25.729 0.005 . 1 . . . . A 53 LYS CG . 30598 1 578 . 1 . 1 53 53 LYS CD C 13 29.547 0.004 . 1 . . . . A 53 LYS CD . 30598 1 579 . 1 . 1 53 53 LYS CE C 13 42.510 0.000 . 1 . . . . A 53 LYS CE . 30598 1 580 . 1 . 1 53 53 LYS N N 15 124.126 0.003 . 1 . . . . A 53 LYS N . 30598 1 581 . 1 . 1 54 54 LEU H H 1 8.616 0.001 . 1 . . . . A 54 LEU H . 30598 1 582 . 1 . 1 54 54 LEU HA H 1 4.201 0.001 . 1 . . . . A 54 LEU HA . 30598 1 583 . 1 . 1 54 54 LEU HB2 H 1 1.936 0.001 . 2 . . . . A 54 LEU HB2 . 30598 1 584 . 1 . 1 54 54 LEU HB3 H 1 0.922 0.000 . 2 . . . . A 54 LEU HB3 . 30598 1 585 . 1 . 1 54 54 LEU HG H 1 0.533 0.001 . 1 . . . . A 54 LEU HG . 30598 1 586 . 1 . 1 54 54 LEU HD11 H 1 0.869 0.000 . 1 . . . . A 54 LEU HD11 . 30598 1 587 . 1 . 1 54 54 LEU HD12 H 1 0.869 0.000 . 1 . . . . A 54 LEU HD12 . 30598 1 588 . 1 . 1 54 54 LEU HD13 H 1 0.869 0.000 . 1 . . . . A 54 LEU HD13 . 30598 1 589 . 1 . 1 54 54 LEU HD21 H 1 1.608 0.000 . 1 . . . . A 54 LEU HD21 . 30598 1 590 . 1 . 1 54 54 LEU HD22 H 1 1.608 0.000 . 1 . . . . A 54 LEU HD22 . 30598 1 591 . 1 . 1 54 54 LEU HD23 H 1 1.608 0.000 . 1 . . . . A 54 LEU HD23 . 30598 1 592 . 1 . 1 54 54 LEU CA C 13 52.419 0.006 . 1 . . . . A 54 LEU CA . 30598 1 593 . 1 . 1 54 54 LEU CB C 13 43.969 0.007 . 1 . . . . A 54 LEU CB . 30598 1 594 . 1 . 1 54 54 LEU CG C 13 26.712 0.000 . 1 . . . . A 54 LEU CG . 30598 1 595 . 1 . 1 54 54 LEU CD1 C 13 25.447 0.000 . 1 . . . . A 54 LEU CD1 . 30598 1 596 . 1 . 1 54 54 LEU CD2 C 13 25.869 0.000 . 1 . . . . A 54 LEU CD2 . 30598 1 597 . 1 . 1 54 54 LEU N N 15 123.202 0.008 . 1 . . . . A 54 LEU N . 30598 1 598 . 1 . 1 55 55 PRO HA H 1 4.579 0.003 . 1 . . . . A 55 PRO HA . 30598 1 599 . 1 . 1 55 55 PRO HB2 H 1 1.945 0.002 . 1 . . . . A 55 PRO HB2 . 30598 1 600 . 1 . 1 55 55 PRO HB3 H 1 2.505 0.004 . 1 . . . . A 55 PRO HB3 . 30598 1 601 . 1 . 1 55 55 PRO HG2 H 1 2.274 0.000 . 1 . . . . A 55 PRO HG2 . 30598 1 602 . 1 . 1 55 55 PRO HG3 H 1 1.948 0.001 . 1 . . . . A 55 PRO HG3 . 30598 1 603 . 1 . 1 55 55 PRO HD2 H 1 3.639 0.000 . 1 . . . . A 55 PRO HD2 . 30598 1 604 . 1 . 1 55 55 PRO HD3 H 1 3.895 0.000 . 1 . . . . A 55 PRO HD3 . 30598 1 605 . 1 . 1 55 55 PRO C C 13 181.733 0.000 . 