################################### # 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 30352 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30352 1 2 '3D HNCO' . . . 30352 1 3 '3D HNCACB' . . . 30352 1 4 '3D CBCA(CO)NH' . . . 30352 1 5 '3D HBHA(CO)NH' . . . 30352 1 6 '3D 1H-15N NOESY' . . . 30352 1 7 '3D 1H-13C NOESY aromatic' . . . 30352 1 8 '3D 1H-13C NOESY aliphatic' . . . 30352 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 SER HA H 1 4.160 0.000 . 1 . . . . A 1 SER HA . 30352 1 2 . 1 . 1 1 1 SER HB2 H 1 3.895 0.000 . 2 . . . . A 1 SER HB2 . 30352 1 3 . 1 . 1 1 1 SER HB3 H 1 3.895 0.000 . 2 . . . . A 1 SER HB3 . 30352 1 4 . 1 . 1 1 1 SER C C 13 170.660 0.000 . 1 . . . . A 1 SER C . 30352 1 5 . 1 . 1 1 1 SER CA C 13 57.236 0.000 . 1 . . . . A 1 SER CA . 30352 1 6 . 1 . 1 1 1 SER CB C 13 63.331 0.000 . 1 . . . . A 1 SER CB . 30352 1 7 . 1 . 1 2 2 ASN H H 1 8.868 0.003 . 1 . . . . A 2 ASN H . 30352 1 8 . 1 . 1 2 2 ASN HA H 1 4.764 0.000 . 1 . . . . A 2 ASN HA . 30352 1 9 . 1 . 1 2 2 ASN HB2 H 1 2.879 0.001 . 2 . . . . A 2 ASN HB2 . 30352 1 10 . 1 . 1 2 2 ASN HB3 H 1 2.828 0.003 . 2 . . . . A 2 ASN HB3 . 30352 1 11 . 1 . 1 2 2 ASN HD21 H 1 7.020 0.000 . 2 . . . . A 2 ASN HD21 . 30352 1 12 . 1 . 1 2 2 ASN HD22 H 1 7.585 0.000 . 2 . . . . A 2 ASN HD22 . 30352 1 13 . 1 . 1 2 2 ASN C C 13 176.137 0.000 . 1 . . . . A 2 ASN C . 30352 1 14 . 1 . 1 2 2 ASN CA C 13 52.922 0.000 . 1 . . . . A 2 ASN CA . 30352 1 15 . 1 . 1 2 2 ASN CB C 13 39.273 0.004 . 1 . . . . A 2 ASN CB . 30352 1 16 . 1 . 1 2 2 ASN N N 15 120.324 0.074 . 1 . . . . A 2 ASN N . 30352 1 17 . 1 . 1 2 2 ASN ND2 N 15 112.916 0.004 . 1 . . . . A 2 ASN ND2 . 30352 1 18 . 1 . 1 3 3 ARG H H 1 8.444 0.003 . 1 . . . . A 3 ARG H . 30352 1 19 . 1 . 1 3 3 ARG HA H 1 3.792 0.000 . 1 . . . . A 3 ARG HA . 30352 1 20 . 1 . 1 3 3 ARG HB2 H 1 1.389 0.000 . 2 . . . . A 3 ARG HB2 . 30352 1 21 . 1 . 1 3 3 ARG HB3 H 1 1.460 0.000 . 2 . . . . A 3 ARG HB3 . 30352 1 22 . 1 . 1 3 3 ARG C C 13 176.997 0.000 . 1 . . . . A 3 ARG C . 30352 1 23 . 1 . 1 3 3 ARG CA C 13 58.600 0.000 . 1 . . . . A 3 ARG CA . 30352 1 24 . 1 . 1 3 3 ARG CB C 13 29.270 0.004 . 1 . . . . A 3 ARG CB . 30352 1 25 . 1 . 1 3 3 ARG N N 15 118.870 0.009 . 1 . . . . A 3 ARG N . 30352 1 26 . 1 . 1 4 4 TRP H H 1 8.015 0.001 . 1 . . . . A 4 TRP H . 30352 1 27 . 1 . 1 4 4 TRP HA H 1 4.350 0.000 . 1 . . . . A 4 TRP HA . 30352 1 28 . 1 . 1 4 4 TRP HB2 H 1 3.384 0.000 . 2 . . . . A 4 TRP HB2 . 30352 1 29 . 1 . 1 4 4 TRP HB3 H 1 3.252 0.000 . 2 . . . . A 4 TRP HB3 . 30352 1 30 . 1 . 1 4 4 TRP HD1 H 1 7.245 0.001 . 1 . . . . A 4 TRP HD1 . 30352 1 31 . 1 . 1 4 4 TRP HE1 H 1 10.162 0.000 . 1 . . . . A 4 TRP HE1 . 30352 1 32 . 1 . 1 4 4 TRP HE3 H 1 7.640 0.001 . 1 . . . . A 4 TRP HE3 . 30352 1 33 . 1 . 1 4 4 TRP HZ2 H 1 7.450 0.001 . 1 . . . . A 4 TRP HZ2 . 30352 1 34 . 1 . 1 4 4 TRP HZ3 H 1 7.083 0.001 . 1 . . . . A 4 TRP HZ3 . 30352 1 35 . 1 . 1 4 4 TRP HH2 H 1 7.215 0.001 . 1 . . . . A 4 TRP HH2 . 30352 1 36 . 1 . 1 4 4 TRP C C 13 179.170 0.000 . 1 . . . . A 4 TRP C . 30352 1 37 . 1 . 1 4 4 TRP CA C 13 60.088 0.000 . 1 . . . . A 4 TRP CA . 30352 1 38 . 1 . 1 4 4 TRP CB C 13 28.247 0.001 . 1 . . . . A 4 TRP CB . 30352 1 39 . 1 . 1 4 4 TRP CD1 C 13 127.540 0.019 . 1 . . . . A 4 TRP CD1 . 30352 1 40 . 1 . 1 4 4 TRP CE3 C 13 120.748 0.010 . 1 . . . . A 4 TRP CE3 . 30352 1 41 . 1 . 1 4 4 TRP CZ2 C 13 114.833 0.007 . 1 . . . . A 4 TRP CZ2 . 30352 1 42 . 1 . 1 4 4 TRP CZ3 C 13 122.318 0.082 . 1 . . . . A 4 TRP CZ3 . 30352 1 43 . 1 . 1 4 4 TRP CH2 C 13 125.022 0.001 . 1 . . . . A 4 TRP CH2 . 30352 1 44 . 1 . 1 4 4 TRP N N 15 122.139 0.029 . 1 . . . . A 4 TRP N . 30352 1 45 . 1 . 1 4 4 TRP NE1 N 15 129.405 0.000 . 1 . . . . A 4 TRP NE1 . 30352 1 46 . 1 . 1 5 5 ASN H H 1 8.142 0.002 . 1 . . . . A 5 ASN H . 30352 1 47 . 1 . 1 5 5 ASN HA H 1 4.649 0.000 . 1 . . . . A 5 ASN HA . 30352 1 48 . 1 . 1 5 5 ASN HB2 H 1 2.935 0.000 . 2 . . . . A 5 ASN HB2 . 30352 1 49 . 1 . 1 5 5 ASN HB3 H 1 2.787 0.000 . 2 . . . . A 5 ASN HB3 . 30352 1 50 . 1 . 1 5 5 ASN HD21 H 1 6.972 0.000 . 2 . . . . A 5 ASN HD21 . 30352 1 51 . 1 . 1 5 5 ASN HD22 H 1 7.683 0.000 . 2 . . . . A 5 ASN HD22 . 30352 1 52 . 1 . 1 5 5 ASN C C 13 175.412 0.000 . 1 . . . . A 5 ASN C . 30352 1 53 . 1 . 1 5 5 ASN CA C 13 54.982 0.000 . 1 . . . . A 5 ASN CA . 30352 1 54 . 1 . 1 5 5 ASN CB C 13 38.428 0.001 . 1 . . . . A 5 ASN CB . 30352 1 55 . 1 . 1 5 5 ASN N N 15 119.554 0.010 . 1 . . . . A 5 ASN N . 30352 1 56 . 1 . 1 5 5 ASN ND2 N 15 111.574 0.007 . 1 . . . . A 5 ASN ND2 . 30352 1 57 . 1 . 1 6 6 LEU H H 1 7.315 0.004 . 1 . . . . A 6 LEU H . 30352 1 58 . 1 . 1 6 6 LEU HA H 1 4.388 0.000 . 1 . . . . A 6 LEU HA . 30352 1 59 . 1 . 1 6 6 LEU HB2 H 1 2.071 0.000 . 2 . . . . A 6 LEU HB2 . 30352 1 60 . 1 . 1 6 6 LEU HB3 H 1 1.468 0.004 . 2 . . . . A 6 LEU HB3 . 30352 1 61 . 1 . 1 6 6 LEU HG H 1 0.794 0.000 . 1 . . . . A 6 LEU HG . 30352 1 62 . 1 . 1 6 6 LEU HD11 H 1 0.706 0.000 . 2 . . . . A 6 LEU HD11 . 30352 1 63 . 1 . 1 6 6 LEU HD12 H 1 0.706 0.000 . 2 . . . . A 6 LEU HD12 . 30352 1 64 . 1 . 1 6 6 LEU HD13 H 1 0.706 0.000 . 2 . . . . A 6 LEU HD13 . 30352 1 65 . 1 . 1 6 6 LEU C C 13 176.011 0.000 . 1 . . . . A 6 LEU C . 30352 1 66 . 1 . 1 6 6 LEU CA C 13 54.795 0.000 . 1 . . . . A 6 LEU CA . 30352 1 67 . 1 . 1 6 6 LEU CB C 13 42.019 0.005 . 1 . . . . A 6 LEU CB . 30352 1 68 . 1 . 1 6 6 LEU CG C 13 26.662 0.001 . 1 . . . . A 6 LEU CG . 30352 1 69 . 1 . 1 6 6 LEU CD1 C 13 22.950 0.001 . 1 . . . . A 6 LEU CD1 . 30352 1 70 . 1 . 1 6 6 LEU N N 15 118.238 0.002 . 1 . . . . A 6 LEU N . 30352 1 71 . 1 . 1 7 7 GLY H H 1 7.593 0.002 . 1 . . . . A 7 GLY H . 30352 1 72 . 1 . 1 7 7 GLY HA2 H 1 4.699 0.000 . 2 . . . . A 7 GLY HA2 . 30352 1 73 . 1 . 1 7 7 GLY HA3 H 1 3.670 0.000 . 2 . . . . A 7 GLY HA3 . 30352 1 74 . 1 . 1 7 7 GLY C C 13 175.513 0.000 . 1 . . . . A 7 GLY C . 30352 1 75 . 1 . 1 7 7 GLY CA C 13 46.281 0.000 . 1 . . . . A 7 GLY CA . 30352 1 76 . 1 . 1 7 7 GLY N N 15 105.064 0.000 . 1 . . . . A 7 GLY N . 30352 1 77 . 1 . 1 8 8 TYR H H 1 7.680 0.001 . 1 . . . . A 8 TYR H . 30352 1 78 . 1 . 1 8 8 TYR HA H 1 3.337 0.003 . 1 . . . . A 8 TYR HA . 30352 1 79 . 1 . 1 8 8 TYR HB2 H 1 2.512 0.000 . 2 . . . . A 8 TYR HB2 . 30352 1 80 . 1 . 1 8 8 TYR HB3 H 1 2.512 0.000 . 2 . . . . A 8 TYR HB3 . 30352 1 81 . 1 . 1 8 8 TYR HD1 H 1 6.323 0.000 . 1 . . . . A 8 TYR HD1 . 30352 1 82 . 1 . 1 8 8 TYR HD2 H 1 6.323 0.000 . 1 . . . . A 8 TYR HD2 . 30352 1 83 . 1 . 1 8 8 TYR HE1 H 1 6.585 0.002 . 1 . . . . A 8 TYR HE1 . 30352 1 84 . 1 . 1 8 8 TYR HE2 H 1 6.585 0.002 . 1 . . . . A 8 TYR HE2 . 30352 1 85 . 1 . 1 8 8 TYR C C 13 175.220 0.000 . 1 . . . . A 8 TYR C . 30352 1 86 . 1 . 1 8 8 TYR CA C 13 61.930 0.001 . 1 . . . . A 8 TYR CA . 30352 1 87 . 1 . 1 8 8 TYR CB C 13 39.607 0.000 . 1 . . . . A 8 TYR CB . 30352 1 88 . 1 . 1 8 8 TYR CD2 C 13 132.466 0.000 . 1 . . . . A 8 TYR CD2 . 30352 1 89 . 1 . 1 8 8 TYR CE2 C 13 118.290 0.000 . 1 . . . . A 8 TYR CE2 . 30352 1 90 . 1 . 1 8 8 TYR N N 15 118.102 0.005 . 1 . . . . A 8 TYR N . 30352 1 91 . 1 . 1 9 9 GLY H H 1 8.774 0.002 . 1 . . . . A 9 GLY H . 30352 1 92 . 1 . 1 9 9 GLY HA2 H 1 3.825 0.000 . 2 . . . . A 9 GLY HA2 . 30352 1 93 . 1 . 1 9 9 GLY HA3 H 1 3.588 0.000 . 2 . . . . A 9 GLY HA3 . 30352 1 94 . 1 . 1 9 9 GLY C C 13 174.536 0.000 . 