1 . . . . A 55 PRO C . 30598 1 606 . 1 . 1 55 55 PRO CA C 13 64.087 0.026 . 1 . . . . A 55 PRO CA . 30598 1 607 . 1 . 1 55 55 PRO CB C 13 32.812 0.012 . 1 . . . . A 55 PRO CB . 30598 1 608 . 1 . 1 55 55 PRO CG C 13 28.536 0.019 . 1 . . . . A 55 PRO CG . 30598 1 609 . 1 . 1 55 55 PRO CD C 13 51.070 0.034 . 1 . . . . A 55 PRO CD . 30598 1 610 . 1 . 1 56 56 LYS H H 1 8.414 0.001 . 1 . . . . A 56 LYS H . 30598 1 611 . 1 . 1 56 56 LYS HA H 1 3.831 0.002 . 1 . . . . A 56 LYS HA . 30598 1 612 . 1 . 1 56 56 LYS HB2 H 1 1.784 0.002 . 2 . . . . A 56 LYS HB2 . 30598 1 613 . 1 . 1 56 56 LYS HB3 H 1 1.653 0.006 . 2 . . . . A 56 LYS HB3 . 30598 1 614 . 1 . 1 56 56 LYS HG2 H 1 1.249 0.000 . 2 . . . . A 56 LYS HG2 . 30598 1 615 . 1 . 1 56 56 LYS HG3 H 1 1.189 0.000 . 2 . . . . A 56 LYS HG3 . 30598 1 616 . 1 . 1 56 56 LYS C C 13 177.900 0.000 . 1 . . . . A 56 LYS C . 30598 1 617 . 1 . 1 56 56 LYS CA C 13 59.382 0.022 . 1 . . . . A 56 LYS CA . 30598 1 618 . 1 . 1 56 56 LYS CB C 13 32.639 0.042 . 1 . . . . A 56 LYS CB . 30598 1 619 . 1 . 1 56 56 LYS CG C 13 25.829 0.003 . 1 . . . . A 56 LYS CG . 30598 1 620 . 1 . 1 56 56 LYS N N 15 124.380 0.005 . 1 . . . . A 56 LYS N . 30598 1 621 . 1 . 1 57 57 SER H H 1 7.794 0.002 . 1 . . . . A 57 SER H . 30598 1 622 . 1 . 1 57 57 SER HA H 1 4.090 0.011 . 1 . . . . A 57 SER HA . 30598 1 623 . 1 . 1 57 57 SER HB2 H 1 3.817 0.006 . 2 . . . . A 57 SER HB2 . 30598 1 624 . 1 . 1 57 57 SER HB3 H 1 3.990 0.000 . 2 . . . . A 57 SER HB3 . 30598 1 625 . 1 . 1 57 57 SER C C 13 178.344 0.000 . 1 . . . . A 57 SER C . 30598 1 626 . 1 . 1 57 57 SER CA C 13 59.460 0.006 . 1 . . . . A 57 SER CA . 30598 1 627 . 1 . 1 57 57 SER CB C 13 62.771 0.015 . 1 . . . . A 57 SER CB . 30598 1 628 . 1 . 1 57 57 SER N N 15 110.419 0.011 . 1 . . . . A 57 SER N . 30598 1 629 . 1 . 1 58 58 GLU H H 1 7.733 0.001 . 1 . . . . A 58 GLU H . 30598 1 630 . 1 . 1 58 58 GLU HA H 1 4.500 0.001 . 1 . . . . A 58 GLU HA . 30598 1 631 . 1 . 1 58 58 GLU HB2 H 1 2.135 0.000 . 2 . . . . A 58 GLU HB2 . 30598 1 632 . 1 . 1 58 58 GLU HB3 H 1 1.902 0.000 . 2 . . . . A 58 GLU HB3 . 30598 1 633 . 1 . 1 58 58 GLU HG2 H 1 2.255 0.000 . 2 . . . . A 58 GLU HG2 . 30598 1 634 . 1 . 1 58 58 GLU HG3 H 1 2.908 0.000 . 2 . . . . A 58 GLU HG3 . 30598 1 635 . 1 . 1 58 58 GLU CA C 13 53.874 0.000 . 1 . . . . A 58 GLU CA . 30598 1 636 . 1 . 1 58 58 GLU CB C 13 28.964 0.003 . 1 . . . . A 58 GLU CB . 30598 1 637 . 1 . 1 58 58 GLU CG C 13 36.518 0.005 . 1 . . . . A 58 GLU CG . 30598 1 638 . 1 . 1 58 58 GLU N N 15 123.347 0.003 . 1 . . . . A 58 GLU N . 30598 1 639 . 1 . 1 59 59 PRO HA H 1 4.353 0.001 . 1 . . . . A 59 PRO HA . 30598 1 640 . 1 . 1 59 59 PRO HB2 H 1 1.791 0.003 . 1 . . . . A 59 PRO HB2 . 30598 1 641 . 1 . 1 59 59 PRO HB3 H 1 2.154 0.000 . 1 . . . . A 59 PRO HB3 . 30598 1 642 . 1 . 1 59 59 PRO HG2 H 1 2.369 0.001 . 1 . . . . A 59 PRO HG2 . 30598 1 643 . 1 . 1 59 59 PRO HG3 H 1 1.971 0.000 . 1 . . . . A 59 PRO HG3 . 30598 1 644 . 1 . 1 59 59 PRO HD2 H 1 3.886 0.000 . 1 . . . . A 59 PRO HD2 . 30598 1 645 . 1 . 1 59 59 PRO HD3 H 1 3.833 0.001 . 1 . . . . A 59 PRO HD3 . 30598 1 646 . 1 . 1 59 59 PRO C C 13 178.809 0.000 . 1 . . . . A 59 PRO C . 30598 1 647 . 1 . 1 59 59 PRO CA C 13 63.051 0.037 . 1 . . . . A 59 PRO CA . 30598 1 648 . 1 . 1 59 59 PRO CB C 13 32.536 0.000 . 1 . . . . A 59 PRO CB . 30598 1 649 . 1 . 1 59 59 PRO CG C 13 27.357 0.008 . 1 . . . . A 59 PRO CG . 30598 1 650 . 1 . 1 59 59 PRO CD C 13 50.546 0.005 . 1 . . . . A 59 PRO CD . 30598 1 651 . 1 . 1 60 60 ILE H H 1 7.666 0.002 . 1 . . . . A 60 ILE H . 30598 1 652 . 1 . 1 60 60 ILE HA H 1 4.936 0.007 . 1 . . . . A 60 ILE HA . 30598 1 653 . 1 . 1 60 60 ILE HB H 1 1.736 0.006 . 1 . . . . A 60 ILE HB . 30598 1 654 . 1 . 1 60 60 ILE HG12 H 1 0.809 0.001 . 1 . . . . A 60 ILE HG12 . 30598 1 655 . 1 . 1 60 60 ILE HG13 H 1 1.135 0.000 . 1 . . . . A 60 ILE HG13 . 30598 1 656 . 1 . 1 60 60 ILE HG21 H 1 0.510 0.000 . 1 . . . . A 60 ILE HG21 . 30598 1 657 . 1 . 1 60 60 ILE HG22 H 1 0.510 0.000 . 1 . . . . A 60 ILE HG22 . 30598 1 658 . 1 . 1 60 60 ILE HG23 H 1 0.510 0.000 . 1 . . . . A 60 ILE HG23 . 30598 1 659 . 1 . 1 60 60 ILE HD11 H 1 0.653 0.001 . 1 . . . . A 60 ILE HD11 . 30598 1 660 . 1 . 1 60 60 ILE HD12 H 1 0.653 0.001 . 1 . . . . A 60 ILE HD12 . 30598 1 661 . 1 . 1 60 60 ILE HD13 H 1 0.653 0.001 . 1 . . . . A 60 ILE HD13 . 30598 1 662 . 1 . 1 60 60 ILE C C 13 178.739 0.000 . 