1 . . . . A 9 GLY C . 30352 1 95 . 1 . 1 9 9 GLY CA C 13 44.922 0.000 . 1 . . . . A 9 GLY CA . 30352 1 96 . 1 . 1 9 9 GLY N N 15 102.441 0.001 . 1 . . . . A 9 GLY N . 30352 1 97 . 1 . 1 10 10 ILE H H 1 7.555 0.002 . 1 . . . . A 10 ILE H . 30352 1 98 . 1 . 1 10 10 ILE HA H 1 3.953 0.019 . 1 . . . . A 10 ILE HA . 30352 1 99 . 1 . 1 10 10 ILE HB H 1 1.602 0.001 . 1 . . . . A 10 ILE HB . 30352 1 100 . 1 . 1 10 10 ILE HG12 H 1 1.153 0.000 . 2 . . . . A 10 ILE HG12 . 30352 1 101 . 1 . 1 10 10 ILE HG13 H 1 0.718 0.000 . 2 . . . . A 10 ILE HG13 . 30352 1 102 . 1 . 1 10 10 ILE HG21 H 1 -0.128 0.000 . 1 . . . . A 10 ILE HG21 . 30352 1 103 . 1 . 1 10 10 ILE HG22 H 1 -0.128 0.000 . 1 . . . . A 10 ILE HG22 . 30352 1 104 . 1 . 1 10 10 ILE HG23 H 1 -0.128 0.000 . 1 . . . . A 10 ILE HG23 . 30352 1 105 . 1 . 1 10 10 ILE HD11 H 1 0.509 0.001 . 1 . . . . A 10 ILE HD11 . 30352 1 106 . 1 . 1 10 10 ILE HD12 H 1 0.509 0.001 . 1 . . . . A 10 ILE HD12 . 30352 1 107 . 1 . 1 10 10 ILE HD13 H 1 0.509 0.001 . 1 . . . . A 10 ILE HD13 . 30352 1 108 . 1 . 1 10 10 ILE CA C 13 58.758 0.000 . 1 . . . . A 10 ILE CA . 30352 1 109 . 1 . 1 10 10 ILE CB C 13 37.278 0.046 . 1 . . . . A 10 ILE CB . 30352 1 110 . 1 . 1 10 10 ILE CG1 C 13 27.837 0.100 . 1 . . . . A 10 ILE CG1 . 30352 1 111 . 1 . 1 10 10 ILE CG2 C 13 15.470 0.000 . 1 . . . . A 10 ILE CG2 . 30352 1 112 . 1 . 1 10 10 ILE CD1 C 13 12.680 0.012 . 1 . . . . A 10 ILE CD1 . 30352 1 113 . 1 . 1 10 10 ILE N N 15 126.328 0.002 . 1 . . . . A 10 ILE N . 30352 1 114 . 1 . 1 11 11 PRO HA H 1 4.089 0.004 . 1 . . . . A 11 PRO HA . 30352 1 115 . 1 . 1 11 11 PRO HB2 H 1 1.764 0.000 . 2 . . . . A 11 PRO HB2 . 30352 1 116 . 1 . 1 11 11 PRO HB3 H 1 2.132 0.000 . 2 . . . . A 11 PRO HB3 . 30352 1 117 . 1 . 1 11 11 PRO HG2 H 1 2.043 0.000 . 2 . . . . A 11 PRO HG2 . 30352 1 118 . 1 . 1 11 11 PRO HG3 H 1 1.852 0.000 . 2 . . . . A 11 PRO HG3 . 30352 1 119 . 1 . 1 11 11 PRO HD2 H 1 3.333 0.001 . 2 . . . . A 11 PRO HD2 . 30352 1 120 . 1 . 1 11 11 PRO HD3 H 1 3.995 0.007 . 2 . . . . A 11 PRO HD3 . 30352 1 121 . 1 . 1 11 11 PRO C C 13 176.109 0.000 . 1 . . . . A 11 PRO C . 30352 1 122 . 1 . 1 11 11 PRO CA C 13 64.428 0.000 . 1 . . . . A 11 PRO CA . 30352 1 123 . 1 . 1 11 11 PRO CB C 13 31.925 0.024 . 1 . . . . A 11 PRO CB . 30352 1 124 . 1 . 1 11 11 PRO CG C 13 27.620 0.000 . 1 . . . . A 11 PRO CG . 30352 1 125 . 1 . 1 11 11 PRO CD C 13 51.442 0.056 . 1 . . . . A 11 PRO CD . 30352 1 126 . 1 . 1 12 12 HIS H H 1 8.210 0.003 . 1 . . . . A 12 HIS H . 30352 1 127 . 1 . 1 12 12 HIS HA H 1 4.716 0.000 . 1 . . . . A 12 HIS HA . 30352 1 128 . 1 . 1 12 12 HIS HB2 H 1 2.646 0.000 . 2 . . . . A 12 HIS HB2 . 30352 1 129 . 1 . 1 12 12 HIS HB3 H 1 2.724 0.000 . 2 . . . . A 12 HIS HB3 . 30352 1 130 . 1 . 1 12 12 HIS HD2 H 1 6.318 0.000 . 1 . . . . A 12 HIS HD2 . 30352 1 131 . 1 . 1 12 12 HIS HE1 H 1 8.194 0.000 . 1 . . . . A 12 HIS HE1 . 30352 1 132 . 1 . 1 12 12 HIS CA C 13 54.779 0.000 . 1 . . . . A 12 HIS CA . 30352 1 133 . 1 . 1 12 12 HIS CB C 13 30.542 0.000 . 1 . . . . A 12 HIS CB . 30352 1 134 . 1 . 1 12 12 HIS CD2 C 13 119.012 0.000 . 1 . . . . A 12 HIS CD2 . 30352 1 135 . 1 . 1 12 12 HIS CE1 C 13 136.673 0.000 . 1 . . . . A 12 HIS CE1 . 30352 1 136 . 1 . 1 12 12 HIS N N 15 120.049 0.005 . 1 . . . . A 12 HIS N . 30352 1 137 . 1 . 1 13 13 LYS H H 1 8.347 0.003 . 1 . . . . A 13 LYS H . 30352 1 138 . 1 . 1 13 13 LYS HA H 1 4.294 0.001 . 1 . . . . A 13 LYS HA . 30352 1 139 . 1 . 1 13 13 LYS HB2 H 1 1.576 0.000 . 2 . . . . A 13 LYS HB2 . 30352 1 140 . 1 . 1 13 13 LYS HB3 H 1 1.576 0.000 . 2 . . . . A 13 LYS HB3 . 30352 1 141 . 1 . 1 13 13 LYS C C 13 175.764 0.000 . 1 . . . . A 13 LYS C . 30352 1 142 . 1 . 1 13 13 LYS CA C 13 55.019 0.000 . 1 . . . . A 13 LYS CA . 30352 1 143 . 1 . 1 13 13 LYS CB C 13 34.380 0.000 . 1 . . . . A 13 LYS CB . 30352 1 144 . 1 . 1 13 13 LYS N N 15 120.944 0.003 . 1 . . . . A 13 LYS N . 30352 1 145 . 1 . 1 14 14 GLN H H 1 8.708 0.003 . 1 . . . . A 14 GLN H . 30352 1 146 . 1 . 1 14 14 GLN HA H 1 4.469 0.000 . 1 . . . . A 14 GLN HA . 30352 1 147 . 1 . 1 14 14 GLN HB2 H 1 2.006 0.000 . 2 . . . . A 14 GLN HB2 . 30352 1 148 . 1 . 1 14 14 GLN HB3 H 1 1.794 0.000 . 2 . . . . A 14 GLN HB3 . 30352 1 149 . 1 . 1 14 14 GLN HG2 H 1 2.121 0.000 . 2 . . . . A 14 GLN HG2 . 30352 1 150 . 1 . 1 14 14 GLN HG3 H 1 2.338 0.000 . 2 . . . . A 14 GLN HG3 . 30352 1 151 . 1 . 1 14 14 GLN HE21 H 1 6.853 0.007 . 2 . . . . A 14 GLN HE21 . 30352 1 152 . 1 . 1 14 14 GLN HE22 H 1 7.857 0.000 . 2 . . . . A 14 GLN HE22 . 30352 1 153 . 1 . 1 14 14 GLN C C 13 174.396 0.000 . 1 . . . . A 14 GLN C . 30352 1 154 . 1 . 1 14 14 GLN CA C 13 56.197 0.000 . 1 . . . . A 14 GLN CA . 30352 1 155 . 1 . 1 14 14 GLN CB C 13 28.996 0.006 . 1 . . . . A 14 GLN CB . 30352 1 156 . 1 . 1 14 14 GLN CG C 13 34.764 0.013 . 1 . . . . A 14 GLN CG . 30352 1 157 . 1 . 1 14 14 GLN N N 15 124.765 0.001 . 1 . . . . A 14 GLN N . 30352 1 158 . 1 . 1 14 14 GLN NE2 N 15 113.212 0.004 . 1 . . . . A 14 GLN NE2 . 30352 1 159 . 1 . 1 15 15 VAL H H 1 7.266 0.005 . 1 . . . . A 15 VAL H . 30352 1 160 . 1 . 1 15 15 VAL HA H 1 4.458 0.003 . 1 . . . . A 15 VAL HA . 30352 1 161 . 1 . 1 15 15 VAL HB H 1 2.076 0.000 . 1 . . . . A 15 VAL HB . 30352 1 162 . 1 . 1 15 15 VAL HG11 H 1 0.764 0.000 . 2 . . . . A 15 VAL HG11 . 30352 1 163 . 1 . 1 15 15 VAL HG12 H 1 0.764 0.000 . 2 . . . . A 15 VAL HG12 . 30352 1 164 . 1 . 1 15 15 VAL HG13 H 1 0.764 0.000 . 2 . . . . A 15 VAL HG13 . 30352 1 165 . 1 . 1 15 15 VAL HG21 H 1 0.684 0.000 . 2 . . . . A 15 VAL HG21 . 30352 1 166 . 1 . 1 15 15 VAL HG22 H 1 0.684 0.000 . 2 . . . . A 15 VAL HG22 . 30352 1 167 . 1 . 1 15 15 VAL HG23 H 1 0.684 0.000 . 2 . . . . A 15 VAL HG23 . 30352 1 168 . 1 . 1 15 15 VAL C C 13 174.500 0.000 . 1 . . . . A 15 VAL C . 30352 1 169 . 1 . 1 15 15 VAL CA C 13 59.072 0.000 . 1 . . . . A 15 VAL CA . 30352 1 170 . 1 . 1 15 15 VAL CB C 13 35.372 0.007 . 1 . . . . A 15 VAL CB . 30352 1 171 . 1 . 1 15 15 VAL CG1 C 13 21.583 0.000 . 1 . . . . A 15 VAL CG1 . 30352 1 172 . 1 . 1 15 15 VAL CG2 C 13 18.658 0.000 . 1 . . . . A 15 VAL CG2 . 30352 1 173 . 1 . 1 15 15 VAL N N 15 120.884 0.008 . 1 . . . . A 15 VAL N . 30352 1 174 . 1 . 1 16 16 LYS H H 1 8.352 0.005 . 1 . . . . A 16 LYS H . 30352 1 175 . 1 . 1 16 16 LYS HA H 1 4.307 0.006 . 1 . . . . A 16 LYS HA . 30352 1 176 . 1 . 1 16 16 LYS HB2 H 1 1.563 0.000 . 2 . . . . A 16 LYS HB2 . 30352 1 177 . 1 . 1 16 16 LYS HB3 H 1 1.563 0.000 . 2 . . . . A 16 LYS HB3 . 30352 1 178 . 1 . 1 16 16 LYS HG2 H 1 1.299 0.000 . 2 . . . . A 16 LYS HG2 . 30352 1 179 . 1 . 1 16 16 LYS HG3 H 1 1.185 0.000 . 2 . . . . A 16 LYS HG3 . 30352 1 180 . 1 . 1 16 16 LYS HD2 H 1 1.466 0.000 . 2 . . . . A 16 LYS HD2 . 30352 1 181 . 1 . 1 16 16 LYS HE2 H 1 2.854 0.000 . 2 . . . . A 16 LYS HE2 . 30352 1 182 . 1 . 1 16 16 LYS HE3 H 1 2.854 0.000 . 2 . . . . A 16 LYS HE3 . 30352 1 183 . 1 . 1 16 16 LYS C C 13 177.067 0.000 . 1 . . . . A 16 LYS C . 30352 1 184 . 1 . 1 16 16 LYS CA C 13 56.911 0.000 . 1 . . . . A 16 LYS CA . 30352 1 185 . 1 . 1 16 16 LYS CB C 13 33.418 0.031 . 1 . . . . A 16 LYS CB . 30352 1 186 . 1 . 1 16 16 LYS CG C 13 25.628 0.007 . 1 . . . . A 16 LYS CG . 30352 1 187 . 1 . 1 16 16 LYS CD C 13 29.099 0.000 . 1 . . . . A 16 LYS CD . 30352 1 188 . 1 . 1 16 16 LYS CE C 13 41.995 0.000 . 1 . . . . A 16 LYS CE . 