1 . . . . A 60 ILE C . 30598 1 663 . 1 . 1 60 60 ILE CA C 13 58.504 0.019 . 1 . . . . A 60 ILE CA . 30598 1 664 . 1 . 1 60 60 ILE CB C 13 42.535 0.022 . 1 . . . . A 60 ILE CB . 30598 1 665 . 1 . 1 60 60 ILE CG1 C 13 24.799 0.030 . 1 . . . . A 60 ILE CG1 . 30598 1 666 . 1 . 1 60 60 ILE CG2 C 13 20.091 0.002 . 1 . . . . A 60 ILE CG2 . 30598 1 667 . 1 . 1 60 60 ILE CD1 C 13 14.112 0.045 . 1 . . . . A 60 ILE CD1 . 30598 1 668 . 1 . 1 60 60 ILE N N 15 111.822 0.005 . 1 . . . . A 60 ILE N . 30598 1 669 . 1 . 1 61 61 LYS H H 1 8.306 0.001 . 1 . . . . A 61 LYS H . 30598 1 670 . 1 . 1 61 61 LYS HA H 1 4.277 0.006 . 1 . . . . A 61 LYS HA . 30598 1 671 . 1 . 1 61 61 LYS HB2 H 1 2.024 0.013 . 2 . . . . A 61 LYS HB2 . 30598 1 672 . 1 . 1 61 61 LYS HB3 H 1 1.152 0.005 . 2 . . . . A 61 LYS HB3 . 30598 1 673 . 1 . 1 61 61 LYS HG2 H 1 1.231 0.000 . 2 . . . . A 61 LYS HG2 . 30598 1 674 . 1 . 1 61 61 LYS HG3 H 1 1.140 0.000 . 2 . . . . A 61 LYS HG3 . 30598 1 675 . 1 . 1 61 61 LYS HD2 H 1 1.720 0.002 . 2 . . . . A 61 LYS HD2 . 30598 1 676 . 1 . 1 61 61 LYS HD3 H 1 1.085 0.002 . 2 . . . . A 61 LYS HD3 . 30598 1 677 . 1 . 1 61 61 LYS HE2 H 1 3.275 0.002 . 2 . . . . A 61 LYS HE2 . 30598 1 678 . 1 . 1 61 61 LYS HE3 H 1 3.074 0.001 . 2 . . . . A 61 LYS HE3 . 30598 1 679 . 1 . 1 61 61 LYS C C 13 178.528 0.000 . 1 . . . . A 61 LYS C . 30598 1 680 . 1 . 1 61 61 LYS CA C 13 55.159 0.036 . 1 . . . . A 61 LYS CA . 30598 1 681 . 1 . 1 61 61 LYS CB C 13 32.892 0.020 . 1 . . . . A 61 LYS CB . 30598 1 682 . 1 . 1 61 61 LYS CG C 13 23.903 0.020 . 1 . . . . A 61 LYS CG . 30598 1 683 . 1 . 1 61 61 LYS CD C 13 28.049 0.017 . 1 . . . . A 61 LYS CD . 30598 1 684 . 1 . 1 61 61 LYS CE C 13 42.872 0.028 . 1 . . . . A 61 LYS CE . 30598 1 685 . 1 . 1 61 61 LYS N N 15 121.900 0.008 . 1 . . . . A 61 LYS N . 30598 1 686 . 1 . 1 62 62 VAL H H 1 9.112 0.001 . 1 . . . . A 62 VAL H . 30598 1 687 . 1 . 1 62 62 VAL HA H 1 4.881 0.000 . 1 . . . . A 62 VAL HA . 30598 1 688 . 1 . 1 62 62 VAL HB H 1 2.401 0.000 . 1 . . . . A 62 VAL HB . 30598 1 689 . 1 . 1 62 62 VAL HG11 H 1 0.792 0.000 . 2 . . . . A 62 VAL HG11 . 30598 1 690 . 1 . 1 62 62 VAL HG12 H 1 0.792 0.000 . 2 . . . . A 62 VAL HG12 . 30598 1 691 . 1 . 