30352 1 189 . 1 . 1 16 16 LYS N N 15 121.200 0.055 . 1 . . . . A 16 LYS N . 30352 1 190 . 1 . 1 17 17 LEU H H 1 9.040 0.001 . 1 . . . . A 17 LEU H . 30352 1 191 . 1 . 1 17 17 LEU HA H 1 4.424 0.000 . 1 . . . . A 17 LEU HA . 30352 1 192 . 1 . 1 17 17 LEU HB2 H 1 1.968 0.009 . 2 . . . . A 17 LEU HB2 . 30352 1 193 . 1 . 1 17 17 LEU HB3 H 1 1.427 0.000 . 2 . . . . A 17 LEU HB3 . 30352 1 194 . 1 . 1 17 17 LEU HG H 1 1.533 0.000 . 1 . . . . A 17 LEU HG . 30352 1 195 . 1 . 1 17 17 LEU HD11 H 1 0.824 0.000 . 2 . . . . A 17 LEU HD11 . 30352 1 196 . 1 . 1 17 17 LEU HD12 H 1 0.824 0.000 . 2 . . . . A 17 LEU HD12 . 30352 1 197 . 1 . 1 17 17 LEU HD13 H 1 0.824 0.000 . 2 . . . . A 17 LEU HD13 . 30352 1 198 . 1 . 1 17 17 LEU HD21 H 1 0.822 0.000 . 2 . . . . A 17 LEU HD21 . 30352 1 199 . 1 . 1 17 17 LEU HD22 H 1 0.822 0.000 . 2 . . . . A 17 LEU HD22 . 30352 1 200 . 1 . 1 17 17 LEU HD23 H 1 0.822 0.000 . 2 . . . . A 17 LEU HD23 . 30352 1 201 . 1 . 1 17 17 LEU CA C 13 53.577 0.000 . 1 . . . . A 17 LEU CA . 30352 1 202 . 1 . 1 17 17 LEU CB C 13 40.092 0.001 . 1 . . . . A 17 LEU CB . 30352 1 203 . 1 . 1 17 17 LEU CG C 13 27.397 0.001 . 1 . . . . A 17 LEU CG . 30352 1 204 . 1 . 1 17 17 LEU CD1 C 13 25.816 0.000 . 1 . . . . A 17 LEU CD1 . 30352 1 205 . 1 . 1 17 17 LEU CD2 C 13 22.332 0.000 . 1 . . . . A 17 LEU CD2 . 30352 1 206 . 1 . 1 17 17 LEU N N 15 125.304 0.001 . 1 . . . . A 17 LEU N . 30352 1 207 . 1 . 1 18 18 PRO HA H 1 4.218 0.005 . 1 . . . . A 18 PRO HA . 30352 1 208 . 1 . 1 18 18 PRO HB2 H 1 2.305 0.000 . 2 . . . . A 18 PRO HB2 . 30352 1 209 . 1 . 1 18 18 PRO HB3 H 1 1.781 0.000 . 2 . . . . A 18 PRO HB3 . 30352 1 210 . 1 . 1 18 18 PRO HG2 H 1 2.019 0.000 . 2 . . . . A 18 PRO HG2 . 30352 1 211 . 1 . 1 18 18 PRO HG3 H 1 1.899 0.000 . 2 . . . . A 18 PRO HG3 . 30352 1 212 . 1 . 1 18 18 PRO HD2 H 1 3.727 0.000 . 2 . . . . A 18 PRO HD2 . 30352 1 213 . 1 . 1 18 18 PRO HD3 H 1 3.673 0.000 . 2 . . . . A 18 PRO HD3 . 30352 1 214 . 1 . 1 18 18 PRO C C 13 176.658 0.000 . 1 . . . . A 18 PRO C . 30352 1 215 . 1 . 1 18 18 PRO CA C 13 65.499 0.000 . 1 . . . . A 18 PRO CA . 30352 1 216 . 1 . 1 18 18 PRO CB C 13 31.586 0.007 . 1 . . . . A 18 PRO CB . 30352 1 217 . 1 . 1 18 18 PRO CG C 13 27.785 0.000 . 1 . . . . A 18 PRO CG . 30352 1 218 . 1 . 1 18 18 PRO CD C 13 50.595 0.000 . 1 . . . . A 18 PRO CD . 30352 1 219 . 1 . 1 19 19 ASN H H 1 7.286 0.005 . 1 . . . . A 19 ASN H . 30352 1 220 . 1 . 1 19 19 ASN HA H 1 4.446 0.000 . 1 . . . . A 19 ASN HA . 30352 1 221 . 1 . 1 19 19 ASN HB2 H 1 3.127 0.000 . 2 . . . . A 19 ASN HB2 . 30352 1 222 . 1 . 1 19 19 ASN HB3 H 1 2.674 0.000 . 2 . . . . A 19 ASN HB3 . 30352 1 223 . 1 . 1 19 19 ASN HD21 H 1 6.550 0.000 . 2 . . . . A 19 ASN HD21 . 30352 1 224 . 1 . 1 19 19 ASN HD22 H 1 7.188 0.000 . 2 . . . . A 19 ASN HD22 . 30352 1 225 . 1 . 1 19 19 ASN C C 13 176.706 0.000 . 1 . . . . A 19 ASN C . 30352 1 226 . 1 . 1 19 19 ASN CA C 13 52.653 0.000 . 1 . . . . A 19 ASN CA . 30352 1 227 . 1 . 1 19 19 ASN CB C 13 37.144 0.000 . 1 . . . . A 19 ASN CB . 30352 1 228 . 1 . 1 19 19 ASN N N 15 111.696 0.023 . 1 . . . . A 19 ASN N . 30352 1 229 . 1 . 1 19 19 ASN ND2 N 15 107.526 0.002 . 1 . . . . A 19 ASN ND2 . 30352 1 230 . 1 . 1 20 20 GLY H H 1 8.356 0.002 . 1 . . . . A 20 GLY H . 30352 1 231 . 1 . 1 20 20 GLY HA2 H 1 4.251 0.000 . 2 . . . . A 20 GLY HA2 . 30352 1 232 . 1 . 1 20 20 GLY HA3 H 1 3.466 0.003 . 2 . . . . A 20 GLY HA3 . 30352 1 233 . 1 . 1 20 20 GLY C C 13 174.046 0.000 . 1 . . . . A 20 GLY C . 30352 1 234 . 1 . 1 20 20 GLY CA C 13 45.284 0.001 . 1 . . . . A 20 GLY CA . 30352 1 235 . 1 . 1 20 20 GLY N N 15 108.448 0.014 . 1 . . . . A 20 GLY N . 30352 1 236 . 1 . 1 21 21 GLN H H 1 7.760 0.001 . 1 . . . . A 21 GLN H . 30352 1 237 . 1 . 1 21 21 GLN HA H 1 4.294 0.004 . 1 . . . . A 21 GLN HA . 30352 1 238 . 1 . 1 21 21 GLN HB2 H 1 2.032 0.000 . 2 . . . . A 21 GLN HB2 . 30352 1 239 . 1 . 1 21 21 GLN HB3 H 1 1.940 0.001 . 2 . . . . A 21 GLN HB3 . 30352 1 240 . 1 . 1 21 21 GLN HG2 H 1 2.149 0.000 . 2 . . . . A 21 GLN HG2 . 30352 1 241 . 1 . 1 21 21 GLN HG3 H 1 2.149 0.000 . 2 . . . . A 21 GLN HG3 . 30352 1 242 . 1 . 1 21 21 GLN HE21 H 1 6.781 0.000 . 2 . . . . A 21 GLN HE21 . 30352 1 243 . 1 . 1 21 21 GLN HE22 H 1 7.441 0.000 . 2 . . . . A 21 GLN HE22 . 30352 1 244 . 1 . 1 21 21 GLN C C 13 175.341 0.000 . 1 . . . . A 21 GLN C . 30352 1 245 . 1 . 1 21 21 GLN CA C 13 54.393 0.009 . 1 . . . . A 21 GLN CA . 30352 1 246 . 1 . 1 21 21 GLN CB C 13 29.673 0.015 . 1 . . . . A 21 GLN CB . 30352 1 247 . 1 . 1 21 21 GLN CG C 13 33.778 0.000 . 1 . . . . A 21 GLN CG . 30352 1 248 . 1 . 1 21 21 GLN N N 15 119.352 0.020 . 1 . . . . A 21 GLN N . 30352 1 249 . 1 . 1 21 21 GLN NE2 N 15 112.919 0.001 . 1 . . . . A 21 GLN NE2 . 30352 1 250 . 1 . 1 22 22 LEU H H 1 8.455 0.003 . 1 . . . . A 22 LEU H . 30352 1 251 . 1 . 1 22 22 LEU HA H 1 4.378 0.016 . 1 . . . . A 22 LEU HA . 30352 1 252 . 1 . 1 22 22 LEU HB2 H 1 1.363 0.002 . 2 . . . . A 22 LEU HB2 . 30352 1 253 . 1 . 1 22 22 LEU HB3 H 1 1.600 0.000 . 2 . . . . A 22 LEU HB3 . 30352 1 254 . 1 . 1 22 22 LEU HG H 1 1.649 0.002 . 1 . . . . A 22 LEU HG . 30352 1 255 . 1 . 1 22 22 LEU HD11 H 1 0.761 0.000 . 2 . . . . A 22 LEU HD11 . 30352 1 256 . 1 . 1 22 22 LEU HD12 H 1 0.761 0.000 . 2 . . . . A 22 LEU HD12 . 30352 1 257 . 1 . 1 22 22 LEU HD13 H 1 0.761 0.000 . 2 . . . . A 22 LEU HD13 . 30352 1 258 . 1 . 1 22 22 LEU HD21 H 1 0.617 0.000 . 2 . . . . A 22 LEU HD21 . 30352 1 259 . 1 . 1 22 22 LEU HD22 H 1 0.617 0.000 . 2 . . . . A 22 LEU HD22 . 30352 1 260 . 1 . 1 22 22 LEU HD23 H 1 0.617 0.000 . 2 . . . . A 22 LEU HD23 . 30352 1 261 . 1 . 1 22 22 LEU C C 13 178.201 0.000 . 1 . . . . A 22 LEU C . 30352 1 262 . 1 . 1 22 22 LEU CA C 13 55.100 0.000 . 1 . . . . A 22 LEU CA . 30352 1 263 . 1 . 1 22 22 LEU CB C 13 42.538 0.023 . 1 . . . . A 22 LEU CB . 30352 1 264 . 1 . 1 22 22 LEU CG C 13 26.952 0.037 . 1 . . . . A 22 LEU CG . 30352 1 265 . 1 . 1 22 22 LEU CD1 C 13 24.999 0.000 . 1 . . . . A 22 LEU CD1 . 30352 1 266 . 1 . 1 22 22 LEU CD2 C 13 23.055 0.000 . 1 . . . . A 22 LEU CD2 . 30352 1 267 . 1 . 1 22 22 LEU N N 15 120.745 0.007 . 1 . . . . A 22 LEU N . 30352 1 268 . 1 . 1 23 23 CYS H H 1 8.352 0.002 . 1 . . . . A 23 CYS H . 30352 1 269 . 1 . 1 23 23 CYS HA H 1 4.480 0.000 . 1 . . . . A 23 CYS HA . 30352 1 270 . 1 . 1 23 23 CYS HB2 H 1 3.193 0.000 . 2 . . . . A 23 CYS HB2 . 30352 1 271 . 1 . 1 23 23 CYS HB3 H 1 2.981 0.000 . 2 . . . . A 23 CYS HB3 . 30352 1 272 . 1 . 1 23 23 CYS C C 13 172.428 0.000 . 1 . . . . A 23 CYS C . 30352 1 273 . 1 . 1 23 23 CYS CA C 13 55.105 0.000 . 1 . . . . A 23 CYS CA . 30352 1 274 . 1 . 1 23 23 CYS CB C 13 40.920 0.020 . 1 . . . . A 23 CYS CB . 30352 1 275 . 1 . 1 23 23 CYS N N 15 117.356 0.001 . 1 . . . . A 23 CYS N . 30352 1 276 . 1 . 1 24 24 LYS H H 1 9.030 0.001 . 1 . . . . A 24 LYS H . 30352 1 277 . 1 . 1 24 24 LYS HA H 1 4.366 0.005 . 1 . . . . A 24 LYS HA . 30352 1 278 . 1 . 1 24 24 LYS HB2 H 1 1.812 0.000 . 2 . . . . A 24 LYS HB2 . 30352 1 279 . 1 . 1 24 24 LYS HB3 H 1 1.860 0.000 . 2 . . . . A 24 LYS HB3 . 30352 1 280 . 1 . 1 24 24 LYS HG2 H 1 1.596 0.000 . 2 . . . . A 24 LYS HG2 . 30352 1 281 . 1 . 1 24 24 LYS HG3 H 1 1.417 0.000 . 2 . . . . A 24 LYS HG3 . 30352 1 282 . 1 . 1 24 24 LYS HD2 H 1 1.809 0.000 . 2 . . . . A 24 LYS HD2 . 30352 1 283 . 1 . 1 24 24 LYS HD3 H 1 1.451 0.000 . 2 . . . . A 24 LYS HD3 . 30352 1 284 . 1 . 1 24 24 LYS HE2 H 1 2.954 0.002 . 2 . . . . A 24 LYS HE2 . 30352 1 285 . 1 . 1 24 24 LYS HE3 H 1 2.954 0.002 . 2 . . . . A 24 LYS HE3 . 30352 1 286 . 1 . 1 24 24 LYS C C 13 175.589 0.000 . 1 . . . . A 24 LYS C . 30352 1 287 . 1 . 1 24 24 LYS CA C 13 55.984 0.000 . 1 . . . . A 24 LYS CA . 30352 1 288 . 1 . 1 24 24 LYS CB C 13 35.181 0.000 . 1 . . . . A 24 LYS CB . 30352 1 289 . 1 . 1 24 24 LYS CG C 13 25.738 0.000 . 1 . . . . A 24 LYS CG . 30352 1 290 . 1 . 1 24 24 LYS CD C 13 29.296 0.021 . 1 . . . . A 24 LYS CD . 30352 1 291 . 1 . 1 24 24 LYS CE C 13 42.898 0.000 . 1 . . . . A 24 LYS CE . 30352 1 292 . 1 . 1 24 24 LYS N N 15 119.900 0.004 . 1 . . . . A 24 LYS N . 30352 1 293 . 1 . 1 25 25 GLU H H 1 8.686 0.002 . 1 . . . . A 25 GLU H . 30352 1 294 . 1 . 1 25 25 GLU HA H 1 4.009 0.000 . 1 . . . . A 25 GLU HA . 30352 1 295 . 1 . 1 25 25 GLU HB2 H 1 1.747 0.000 . 2 . . . . A 25 GLU HB2 . 30352 1 296 . 1 . 1 25 25 GLU HB3 H 1 1.910 0.000 . 2 . . . . A 25 GLU HB3 . 30352 1 297 . 1 . 1 25 25 GLU HG2 H 1 2.553 0.004 . 2 . . . . A 25 GLU HG2 . 30352 1 298 . 1 . 1 25 25 GLU HG3 H 1 2.099 0.000 . 2 . . . . A 25 GLU HG3 . 30352 1 299 . 1 . 1 25 25 GLU CA C 13 54.511 0.000 . 1 . . . . A 25 GLU CA . 30352 1 300 . 1 . 1 25 25 GLU CB C 13 29.530 0.000 . 1 . . . . A 25 GLU CB . 30352 1 301 . 1 . 1 25 25 GLU CG C 13 36.094 0.005 . 1 . . . . A 25 GLU CG . 30352 1 302 . 1 . 1 25 25 GLU N N 15 123.239 0.012 . 1 . . . . A 25 GLU N . 30352 1 303 . 1 . 1 26 26 PRO HA H 1 3.696 0.000 . 1 . . . . A 26 PRO HA . 30352 1 304 . 1 . 1 26 26 PRO HB2 H 1 1.248 0.002 . 2 . . . . A 26 PRO HB2 . 30352 1 305 . 1 . 1 26 26 PRO HB3 H 1 2.202 0.004 . 2 . . . . A 26 PRO HB3 . 30352 1 306 . 1 . 1 26 26 PRO C C 13 176.362 0.000 . 1 . . . . A 26 PRO C . 30352 1 307 . 1 . 1 26 26 PRO CA C 13 63.854 0.000 . 1 . . . . A 26 PRO CA . 30352 1 308 . 1 . 1 26 26 PRO CB C 13 31.428 0.010 . 1 . . . . A 26 PRO CB . 30352 1 309 . 1 . 1 27 27 GLY H H 1 9.002 0.001 . 1 . . . . A 27 GLY H . 30352 1 310 . 1 . 1 27 27 GLY HA2 H 1 3.532 0.005 . 2 . . . . A 27 GLY HA2 . 30352 1 311 . 1 . 1 27 27 GLY HA3 H 1 4.114 0.004 . 2 . . . . A 27 GLY HA3 . 30352 1 312 . 1 . 1 27 27 GLY C C 13 173.553 0.000 . 1 . . . . A 27 GLY C . 30352 1 313 . 1 . 1 27 27 GLY CA C 13 44.698 0.022 . 1 . . . . A 27 GLY CA . 30352 1 314 . 1 . 1 27 27 GLY N N 15 111.521 0.007 . 1 . . . . A 27 GLY N . 30352 1 315 . 1 . 1 28 28 ASP H H 1 8.303 0.001 . 1 . . . . A 28 ASP H . 30352 1 316 . 1 . 1 28 28 ASP HA H 1 4.615 0.001 . 1 . . . . A 28 ASP HA . 30352 1 317 . 1 . 1 28 28 ASP HB2 H 1 2.911 0.000 . 2 . . . . A 28 ASP HB2 . 30352 1 318 . 1 . 1 28 28 ASP HB3 H 1 2.560 0.000 . 2 . . . . A 28 ASP HB3 . 30352 1 319 . 1 . 1 28 28 ASP C C 13 176.116 0.000 . 1 . . . . A 28 ASP C . 30352 1 320 . 1 . 1 28 28 ASP CA C 13 53.576 0.000 . 1 . . . . A 28 ASP CA . 30352 1 321 . 1 . 1 28 28 ASP CB C 13 41.271 0.001 . 1 . . . . A 28 ASP CB . 30352 1 322 . 1 . 1 28 28 ASP N N 15 121.251 0.009 . 1 . . . . A 28 ASP N . 30352 1 323 . 1 . 1 29 29 SER H H 1 8.420 0.001 . 1 . . . . A 29 SER H . 30352 1 324 . 1 . 1 29 29 SER HA H 1 4.763 0.005 . 1 . . . . A 29 SER HA . 30352 1 325 . 1 . 1 29 29 SER HB2 H 1 3.805 0.000 . 2 . . . . A 29 SER HB2 . 30352 1 326 . 1 . 1 29 29 SER HB3 H 1 3.805 0.000 . 2 . . . . A 29 SER HB3 . 30352 1 327 . 1 . 1 29 29 SER C C 13 173.056 0.000 . 1 . . . . A 29 SER C . 30352 1 328 . 1 . 1 29 29 SER CA C 13 58.686 0.001 . 1 . . . . A 29 SER CA . 30352 1 329 . 1 . 1 29 29 SER CB C 13 63.657 0.019 . 1 . . . . A 29 SER CB . 30352 1 330 . 1 . 1 29 29 SER N N 15 116.163 0.008 . 1 . . . . A 29 SER N . 30352 1 331 . 1 . 1 30 30 CYS H H 1 7.787 0.002 . 1 . . . . A 30 CYS H . 30352 1 332 . 1 . 1 30 30 CYS HA H 1 4.810 0.004 . 1 . . . . A 30 CYS HA . 30352 1 333 . 1 . 1 30 30 CYS HB2 H 1 2.949 0.001 . 2 . . . . A 30 CYS HB2 . 30352 1 334 . 1 . 1 30 30 CYS HB3 H 1 3.107 0.001 . 2 . . . . A 30 CYS HB3 . 30352 1 335 . 1 . 1 30 30 CYS C C 13 172.749 0.000 . 1 . . . . A 30 CYS C . 30352 1 336 . 1 . 1 30 30 CYS CA C 13 53.492 0.000 . 1 . . . . A 30 CYS CA . 30352 1 337 . 1 . 1 30 30 CYS CB C 13 47.645 0.028 . 1 . . . . A 30 CYS CB . 30352 1 338 . 1 . 1 30 30 CYS N N 15 117.124 0.014 . 1 . . . . A 30 CYS N . 30352 1 339 . 1 . 1 31 31 SER H H 1 9.482 0.003 . 1 . . . . A 31 SER H . 30352 1 340 . 1 . 1 31 31 SER HA H 1 4.462 0.001 . 1 . . . . A 31 SER HA . 30352 1 341 . 1 . 1 31 31 SER HB2 H 1 3.790 0.000 . 2 . . . . A 31 SER HB2 . 30352 1 342 . 1 . 1 31 31 SER HB3 H 1 3.723 0.000 . 2 . . . . A 31 SER HB3 . 30352 1 343 . 1 . 1 31 31 SER C C 13 173.875 0.000 . 1 . . . . A 31 SER C . 30352 1 344 . 1 . 1 31 31 SER CA C 13 59.072 0.000 . 1 . . . . A 31 SER CA . 30352 1 345 . 1 . 1 31 31 SER CB C 13 65.057 0.014 . 1 . . . . A 31 SER CB . 30352 1 346 . 1 . 1 31 31 SER N N 15 113.471 0.010 . 1 . . . . A 31 SER N . 30352 1 347 . 1 . 1 32 32 LYS H H 1 7.802 0.007 . 1 . . . . A 32 LYS H . 30352 1 348 . 1 . 1 32 32 LYS HA H 1 4.554 0.017 . 1 . . . . A 32 LYS HA . 30352 1 349 . 1 . 1 32 32 LYS HB2 H 1 1.649 0.000 . 2 . . . . A 32 LYS HB2 . 30352 1 350 . 1 . 1 32 32 LYS HB3 H 1 1.950 0.000 . 2 . . . . A 32 LYS HB3 . 30352 1 351 . 1 . 1 32 32 LYS HG2 H 1 1.251 0.000 . 2 . . . . A 32 LYS HG2 . 30352 1 352 . 1 . 1 32 32 LYS HG3 H 1 1.251 0.000 . 2 . . . . A 32 LYS HG3 . 30352 1 353 . 1 . 1 32 32 LYS C C 13 176.356 0.000 . 1 . . . . A 32 LYS C . 30352 1 354 . 1 . 1 32 32 LYS CA C 13 54.726 0.000 . 1 . . . . A 32 LYS CA . 30352 1 355 . 1 . 1 32 32 LYS CB C 13 35.850 0.000 . 1 . . . . A 32 LYS CB . 30352 1 356 . 1 . 1 32 32 LYS CG C 13 24.551 0.001 . 1 . . . . A 32 LYS CG . 30352 1 357 . 1 . 1 32 32 LYS N N 15 120.062 0.006 . 1 . . . . A 32 LYS N . 30352 1 358 . 1 . 1 33 33 ARG H H 1 8.889 0.002 . 1 . . . . A 33 ARG H . 30352 1 359 . 1 . 1 33 33 ARG HA H 1 3.631 0.000 . 1 . . . . A 33 ARG HA . 30352 1 360 . 1 . 1 33 33 ARG HB2 H 1 1.923 0.000 . 2 . . . . A 33 ARG HB2 . 30352 1 361 . 1 . 1 33 33 ARG HB3 H 1 1.783 0.000 . 2 . . . . A 33 ARG HB3 . 30352 1 362 . 1 . 1 33 33 ARG HG2 H 1 1.491 0.000 . 2 . . . . A 33 ARG HG2 . 30352 1 363 . 1 . 1 33 33 ARG HG3 H 1 1.491 0.000 . 2 . . . . A 33 ARG HG3 . 30352 1 364 . 1 . 1 33 33 ARG HD2 H 1 3.189 0.000 . 2 . . . . A 33 ARG HD2 . 30352 1 365 . 1 . 1 33 33 ARG HD3 H 1 3.189 0.000 . 2 . . . . A 33 ARG HD3 . 30352 1 366 . 1 . 1 33 33 ARG HE H 1 7.121 0.000 . 1 . . . . A 33 ARG HE . 30352 1 367 . 1 . 1 33 33 ARG C C 13 178.014 0.000 . 1 . . . . A 33 ARG C . 30352 1 368 . 1 . 1 33 33 ARG CA C 13 60.063 0.000 . 1 . . . . A 33 ARG CA . 30352 1 369 . 1 . 1 33 33 ARG CB C 13 29.897 0.012 . 1 . . . . A 33 ARG CB . 30352 1 370 . 1 . 1 33 33 ARG CG C 13 26.640 0.000 . 1 . . . . A 33 ARG CG . 30352 1 371 . 1 . 1 33 33 ARG CD C 13 43.641 0.000 . 1 . . . . A 33 ARG CD . 30352 1 372 . 1 . 1 33 33 ARG N N 15 121.120 0.022 . 1 . . . . A 33 ARG N . 30352 1 373 . 1 . 1 33 33 ARG NE N 15 84.289 0.000 . 1 . . . . A 33 ARG NE . 30352 1 374 . 1 . 1 34 34 ASP H H 1 8.429 0.002 . 1 . . . . A 34 ASP H . 30352 1 375 . 1 . 1 34 34 ASP HA H 1 4.284 0.003 . 1 . . . . A 34 ASP HA . 30352 1 376 . 1 . 1 34 34 ASP HB2 H 1 2.673 0.000 . 2 . . . . A 34 ASP HB2 . 30352 1 377 . 1 . 1 34 34 ASP HB3 H 1 2.553 0.000 . 2 . . . . A 34 ASP HB3 . 30352 1 378 . 