1 62 62 VAL HG13 H 1 0.792 0.000 . 2 . . . . A 62 VAL HG13 . 30598 1 692 . 1 . 1 62 62 VAL HG21 H 1 0.930 0.000 . 2 . . . . A 62 VAL HG21 . 30598 1 693 . 1 . 1 62 62 VAL HG22 H 1 0.930 0.000 . 2 . . . . A 62 VAL HG22 . 30598 1 694 . 1 . 1 62 62 VAL HG23 H 1 0.930 0.000 . 2 . . . . A 62 VAL HG23 . 30598 1 695 . 1 . 1 62 62 VAL CA C 13 58.721 0.000 . 1 . . . . A 62 VAL CA . 30598 1 696 . 1 . 1 62 62 VAL CB C 13 31.613 0.000 . 1 . . . . A 62 VAL CB . 30598 1 697 . 1 . 1 62 62 VAL CG1 C 13 17.334 0.003 . 1 . . . . A 62 VAL CG1 . 30598 1 698 . 1 . 1 62 62 VAL CG2 C 13 21.419 0.001 . 1 . . . . A 62 VAL CG2 . 30598 1 699 . 1 . 1 62 62 VAL N N 15 125.291 0.004 . 1 . . . . A 62 VAL N . 30598 1 700 . 1 . 1 63 63 PRO HA H 1 4.361 0.002 . 1 . . . . A 63 PRO HA . 30598 1 701 . 1 . 1 63 63 PRO HB2 H 1 2.309 0.006 . 2 . . . . A 63 PRO HB2 . 30598 1 702 . 1 . 1 63 63 PRO HB3 H 1 1.821 0.007 . 2 . . . . A 63 PRO HB3 . 30598 1 703 . 1 . 1 63 63 PRO HG2 H 1 2.174 0.000 . 2 . . . . A 63 PRO HG2 . 30598 1 704 . 1 . 1 63 63 PRO HG3 H 1 1.997 0.000 . 2 . . . . A 63 PRO HG3 . 30598 1 705 . 1 . 1 63 63 PRO HD2 H 1 3.865 0.000 . 2 . . . . A 63 PRO HD2 . 30598 1 706 . 1 . 1 63 63 PRO HD3 H 1 3.647 0.001 . 2 . . . . A 63 PRO HD3 . 30598 1 707 . 1 . 1 63 63 PRO C C 13 179.653 0.000 . 1 . . . . A 63 PRO C . 30598 1 708 . 1 . 1 63 63 PRO CA C 13 64.814 0.030 . 1 . . . . A 63 PRO CA . 30598 1 709 . 1 . 1 63 63 PRO CB C 13 31.471 0.040 . 1 . . . . A 63 PRO CB . 30598 1 710 . 1 . 1 63 63 PRO CG C 13 28.247 0.010 . 1 . . . . A 63 PRO CG . 30598 1 711 . 1 . 1 63 63 PRO CD C 13 50.640 0.010 . 1 . . . . A 63 PRO CD . 30598 1 712 . 1 . 1 64 64 GLY H H 1 8.364 0.001 . 1 . . . . A 64 GLY H . 30598 1 713 . 1 . 1 64 64 GLY HA2 H 1 4.562 0.010 . 2 . . . . A 64 GLY HA2 . 30598 1 714 . 1 . 1 64 64 GLY HA3 H 1 3.751 0.001 . 2 . . . . A 64 GLY HA3 . 30598 1 715 . 1 . 1 64 64 GLY C C 13 176.549 0.000 . 1 . . . . A 64 GLY C . 30598 1 716 . 1 . 1 64 64 GLY CA C 13 43.410 0.046 . 1 . . . . A 64 GLY CA . 30598 1 717 . 1 . 1 64 64 GLY N N 15 111.914 0.001 . 1 . . . . A 64 GLY N . 30598 1 718 . 1 . 1 65 65 LYS H H 1 8.427 0.002 . 1 . . . . A 65 LYS H . 30598 1 719 . 1 . 1 65 65 LYS HA H 1 4.319 0.012 . 