1 . 1 34 34 ASP C C 13 176.537 0.000 . 1 . . . . A 34 ASP C . 30352 1 379 . 1 . 1 34 34 ASP CA C 13 55.508 0.000 . 1 . . . . A 34 ASP CA . 30352 1 380 . 1 . 1 34 34 ASP CB C 13 39.422 0.029 . 1 . . . . A 34 ASP CB . 30352 1 381 . 1 . 1 34 34 ASP N N 15 115.759 0.001 . 1 . . . . A 34 ASP N . 30352 1 382 . 1 . 1 35 35 GLU H H 1 7.311 0.003 . 1 . . . . A 35 GLU H . 30352 1 383 . 1 . 1 35 35 GLU HA H 1 4.166 0.000 . 1 . . . . A 35 GLU HA . 30352 1 384 . 1 . 1 35 35 GLU HB2 H 1 2.205 0.000 . 2 . . . . A 35 GLU HB2 . 30352 1 385 . 1 . 1 35 35 GLU HB3 H 1 1.907 0.000 . 2 . . . . A 35 GLU HB3 . 30352 1 386 . 1 . 1 35 35 GLU HG2 H 1 2.376 0.000 . 2 . . . . A 35 GLU HG2 . 30352 1 387 . 1 . 1 35 35 GLU HG3 H 1 2.134 0.000 . 2 . . . . A 35 GLU HG3 . 30352 1 388 . 1 . 1 35 35 GLU C C 13 176.895 0.000 . 1 . . . . A 35 GLU C . 30352 1 389 . 1 . 1 35 35 GLU CA C 13 57.040 0.000 . 1 . . . . A 35 GLU CA . 30352 1 390 . 1 . 1 35 35 GLU CB C 13 31.501 0.000 . 1 . . . . A 35 GLU CB . 30352 1 391 . 1 . 1 35 35 GLU CG C 13 36.299 0.056 . 1 . . . . A 35 GLU CG . 30352 1 392 . 1 . 1 35 35 GLU N N 15 116.107 0.003 . 1 . . . . A 35 GLU N . 30352 1 393 . 1 . 1 36 36 CYS H H 1 7.378 0.004 . 1 . . . . A 36 CYS H . 30352 1 394 . 1 . 1 36 36 CYS HA H 1 4.767 0.000 . 1 . . . . A 36 CYS HA . 30352 1 395 . 1 . 1 36 36 CYS HB2 H 1 3.390 0.001 . 2 . . . . A 36 CYS HB2 . 30352 1 396 . 1 . 1 36 36 CYS HB3 H 1 2.410 0.002 . 2 . . . . A 36 CYS HB3 . 30352 1 397 . 1 . 1 36 36 CYS C C 13 175.875 0.000 . 1 . . . . A 36 CYS C . 30352 1 398 . 1 . 1 36 36 CYS CA C 13 54.848 0.000 . 1 . . . . A 36 CYS CA . 30352 1 399 . 1 . 1 36 36 CYS CB C 13 37.697 0.029 . 1 . . . . A 36 CYS CB . 30352 1 400 . 1 . 1 36 36 CYS N N 15 118.020 0.001 . 1 . . . . A 36 CYS N . 30352 1 401 . 1 . 1 37 37 CYS H H 1 10.026 0.000 . 1 . . . . A 37 CYS H . 30352 1 402 . 1 . 1 37 37 CYS HA H 1 4.446 0.000 . 1 . . . . A 37 CYS HA . 30352 1 403 . 1 . 1 37 37 CYS HB2 H 1 2.048 0.000 . 2 . . . . A 37 CYS HB2 . 30352 1 404 . 1 . 1 37 37 CYS HB3 H 1 3.236 0.000 . 2 . . . . A 37 CYS HB3 . 30352 1 405 . 1 . 1 37 37 CYS C C 13 173.265 0.000 . 1 . . . . A 37 CYS C . 30352 1 406 . 1 . 1 37 37 CYS CA C 13 54.933 0.000 . 1 . . . . A 37 CYS CA . 30352 1 407 . 1 . 1 37 37 CYS CB C 13 39.216 0.008 . 1 . . . . A 37 CYS CB . 30352 1 408 . 1 . 1 37 37 CYS N N 15 124.805 0.040 . 1 . . . . A 37 CYS N . 30352 1 409 . 1 . 1 38 38 LYS H H 1 8.673 0.002 . 1 . . . . A 38 LYS H . 30352 1 410 . 1 . 1 38 38 LYS HA H 1 4.276 0.000 . 1 . . . . A 38 LYS HA . 30352 1 411 . 1 . 1 38 38 LYS HB2 H 1 1.590 0.000 . 2 . . . . A 38 LYS HB2 . 30352 1 412 . 1 . 1 38 38 LYS HB3 H 1 1.766 0.000 . 2 . . . . A 38 LYS HB3 . 30352 1 413 . 1 . 1 38 38 LYS HG2 H 1 1.408 0.000 . 2 . . . . A 38 LYS HG2 . 30352 1 414 . 1 . 1 38 38 LYS HG3 H 1 1.321 0.000 . 2 . . . . A 38 LYS HG3 . 30352 1 415 . 1 . 1 38 38 LYS C C 13 176.758 0.000 . 1 . . . . A 38 LYS C . 30352 1 416 . 1 . 1 38 38 LYS CA C 13 54.826 0.000 . 1 . . . . A 38 LYS CA . 30352 1 417 . 1 . 1 38 38 LYS CB C 13 34.549 0.000 . 1 . . . . A 38 LYS CB . 30352 1 418 . 1 . 1 38 38 LYS CG C 13 25.716 0.000 . 1 . . . . A 38 LYS CG . 30352 1 419 . 1 . 1 38 38 LYS N N 15 120.797 0.002 . 1 . . . . A 38 LYS N . 30352 1 420 . 1 . 1 39 39 ALA H H 1 8.515 0.002 . 1 . . . . A 39 ALA H . 30352 1 421 . 1 . 1 39 39 ALA HA H 1 4.033 0.000 . 1 . . . . A 39 ALA HA . 30352 1 422 . 1 . 1 39 39 ALA HB1 H 1 1.202 0.000 . 1 . . . . A 39 ALA HB1 . 30352 1 423 . 1 . 1 39 39 ALA HB2 H 1 1.202 0.000 . 1 . . . . A 39 ALA HB2 . 30352 1 424 . 1 . 1 39 39 ALA HB3 H 1 1.202 0.000 . 1 . . . . A 39 ALA HB3 . 30352 1 425 . 1 . 1 39 39 ALA C C 13 176.607 0.000 . 1 . . . . A 39 ALA C . 30352 1 426 . 1 . 1 39 39 ALA CA C 13 51.836 0.000 . 1 . . . . A 39 ALA CA . 30352 1 427 . 1 . 1 39 39 ALA CB C 13 20.385 0.001 . 1 . . . . A 39 ALA CB . 30352 1 428 . 1 . 1 39 39 ALA N N 15 121.879 0.007 . 1 . . . . A 39 ALA N . 30352 1 429 . 1 . 1 40 40 ASP H H 1 8.024 0.004 . 1 . . . . A 40 ASP H . 30352 1 430 . 1 . 1 40 40 ASP HA H 1 4.244 0.000 . 1 . . . . A 40 ASP HA . 30352 1 431 . 1 . 1 40 40 ASP HB2 H 1 2.550 0.000 . 2 . . . . A 40 ASP HB2 . 30352 1 432 . 1 . 1 40 40 ASP HB3 H 1 2.622 0.000 . 2 . . . . A 40 ASP HB3 . 30352 1 433 . 1 . 1 40 40 ASP C C 13 176.595 0.000 . 1 . . . . A 40 ASP C . 30352 1 434 . 1 . 1 40 40 ASP CA C 13 56.599 0.000 . 1 . . . . A 40 ASP CA . 30352 1 435 . 1 . 1 40 40 ASP CB C 13 38.513 0.000 . 1 . . . . A 40 ASP CB . 30352 1 436 . 1 . 1 40 40 ASP N N 15 120.135 0.002 . 1 . . . . A 40 ASP N . 30352 1 437 . 1 . 1 41 41 ASP H H 1 8.511 0.003 . 1 . . . . A 41 ASP H . 30352 1 438 . 1 . 1 41 41 ASP HA H 1 4.826 0.000 . 1 . . . . A 41 ASP HA . 30352 1 439 . 1 . 1 41 41 ASP HB2 H 1 3.090 0.000 . 2 . . . . A 41 ASP HB2 . 30352 1 440 . 1 . 1 41 41 ASP HB3 H 1 2.616 0.000 . 2 . . . . A 41 ASP HB3 . 30352 1 441 . 1 . 1 41 41 ASP C C 13 175.836 0.000 . 1 . . . . A 41 ASP C . 30352 1 442 . 1 . 1 41 41 ASP CA C 13 51.757 0.000 . 1 . . . . A 41 ASP CA . 30352 1 443 . 1 . 1 41 41 ASP CB C 13 39.390 0.018 . 1 . . . . A 41 ASP CB . 30352 1 444 . 1 . 1 41 41 ASP N N 15 117.567 0.015 . 1 . . . . A 41 ASP N . 30352 1 445 . 1 . 1 42 42 GLN H H 1 8.270 0.004 . 1 . . . . A 42 GLN H . 30352 1 446 . 1 . 1 42 42 GLN HA H 1 4.594 0.000 . 1 . . . . A 42 GLN HA . 30352 1 447 . 1 . 1 42 42 GLN HB2 H 1 2.348 0.001 . 2 . . . . A 42 GLN HB2 . 30352 1 448 . 1 . 1 42 42 GLN HB3 H 1 1.802 0.000 . 2 . . . . A 42 GLN HB3 . 30352 1 449 . 1 . 1 42 42 GLN HG2 H 1 2.508 0.000 . 2 . . . . A 42 GLN HG2 . 30352 1 450 . 1 . 1 42 42 GLN HG3 H 1 2.384 0.000 . 2 . . . . A 42 GLN HG3 . 30352 1 451 . 1 . 1 42 42 GLN C C 13 176.498 0.000 . 1 . . . . A 42 GLN C . 30352 1 452 . 1 . 1 42 42 GLN CA C 13 56.797 0.000 . 1 . . . . A 42 GLN CA . 30352 1 453 . 1 . 1 42 42 GLN CB C 13 29.006 0.032 . 1 . . . . A 42 GLN CB . 30352 1 454 . 1 . 1 42 42 GLN CG C 13 35.096 0.030 . 1 . . . . A 42 GLN CG . 30352 1 455 . 1 . 1 42 42 GLN N N 15 121.347 0.005 . 1 . . . . A 42 GLN N . 30352 1 456 . 1 . 1 43 43 LYS H H 1 8.041 0.002 . 1 . . . . A 43 LYS H . 30352 1 457 . 1 . 1 43 43 LYS HA H 1 4.203 0.000 . 1 . . . . A 43 LYS HA . 30352 1 458 . 1 . 1 43 43 LYS HB2 H 1 1.822 0.000 . 2 . . . . A 43 LYS HB2 . 30352 1 459 . 1 . 1 43 43 LYS HB3 H 1 1.822 0.000 . 2 . . . . A 43 LYS HB3 . 30352 1 460 . 1 . 1 43 43 LYS HG2 H 1 1.387 0.000 . 2 . . . . A 43 LYS HG2 . 30352 1 461 . 1 . 1 43 43 LYS HG3 H 1 1.283 0.000 . 2 . . . . A 43 LYS HG3 . 30352 1 462 . 1 . 1 43 43 LYS HD2 H 1 1.574 0.000 . 2 . . . . A 43 LYS HD2 . 30352 1 463 . 1 . 1 43 43 LYS HD3 H 1 1.551 0.000 . 2 . . . . A 43 LYS HD3 . 30352 1 464 . 1 . 1 43 43 LYS HE2 H 1 2.886 0.000 . 2 . . . . A 43 LYS HE2 . 30352 1 465 . 1 . 1 43 43 LYS HE3 H 1 2.886 0.000 . 2 . . . . A 43 LYS HE3 . 30352 1 466 . 1 . 1 43 43 LYS C C 13 178.181 0.000 . 1 . . . . A 43 LYS C . 30352 1 467 . 1 . 1 43 43 LYS CA C 13 57.685 0.000 . 1 . . . . A 43 LYS CA . 30352 1 468 . 1 . 1 43 43 LYS CB C 13 32.371 0.000 . 1 . . . . A 43 LYS CB . 30352 1 469 . 1 . 1 43 43 LYS CG C 13 25.011 0.000 . 1 . . . . A 43 LYS CG . 30352 1 470 . 1 . 1 43 43 LYS CD C 13 29.058 0.019 . 1 . . . . A 43 LYS CD . 30352 1 471 . 1 . 1 43 43 LYS CE C 13 42.051 0.000 . 1 . . . . A 43 LYS CE . 30352 1 472 . 1 . 1 43 43 LYS N N 15 118.711 0.002 . 1 . . . . A 43 LYS N . 30352 1 473 . 1 . 1 44 44 THR H H 1 7.249 0.003 . 1 . . . . A 44 THR H . 30352 1 474 . 1 . 1 44 44 THR HA H 1 3.686 0.005 . 1 . . . . A 44 THR HA . 30352 1 475 . 1 . 1 44 44 THR HB H 1 3.203 0.002 . 1 . . . . A 44 THR HB . 30352 1 476 . 1 . 1 44 44 THR HG21 H 1 0.361 0.000 . 1 . . . . A 44 THR HG21 . 30352 1 477 . 1 . 1 44 44 THR HG22 H 1 0.361 0.000 . 1 . . . . A 44 THR HG22 . 30352 1 478 . 1 . 1 44 44 THR HG23 H 1 0.361 0.000 . 1 . . . . A 44 THR HG23 . 30352 1 479 . 1 . 1 44 44 THR C C 13 174.258 0.000 . 1 . . . . A 44 THR C . 30352 1 480 . 1 . 1 44 44 THR CA C 13 64.212 0.000 . 1 . . . . A 44 THR CA . 30352 1 481 . 1 . 1 44 44 THR CB C 13 69.033 0.000 . 1 . . . . A 44 THR CB . 30352 1 482 . 1 . 1 44 44 THR CG2 C 13 21.960 0.000 . 1 . . . . A 44 THR CG2 . 30352 1 483 . 1 . 1 44 44 THR N N 15 114.815 0.003 . 1 . . . . A 44 THR N . 30352 1 484 . 1 . 1 45 45 TYR H H 1 7.558 0.003 . 1 . . . . A 45 TYR H . 30352 1 485 . 1 . 1 45 45 TYR HA H 1 5.198 0.000 . 1 . . . . A 45 TYR HA . 30352 1 486 . 1 . 1 45 45 TYR HB2 H 1 2.700 0.000 . 2 . . . . A 45 TYR HB2 . 30352 1 487 . 1 . 1 45 45 TYR HB3 H 1 2.546 0.000 . 2 . . . . A 45 TYR HB3 . 30352 1 488 . 1 . 1 45 45 TYR HD1 H 1 7.063 0.000 . 1 . . . . A 45 TYR HD1 . 30352 1 489 . 1 . 1 45 45 TYR HD2 H 1 7.063 0.000 . 1 . . . . A 45 TYR HD2 . 30352 1 490 . 1 . 1 45 45 TYR HE1 H 1 6.761 0.000 . 1 . . . . A 45 TYR HE1 . 30352 1 491 . 1 . 1 45 45 TYR HE2 H 1 6.761 0.000 . 1 . . . . A 45 TYR HE2 . 30352 1 492 . 1 . 1 45 45 TYR C C 13 174.519 0.000 . 1 . . . . A 45 TYR C . 30352 1 493 . 1 . 1 45 45 TYR CA C 13 57.274 0.000 . 1 . . . . A 45 TYR CA . 30352 1 494 . 1 . 1 45 45 TYR CB C 13 41.442 0.000 . 1 . . . . A 45 TYR CB . 30352 1 495 . 1 . 1 45 45 TYR CD2 C 13 133.970 0.003 . 1 . . . . A 45 TYR CD2 . 30352 1 496 . 1 . 1 45 45 TYR CE1 C 13 118.424 0.049 . 1 . . . . A 45 TYR CE1 . 30352 1 497 . 1 . 1 45 45 TYR N N 15 118.832 0.008 . 1 . . . . A 45 TYR N . 30352 1 498 . 1 . 1 46 46 SER H H 1 9.066 0.001 . 1 . . . . A 46 SER H . 30352 1 499 . 1 . 1 46 46 SER HA H 1 4.739 0.001 . 1 . . . . A 46 SER HA . 30352 1 500 . 1 . 1 46 46 SER HB2 H 1 3.729 0.000 . 2 . . . . A 46 SER HB2 . 30352 1 501 . 1 . 1 46 46 SER HB3 H 1 3.729 0.000 . 2 . . . . A 46 SER HB3 . 30352 1 502 . 1 . 1 46 46 SER C C 13 172.770 0.000 . 1 . . . . A 46 SER C . 30352 1 503 . 1 . 1 46 46 SER CA C 13 56.271 0.000 . 1 . . . . A 46 SER CA . 30352 1 504 . 1 . 1 46 46 SER CB C 13 65.566 0.001 . 1 . . . . A 46 SER CB . 30352 1 505 . 1 . 1 46 46 SER N N 15 116.036 0.006 . 1 . . . . A 46 SER N . 30352 1 506 . 1 . 1 47 47 SER H H 1 8.064 0.000 . 1 . . . . A 47 SER H . 30352 1 507 . 1 . 1 47 47 SER HA H 1 5.226 0.001 . 1 . . . . A 47 SER HA . 30352 1 508 . 1 . 1 47 47 SER HB2 H 1 3.597 0.000 . 2 . . . . A 47 SER HB2 . 30352 1 509 . 1 . 1 47 47 SER HB3 H 1 3.597 0.000 . 2 . . . . A 47 SER HB3 . 30352 1 510 . 1 . 1 47 47 SER C C 13 173.773 0.000 . 1 . . . . A 47 SER C . 30352 1 511 . 1 . 1 47 47 SER CA C 13 56.102 0.000 . 1 . . . . A 47 SER CA . 30352 1 512 . 1 . 1 47 47 SER CB C 13 66.266 0.000 . 1 . . . . A 47 SER CB . 30352 1 513 . 1 . 1 47 47 SER N N 15 115.742 0.000 . 1 . . . . A 47 SER N . 30352 1 514 . 1 . 1 48 48 GLY H H 1 7.309 0.003 . 1 . . . . A 48 GLY H . 30352 1 515 . 1 . 1 48 48 GLY HA2 H 1 3.728 0.000 . 2 . . . . A 48 GLY HA2 . 30352 1 516 . 1 . 1 48 48 GLY HA3 H 1 3.553 0.000 . 2 . . . . A 48 GLY HA3 . 30352 1 517 . 1 . 1 48 48 GLY C C 13 168.296 0.000 . 1 . . . . A 48 GLY C . 30352 1 518 . 1 . 1 48 48 GLY CA C 13 45.441 0.000 . 1 . . . . A 48 GLY CA . 30352 1 519 . 1 . 1 48 48 GLY N N 15 107.064 0.003 . 1 . . . . A 48 GLY N . 30352 1 520 . 1 . 1 49 49 CYS H H 1 8.307 0.003 . 1 . . . . A 49 CYS H . 30352 1 521 . 1 . 1 49 49 CYS HA H 1 4.970 0.000 . 1 . . . . A 49 CYS HA . 30352 1 522 . 1 . 1 49 49 CYS HB2 H 1 2.495 0.000 . 2 . . . . A 49 CYS HB2 . 30352 1 523 . 1 . 1 49 49 CYS HB3 H 1 2.563 0.000 . 2 . . . . A 49 CYS HB3 . 30352 1 524 . 1 . 1 49 49 CYS C C 13 173.424 0.000 . 1 . . . . A 49 CYS C . 30352 1 525 . 1 . 1 49 49 CYS CA C 13 54.764 0.000 . 1 . . . . A 49 CYS CA . 30352 1 526 . 1 . 1 49 49 CYS CB C 13 42.451 0.012 . 1 . . . . A 49 CYS CB . 30352 1 527 . 1 . 1 49 49 CYS N N 15 118.652 0.021 . 1 . . . . A 49 CYS N . 30352 1 528 . 1 . 1 50 50 ALA H H 1 8.696 0.002 . 1 . . . . A 50 ALA H . 30352 1 529 . 1 . 1 50 50 ALA HA H 1 4.754 0.006 . 1 . . . . A 50 ALA HA . 30352 1 530 . 1 . 1 50 50 ALA HB1 H 1 1.392 0.002 . 1 . . . . A 50 ALA HB1 . 30352 1 531 . 1 . 1 50 50 ALA HB2 H 1 1.392 0.002 . 1 . . . . A 50 ALA HB2 . 30352 1 532 . 1 . 1 50 50 ALA HB3 H 1 1.392 0.002 . 1 . . . . A 50 ALA HB3 . 30352 1 533 . 1 . 1 50 50 ALA C C 13 176.727 0.000 . 1 . . . . A 50 ALA C . 30352 1 534 . 1 . 1 50 50 ALA CA C 13 51.474 0.000 . 1 . . . . A 50 ALA CA . 30352 1 535 . 1 . 1 50 50 ALA CB C 13 23.099 0.000 . 1 . . . . A 50 ALA CB . 30352 1 536 . 1 . 1 50 50 ALA N N 15 128.688 0.003 . 1 . . . . A 50 ALA N . 30352 1 537 . 1 . 1 51 51 GLN H H 1 8.726 0.003 . 1 . . . . A 51 GLN H . 30352 1 538 . 1 . 1 51 51 GLN HA H 1 4.602 0.001 . 1 . . . . A 51 GLN HA . 30352 1 539 . 1 . 1 51 51 GLN HB2 H 1 1.759 0.003 . 2 . . . . A 51 GLN HB2 . 30352 1 540 . 1 . 1 51 51 GLN HB3 H 1 1.756 0.000 . 2 . . . . A 51 GLN HB3 . 30352 1 541 . 1 . 1 51 51 GLN HG2 H 1 2.123 0.000 . 2 . . . . A 51 GLN HG2 . 30352 1 542 . 1 . 1 51 51 GLN HG3 H 1 2.042 0.000 . 2 . . . . A 51 GLN HG3 . 30352 1 543 . 1 . 1 51 51 GLN C C 13 175.406 0.000 . 1 . . . . A 51 GLN C . 30352 1 544 . 1 . 1 51 51 GLN CA C 13 56.550 0.000 . 1 . . . . A 51 GLN CA . 30352 1 545 . 1 . 1 51 51 GLN CB C 13 29.898 0.000 . 1 . . . . A 51 GLN CB . 30352 1 546 . 1 . 1 51 51 GLN CG C 13 34.403 0.028 . 1 . . . . A 51 GLN CG . 30352 1 547 . 1 . 1 51 51 GLN N N 15 120.857 0.018 . 1 . . . . A 51 GLN N . 30352 1 548 . 1 . 1 52 52 THR H H 1 9.095 0.001 . 1 . . . . A 52 THR H . 30352 1 549 . 1 . 1 52 52 THR HA H 1 4.700 0.001 . 1 . . . . A 52 THR HA . 30352 1 550 . 1 . 1 52 52 THR HB H 1 3.955 0.000 . 1 . . . . A 52 THR HB . 30352 1 551 . 1 . 1 52 52 THR HG21 H 1 1.012 0.000 . 1 . . . . A 52 THR HG21 . 30352 1 552 . 1 . 1 52 52 THR HG22 H 1 1.012 0.000 . 1 . . . . A 52 THR HG22 . 30352 1 553 . 1 . 1 52 52 THR HG23 H 1 1.012 0.000 . 1 . . . . A 52 THR HG23 . 30352 1 554 . 1 . 1 52 52 THR C C 13 172.183 0.000 . 1 . . . . A 52 THR C . 30352 1 555 . 1 . 1 52 52 THR CA C 13 60.903 0.001 . 1 . . . . A 52 THR CA . 30352 1 556 . 1 . 1 52 52 THR CB C 13 70.905 0.000 . 1 . . . . A 52 THR CB . 30352 1 557 . 1 . 1 52 52 THR CG2 C 13 19.761 0.000 . 1 . . . . A 52 THR CG2 . 30352 1 558 . 1 . 1 52 52 THR N N 15 120.172 0.000 . 1 . . . . A 52 THR N . 30352 1 559 . 1 . 1 53 53 TRP H H 1 8.750 0.002 . 1 . . . . A 53 TRP H . 30352 1 560 . 1 . 1 53 53 TRP HA H 1 3.957 0.001 . 1 . . . . A 53 TRP HA . 30352 1 561 . 1 . 1 53 53 TRP HB2 H 1 2.937 0.000 . 2 . . . . A 53 TRP HB2 . 30352 1 562 . 1 . 1 53 53 TRP HB3 H 1 2.776 0.000 . 2 . . . . A 53 TRP HB3 . 30352 1 563 . 1 . 1 53 53 TRP HD1 H 1 6.664 0.000 . 1 . . . . A 53 TRP HD1 . 30352 1 564 . 1 . 1 53 53 TRP HE1 H 1 9.954 0.000 . 1 . . . . A 53 TRP HE1 . 30352 1 565 . 1 . 1 53 53 TRP HE3 H 1 5.712 0.001 . 1 . . . . A 53 TRP HE3 . 30352 1 566 . 1 . 1 53 53 TRP HZ2 H 1 7.183 0.000 . 1 . . . . A 53 TRP HZ2 . 30352 1 567 . 1 . 1 53 53 TRP HZ3 H 1 6.539 0.000 . 1 . . . . A 53 TRP HZ3 . 