1 . . . . A 65 LYS HA . 30598 1 720 . 1 . 1 65 65 LYS HB2 H 1 1.775 0.000 . 1 . . . . A 65 LYS HB2 . 30598 1 721 . 1 . 1 65 65 LYS HB3 H 1 1.738 0.009 . 1 . . . . A 65 LYS HB3 . 30598 1 722 . 1 . 1 65 65 LYS HG2 H 1 1.462 0.001 . 2 . . . . A 65 LYS HG2 . 30598 1 723 . 1 . 1 65 65 LYS HG3 H 1 1.415 0.001 . 2 . . . . A 65 LYS HG3 . 30598 1 724 . 1 . 1 65 65 LYS C C 13 180.266 0.000 . 1 . . . . A 65 LYS C . 30598 1 725 . 1 . 1 65 65 LYS CA C 13 56.952 0.002 . 1 . . . . A 65 LYS CA . 30598 1 726 . 1 . 1 65 65 LYS CB C 13 33.757 0.021 . 1 . . . . A 65 LYS CB . 30598 1 727 . 1 . 1 65 65 LYS CG C 13 24.876 0.056 . 1 . . . . A 65 LYS CG . 30598 1 728 . 1 . 1 65 65 LYS N N 15 119.081 0.004 . 1 . . . . A 65 LYS N . 30598 1 729 . 1 . 1 66 66 CYS H H 1 8.482 0.002 . 1 . . . . A 66 CYS H . 30598 1 730 . 1 . 1 66 66 CYS HA H 1 5.198 0.006 . 1 . . . . A 66 CYS HA . 30598 1 731 . 1 . 1 66 66 CYS HB2 H 1 3.731 0.003 . 2 . . . . A 66 CYS HB2 . 30598 1 732 . 1 . 1 66 66 CYS HB3 H 1 2.606 0.002 . 2 . . . . A 66 CYS HB3 . 30598 1 733 . 1 . 1 66 66 CYS C C 13 177.263 0.000 . 1 . . . . A 66 CYS C . 30598 1 734 . 1 . 1 66 66 CYS CA C 13 55.217 0.006 . 1 . . . . A 66 CYS CA . 30598 1 735 . 1 . 1 66 66 CYS CB C 13 39.321 0.072 . 1 . . . . A 66 CYS CB . 30598 1 736 . 1 . 1 66 66 CYS N N 15 123.545 0.011 . 1 . . . . A 66 CYS N . 30598 1 737 . 1 . 1 67 67 HIS H H 1 8.894 0.001 . 1 . . . . A 67 HIS H . 30598 1 738 . 1 . 1 67 67 HIS HA H 1 4.668 0.002 . 1 . . . . A 67 HIS HA . 30598 1 739 . 1 . 1 67 67 HIS HB2 H 1 3.293 0.001 . 2 . . . . A 67 HIS HB2 . 30598 1 740 . 1 . 1 67 67 HIS HB3 H 1 3.007 0.001 . 2 . . . . A 67 HIS HB3 . 30598 1 741 . 1 . 1 67 67 HIS HD2 H 1 7.172 0.001 . 1 . . . . A 67 HIS HD2 . 30598 1 742 . 1 . 1 67 67 HIS HE1 H 1 8.259 0.000 . 1 . . . . A 67 HIS HE1 . 30598 1 743 . 1 . 1 67 67 HIS CA C 13 56.290 0.001 . 1 . . . . A 67 HIS CA . 30598 1 744 . 1 . 1 67 67 HIS CB C 13 30.556 0.022 . 1 . . . . A 67 HIS CB . 30598 1 745 . 1 . 1 67 67 HIS CD2 C 13 120.937 0.016 . 1 . . . . A 67 HIS CD2 . 30598 1 746 . 1 . 1 67 67 HIS CE1 C 13 136.243 0.011 . 1 . . . . A 67 HIS CE1 . 30598 1 747 . 1 . 1 67 67 HIS N N 15 132.342 0.007 . 1 . . . . A 67 HIS N . 30598 1 stop_ save_