30352 1 568 . 1 . 1 53 53 TRP HH2 H 1 6.866 0.001 . 1 . . . . A 53 TRP HH2 . 30352 1 569 . 1 . 1 53 53 TRP C C 13 175.553 0.000 . 1 . . . . A 53 TRP C . 30352 1 570 . 1 . 1 53 53 TRP CA C 13 58.327 0.058 . 1 . . . . A 53 TRP CA . 30352 1 571 . 1 . 1 53 53 TRP CB C 13 29.601 0.000 . 1 . . . . A 53 TRP CB . 30352 1 572 . 1 . 1 53 53 TRP CD1 C 13 126.764 0.006 . 1 . . . . A 53 TRP CD1 . 30352 1 573 . 1 . 1 53 53 TRP CE3 C 13 120.072 0.024 . 1 . . . . A 53 TRP CE3 . 30352 1 574 . 1 . 1 53 53 TRP CZ2 C 13 113.791 0.011 . 1 . . . . A 53 TRP CZ2 . 30352 1 575 . 1 . 1 53 53 TRP CZ3 C 13 121.586 0.060 . 1 . . . . A 53 TRP CZ3 . 30352 1 576 . 1 . 1 53 53 TRP CH2 C 13 124.634 0.019 . 1 . . . . A 53 TRP CH2 . 30352 1 577 . 1 . 1 53 53 TRP N N 15 126.769 0.001 . 1 . . . . A 53 TRP N . 30352 1 578 . 1 . 1 53 53 TRP NE1 N 15 128.365 0.000 . 1 . . . . A 53 TRP NE1 . 30352 1 579 . 1 . 1 54 54 SER H H 1 7.680 0.003 . 1 . . . . A 54 SER H . 30352 1 580 . 1 . 1 54 54 SER HA H 1 4.470 0.000 . 1 . . . . A 54 SER HA . 30352 1 581 . 1 . 1 54 54 SER HB2 H 1 3.484 0.000 . 2 . . . . A 54 SER HB2 . 30352 1 582 . 1 . 1 54 54 SER HB3 H 1 3.484 0.000 . 2 . . . . A 54 SER HB3 . 30352 1 583 . 1 . 1 54 54 SER C C 13 174.318 0.000 . 1 . . . . A 54 SER C . 30352 1 584 . 1 . 1 54 54 SER CA C 13 55.075 0.000 . 1 . . . . A 54 SER CA . 30352 1 585 . 1 . 1 54 54 SER CB C 13 63.719 0.001 . 1 . . . . A 54 SER CB . 30352 1 586 . 1 . 1 54 54 SER N N 15 122.459 0.007 . 1 . . . . A 54 SER N . 30352 1 587 . 1 . 1 55 55 ALA H H 1 8.679 0.003 . 1 . . . . A 55 ALA H . 30352 1 588 . 1 . 1 55 55 ALA HA H 1 3.831 0.000 . 1 . . . . A 55 ALA HA . 30352 1 589 . 1 . 1 55 55 ALA HB1 H 1 1.407 0.000 . 1 . . . . A 55 ALA HB1 . 30352 1 590 . 1 . 1 55 55 ALA HB2 H 1 1.407 0.000 . 1 . . . . A 55 ALA HB2 . 30352 1 591 . 1 . 1 55 55 ALA HB3 H 1 1.407 0.000 . 1 . . . . A 55 ALA HB3 . 30352 1 592 . 1 . 1 55 55 ALA C C 13 179.897 0.000 . 1 . . . . A 55 ALA C . 30352 1 593 . 1 . 1 55 55 ALA CA C 13 54.625 0.000 . 1 . . . . A 55 ALA CA . 30352 1 594 . 1 . 1 55 55 ALA CB C 13 18.480 0.001 . 1 . . . . A 55 ALA CB . 30352 1 595 . 1 . 1 55 55 ALA N N 15 131.817 0.007 . 1 . . . . A 55 ALA N . 30352 1 596 . 1 . 1 56 56 MET H H 1 8.053 0.004 . 1 . . . . A 56 MET H . 30352 1 597 . 1 . 1 56 56 MET HA H 1 4.066 0.000 . 1 . . . . A 56 MET HA . 30352 1 598 . 1 . 1 56 56 MET HB2 H 1 1.875 0.000 . 2 . . . . A 56 MET HB2 . 30352 1 599 . 1 . 1 56 56 MET HB3 H 1 1.818 0.000 . 2 . . . . A 56 MET HB3 . 30352 1 600 . 1 . 1 56 56 MET HG2 H 1 2.475 0.000 . 2 . . . . A 56 MET HG2 . 30352 1 601 . 1 . 1 56 56 MET HG3 H 1 2.394 0.000 . 2 . . . . A 56 MET HG3 . 30352 1 602 . 1 . 1 56 56 MET C C 13 177.440 0.000 . 1 . . . . A 56 MET C . 30352 1 603 . 1 . 1 56 56 MET CA C 13 57.766 0.000 . 1 . . . . A 56 MET CA . 30352 1 604 . 1 . 1 56 56 MET CB C 13 32.081 0.000 . 1 . . . . A 56 MET CB . 30352 1 605 . 1 . 1 56 56 MET CG C 13 32.105 0.003 . 1 . . . . A 56 MET CG . 30352 1 606 . 1 . 1 56 56 MET N N 15 115.996 0.007 . 1 . . . . A 56 MET N . 30352 1 607 . 1 . 1 57 57 GLU H H 1 7.345 0.005 . 1 . . . . A 57 GLU H . 30352 1 608 . 1 . 1 57 57 GLU HA H 1 4.130 0.004 . 1 . . . . A 57 GLU HA . 30352 1 609 . 1 . 1 57 57 GLU HB2 H 1 1.424 0.000 . 2 . . . . A 57 GLU HB2 . 30352 1 610 . 1 . 1 57 57 GLU HB3 H 1 1.890 0.000 . 2 . . . . A 57 GLU HB3 . 30352 1 611 . 1 . 1 57 57 GLU HG2 H 1 2.123 0.000 . 2 . . . . A 57 GLU HG2 . 30352 1 612 . 1 . 1 57 57 GLU HG3 H 1 2.123 0.000 . 2 . . . . A 57 GLU HG3 . 30352 1 613 . 1 . 1 57 57 GLU C C 13 176.637 0.000 . 1 . . . . A 57 GLU C . 30352 1 614 . 1 . 1 57 57 GLU CA C 13 55.764 0.000 . 1 . . . . A 57 GLU CA . 30352 1 615 . 1 . 1 57 57 GLU CB C 13 28.879 0.003 . 1 . . . . A 57 GLU CB . 30352 1 616 . 1 . 1 57 57 GLU CG C 13 33.881 0.000 . 1 . . . . A 57 GLU CG . 30352 1 617 . 1 . 1 57 57 GLU N N 15 115.242 0.006 . 1 . . . . A 57 GLU N . 30352 1 618 . 1 . 1 58 58 GLY H H 1 7.723 0.003 . 1 . . . . A 58 GLY H . 30352 1 619 . 1 . 1 58 58 GLY HA2 H 1 3.383 0.000 . 2 . . . . A 58 GLY HA2 . 30352 1 620 . 1 . 1 58 58 GLY HA3 H 1 3.735 0.000 . 2 . . . . A 58 GLY HA3 . 30352 1 621 . 1 . 1 58 58 GLY C C 13 173.844 0.000 . 1 . . . . A 58 GLY C . 30352 1 622 . 1 . 1 58 58 GLY CA C 13 46.145 0.029 . 1 . . . . A 58 GLY CA . 30352 1 623 . 1 . 1 58 58 GLY N N 15 109.063 0.005 . 1 . . . . A 58 GLY N . 30352 1 624 . 1 . 1 59 59 GLY H H 1 6.495 0.002 . 1 . . . . A 59 GLY H . 30352 1 625 . 1 . 1 59 59 GLY HA2 H 1 3.479 0.000 . 2 . . . . A 59 GLY HA2 . 30352 1 626 . 1 . 1 59 59 GLY HA3 H 1 3.030 0.000 . 2 . . . . A 59 GLY HA3 . 30352 1 627 . 1 . 1 59 59 GLY C C 13 171.140 0.000 . 1 . . . . A 59 GLY C . 30352 1 628 . 1 . 1 59 59 GLY CA C 13 44.528 0.001 . 1 . . . . A 59 GLY CA . 30352 1 629 . 1 . 1 59 59 GLY N N 15 105.253 0.005 . 1 . . . . A 59 GLY N . 30352 1 630 . 1 . 1 60 60 PHE H H 1 8.373 0.003 . 1 . . . . A 60 PHE H . 30352 1 631 . 1 . 1 60 60 PHE HA H 1 4.787 0.001 . 1 . . . . A 60 PHE HA . 30352 1 632 . 1 . 1 60 60 PHE HB2 H 1 2.776 0.000 . 2 . . . . A 60 PHE HB2 . 30352 1 633 . 1 . 1 60 60 PHE HB3 H 1 2.726 0.000 . 2 . . . . A 60 PHE HB3 . 30352 1 634 . 1 . 1 60 60 PHE HD1 H 1 7.136 0.001 . 1 . . . . A 60 PHE HD1 . 30352 1 635 . 1 . 1 60 60 PHE HD2 H 1 7.136 0.001 . 1 . . . . A 60 PHE HD2 . 30352 1 636 . 1 . 1 60 60 PHE HE1 H 1 7.389 0.001 . 1 . . . . A 60 PHE HE1 . 30352 1 637 . 1 . 1 60 60 PHE HE2 H 1 7.389 0.001 . 1 . . . . A 60 PHE HE2 . 30352 1 638 . 1 . 1 60 60 PHE HZ H 1 7.217 0.000 . 1 . . . . A 60 PHE HZ . 30352 1 639 . 1 . 1 60 60 PHE C C 13 176.489 0.000 . 1 . . . . A 60 PHE C . 30352 1 640 . 1 . 1 60 60 PHE CA C 13 59.087 0.000 . 1 . . . . A 60 PHE CA . 30352 1 641 . 1 . 1 60 60 PHE CB C 13 40.496 0.005 . 1 . . . . A 60 PHE CB . 30352 1 642 . 1 . 1 60 60 PHE CD1 C 13 131.861 0.000 . 1 . . . . A 60 PHE CD1 . 30352 1 643 . 1 . 1 60 60 PHE CE1 C 13 131.699 0.007 . 1 . . . . A 60 PHE CE1 . 30352 1 644 . 1 . 1 60 60 PHE CZ C 13 130.299 0.006 . 1 . . . . A 60 PHE CZ . 30352 1 645 . 1 . 1 60 60 PHE N N 15 118.280 0.011 . 1 . . . . A 60 PHE N . 30352 1 646 . 1 . 1 61 61 VAL H H 1 8.965 0.002 . 1 . . . . A 61 VAL H . 30352 1 647 . 1 . 1 61 61 VAL HA H 1 4.422 0.002 . 1 . . . . A 61 VAL HA . 30352 1 648 . 1 . 1 61 61 VAL HB H 1 1.988 0.006 . 1 . . . . A 61 VAL HB . 30352 1 649 . 1 . 1 61 61 VAL HG11 H 1 0.647 0.000 . 2 . . . . A 61 VAL HG11 . 30352 1 650 . 1 . 1 61 61 VAL HG12 H 1 0.647 0.000 . 2 . . . . A 61 VAL HG12 . 30352 1 651 . 1 . 1 61 61 VAL HG13 H 1 0.647 0.000 . 2 . . . . A 61 VAL HG13 . 30352 1 652 . 1 . 1 61 61 VAL HG21 H 1 0.721 0.000 . 2 . . . . A 61 VAL HG21 . 30352 1 653 . 1 . 1 61 61 VAL HG22 H 1 0.721 0.000 . 2 . . . . A 61 VAL HG22 . 30352 1 654 . 1 . 1 61 61 VAL HG23 H 1 0.721 0.000 . 2 . . . . A 61 VAL HG23 . 30352 1 655 . 1 . 1 61 61 VAL C C 13 174.857 0.000 . 1 . . . . A 61 VAL C . 30352 1 656 . 1 . 1 61 61 VAL CA C 13 59.958 0.000 . 1 . . . . A 61 VAL CA . 30352 1 657 . 1 . 1 61 61 VAL CB C 13 35.315 0.000 . 1 . . . . A 61 VAL CB . 30352 1 658 . 1 . 1 61 61 VAL CG1 C 13 19.482 0.000 . 1 . . . . A 61 VAL CG1 . 30352 1 659 . 1 . 1 61 61 VAL CG2 C 13 21.450 0.000 . 1 . . . . A 61 VAL CG2 . 30352 1 660 . 1 . 1 61 61 VAL N N 15 119.328 0.005 . 1 . . . . A 61 VAL N . 30352 1 661 . 1 . 1 62 62 ARG H H 1 8.419 0.003 . 1 . . . . A 62 ARG H . 30352 1 662 . 1 . 1 62 62 ARG HA H 1 4.687 0.004 . 1 . . . . A 62 ARG HA . 30352 1 663 . 1 . 1 62 62 ARG HB2 H 1 1.800 0.000 . 2 . . . . A 62 ARG HB2 . 30352 1 664 . 1 . 1 62 62 ARG HB3 H 1 1.800 0.000 . 2 . . . . A 62 ARG HB3 . 30352 1 665 . 1 . 1 62 62 ARG HG2 H 1 1.484 0.000 . 2 . . . . A 62 ARG HG2 . 30352 1 666 . 1 . 1 62 62 ARG HG3 H 1 1.257 0.000 . 2 . . . . A 62 ARG HG3 . 30352 1 667 . 1 . 1 62 62 ARG HD2 H 1 3.067 0.000 . 2 . . . . A 62 ARG HD2 . 30352 1 668 . 1 . 1 62 62 ARG HD3 H 1 3.031 0.000 . 2 . . . . A 62 ARG HD3 . 30352 1 669 . 1 . 1 62 62 ARG C C 13 176.543 0.000 . 1 . . . . A 62 ARG C . 30352 1 670 . 1 . 1 62 62 ARG CA C 13 56.409 0.000 . 1 . . . . A 62 ARG CA . 30352 1 671 . 1 . 1 62 62 ARG CB C 13 31.274 0.000 . 1 . . . . A 62 ARG CB . 30352 1 672 . 1 . 1 62 62 ARG CG C 13 28.620 0.020 . 1 . . . . A 62 ARG CG . 30352 1 673 . 1 . 1 62 62 ARG CD C 13 43.712 0.000 . 1 . . . . A 62 ARG CD . 30352 1 674 . 1 . 1 62 62 ARG N N 15 124.189 0.007 . 1 . . . . A 62 ARG N . 30352 1 675 . 1 . 1 63 63 GLU H H 1 8.416 0.005 . 1 . . . . A 63 GLU H . 30352 1 676 . 1 . 1 63 63 GLU HA H 1 5.215 0.000 . 1 . . . . A 63 GLU HA . 30352 1 677 . 1 . 1 63 63 GLU HB2 H 1 1.719 0.000 . 2 . . . . A 63 GLU HB2 . 30352 1 678 . 1 . 1 63 63 GLU HB3 H 1 1.578 0.000 . 2 . . . . A 63 GLU HB3 . 30352 1 679 . 1 . 1 63 63 GLU HG2 H 1 2.050 0.000 . 2 . . . . A 63 GLU HG2 . 30352 1 680 . 1 . 1 63 63 GLU HG3 H 1 1.958 0.000 . 2 . . . . A 63 GLU HG3 . 30352 1 681 . 1 . 1 63 63 GLU C C 13 176.955 0.000 . 1 . . . . A 63 GLU C . 30352 1 682 . 1 . 1 63 63 GLU CA C 13 54.113 0.000 . 1 . . . . A 63 GLU CA . 30352 1 683 . 1 . 1 63 63 GLU CB C 13 34.671 0.003 . 1 . . . . A 63 GLU CB . 30352 1 684 . 1 . 1 63 63 GLU CG C 13 33.672 0.006 . 1 . . . . A 63 GLU CG . 30352 1 685 . 1 . 1 63 63 GLU N N 15 121.715 0.001 . 1 . . . . A 63 GLU N . 30352 1 686 . 1 . 1 64 64 CYS H H 1 8.360 0.002 . 1 . . . . A 64 CYS H . 30352 1 687 . 1 . 1 64 64 CYS HA H 1 5.378 0.004 . 1 . . . . A 64 CYS HA . 30352 1 688 . 1 . 1 64 64 CYS HB2 H 1 3.100 0.001 . 2 . . . . A 64 CYS HB2 . 30352 1 689 . 1 . 1 64 64 CYS HB3 H 1 2.797 0.000 . 2 . . . . A 64 CYS HB3 . 30352 1 690 . 1 . 1 64 64 CYS C C 13 175.003 0.000 . 1 . . . . A 64 CYS C . 30352 1 691 . 1 . 1 64 64 CYS CA C 13 54.835 0.000 . 1 . . . . A 64 CYS CA . 30352 1 692 . 1 . 1 64 64 CYS CB C 13 38.425 0.000 . 1 . . . . A 64 CYS CB . 30352 1 693 . 1 . 1 64 64 CYS N N 15 120.930 0.016 . 1 . . . . A 64 CYS N . 30352 1 694 . 1 . 1 65 65 TYR H H 1 8.600 0.002 . 1 . . . . A 65 TYR H . 30352 1 695 . 1 . 1 65 65 TYR HA H 1 5.333 0.000 . 1 . . . . A 65 TYR HA . 30352 1 696 . 1 . 1 65 65 TYR HB2 H 1 2.805 0.000 . 2 . . . . A 65 TYR HB2 . 30352 1 697 . 1 . 1 65 65 TYR HB3 H 1 2.896 0.000 . 2 . . . . A 65 TYR HB3 . 30352 1 698 . 1 . 1 65 65 TYR HD1 H 1 6.746 0.000 . 1 . . . . A 65 TYR HD1 . 30352 1 699 . 1 . 1 65 65 TYR HD2 H 1 6.746 0.000 . 1 . . . . A 65 TYR HD2 . 30352 1 700 . 1 . 1 65 65 TYR HE1 H 1 6.497 0.000 . 1 . . . . A 65 TYR HE1 . 30352 1 701 . 1 . 1 65 65 TYR HE2 H 1 6.497 0.000 . 1 . . . . A 65 TYR HE2 . 30352 1 702 . 1 . 1 65 65 TYR C C 13 173.856 0.000 . 1 . . . . A 65 TYR C . 30352 1 703 . 1 . 1 65 65 TYR CA C 13 56.010 0.000 . 1 . . . . A 65 TYR CA . 30352 1 704 . 1 . 1 65 65 TYR CB C 13 42.509 0.012 . 1 . . . . A 65 TYR CB . 30352 1 705 . 1 . 1 65 65 TYR CD2 C 13 133.954 0.011 . 1 . . . . A 65 TYR CD2 . 30352 1 706 . 1 . 1 65 65 TYR CE2 C 13 117.479 0.000 . 1 . . . . A 65 TYR CE2 . 30352 1 707 . 1 . 1 65 65 TYR N N 15 117.985 0.003 . 1 . . . . A 65 TYR N . 30352 1 708 . 1 . 1 66 66 ILE H H 1 8.532 0.002 . 1 . . . . A 66 ILE H . 30352 1 709 . 1 . 1 66 66 ILE HA H 1 4.694 0.000 . 1 . . . . A 66 ILE HA . 30352 1 710 . 1 . 1 66 66 ILE HB H 1 1.413 0.000 . 1 . . . . A 66 ILE HB . 30352 1 711 . 1 . 1 66 66 ILE HG12 H 1 1.339 0.000 . 2 . . . . A 66 ILE HG12 . 30352 1 712 . 1 . 1 66 66 ILE HG13 H 1 0.740 0.000 . 2 . . . . A 66 ILE HG13 . 30352 1 713 . 1 . 1 66 66 ILE HG21 H 1 0.628 0.000 . 1 . . . . A 66 ILE HG21 . 30352 1 714 . 1 . 1 66 66 ILE HG22 H 1 0.628 0.000 . 1 . . . . A 66 ILE HG22 . 30352 1 715 . 1 . 1 66 66 ILE HG23 H 1 0.628 0.000 . 1 . . . . A 66 ILE HG23 . 30352 1 716 . 1 . 1 66 66 ILE HD11 H 1 0.056 0.000 . 1 . . . . A 66 ILE HD11 . 30352 1 717 . 1 . 1 66 66 ILE HD12 H 1 0.056 0.000 . 1 . . . . A 66 ILE HD12 . 30352 1 718 . 1 . 1 66 66 ILE HD13 H 1 0.056 0.000 . 1 . . . . A 66 ILE HD13 . 30352 1 719 . 1 . 1 66 66 ILE C C 13 174.776 0.000 . 1 . . . . A 66 ILE C . 30352 1 720 . 1 . 1 66 66 ILE CA C 13 61.651 0.000 . 1 . . . . A 66 ILE CA . 30352 1 721 . 1 . 1 66 66 ILE CB C 13 41.103 0.000 . 1 . . . . A 66 ILE CB . 30352 1 722 . 1 . 1 66 66 ILE CG1 C 13 28.006 0.000 . 1 . . . . A 66 ILE CG1 . 30352 1 723 . 1 . 1 66 66 ILE CG2 C 13 19.719 0.000 . 1 . . . . A 66 ILE CG2 . 30352 1 724 . 1 . 1 66 66 ILE CD1 C 13 12.811 0.001 . 1 . . . . A 66 ILE CD1 . 30352 1 725 . 1 . 1 66 66 ILE N N 15 120.653 0.001 . 1 . . . . A 66 ILE N . 30352 1 726 . 1 . 1 67 67 CYS H H 1 9.205 0.002 . 1 . . . . A 67 CYS H . 30352 1 727 . 1 . 1 67 67 CYS HA H 1 4.966 0.000 . 1 . . . . A 67 CYS HA . 30352 1 728 . 1 . 1 67 67 CYS HB2 H 1 3.036 0.000 . 2 . . . . A 67 CYS HB2 . 30352 1 729 . 1 . 1 67 67 CYS HB3 H 1 3.036 0.000 . 2 . . . . A 67 CYS HB3 . 30352 1 730 . 1 . 1 67 67 CYS C C 13 172.828 0.000 . 1 . . . . A 67 CYS C . 30352 1 731 . 1 . 1 67 67 CYS CA C 13 53.886 0.000 . 1 . . . . A 67 CYS CA . 30352 1 732 . 1 . 1 67 67 CYS CB C 13 45.189 0.035 . 1 . . . . A 67 CYS CB . 30352 1 733 . 1 . 1 67 67 CYS N N 15 122.570 0.001 . 1 . . . . A 67 CYS N . 30352 1 734 . 1 . 1 68 68 ALA H H 1 9.099 0.002 . 1 . . . . A 68 ALA H . 30352 1 735 . 1 . 1 68 68 ALA HA H 1 4.576 0.000 . 1 . . . . A 68 ALA HA . 30352 1 736 . 1 . 1 68 68 ALA HB1 H 1 1.373 0.000 . 1 . . . . A 68 ALA HB1 . 30352 1 737 . 1 . 1 68 68 ALA HB2 H 1 1.373 0.000 . 1 . . . . A 68 ALA HB2 . 30352 1 738 . 1 . 1 68 68 ALA HB3 H 1 1.373 0.000 . 1 . . . . A 68 ALA HB3 . 30352 1 739 . 1 . 1 68 68 ALA C C 13 177.664 0.000 . 1 . . . . A 68 ALA C . 30352 1 740 . 1 . 1 68 68 ALA CA C 13 52.344 0.001 . 1 . . . . A 68 ALA CA . 30352 1 741 . 1 . 1 68 68 ALA CB C 13 18.305 0.000 . 1 . . . . A 68 ALA CB . 30352 1 742 . 1 . 1 68 68 ALA N N 15 126.893 0.000 . 1 . . . . A 68 ALA N . 30352 1 743 . 1 . 1 69 69 VAL H H 1 8.122 0.003 . 1 . . . . A 69 VAL H . 30352 1 744 . 1 . 1 69 69 VAL HA H 1 3.738 0.000 . 1 . . . . A 69 VAL HA . 30352 1 745 . 1 . 1 69 69 VAL HB H 1 1.885 0.000 . 1 . . . . A 69 VAL HB . 30352 1 746 . 1 . 1 69 69 VAL HG21 H 1 0.796 0.000 . 2 . . . . A 69 VAL HG21 . 30352 1 747 . 1 . 1 69 69 VAL HG22 H 1 0.796 0.000 . 2 . . . . A 69 VAL HG22 . 30352 1 748 . 1 . 1 69 69 VAL HG23 H 1 0.796 0.000 . 2 . . . . A 69 VAL HG23 . 30352 1 749 . 1 . 1 69 69 VAL C C 13 177.182 0.000 . 1 . . . . A 69 VAL C . 30352 1 750 . 1 . 1 69 69 VAL CA C 13 64.804 0.000 . 1 . . . . A 69 VAL CA . 30352 1 751 . 1 . 1 69 69 VAL CB C 13 31.909 0.000 . 1 . . . . A 69 VAL CB . 30352 1 752 . 1 . 1 69 69 VAL CG2 C 13 21.244 0.000 . 1 . . . . A 69 VAL CG2 . 30352 1 753 . 1 . 1 69 69 VAL N N 15 123.230 0.010 . 1 . . . . A 69 VAL N . 30352 1 754 . 1 . 1 70 70 GLU H H 1 8.389 0.002 . 1 . . . . A 70 GLU H . 30352 1 755 . 1 . 1 70 70 GLU HA H 1 4.178 0.001 . 1 . . . . A 70 GLU HA . 30352 1 756 . 1 . 1 70 70 GLU HB2 H 1 2.071 0.008 . 2 . . . . A 70 GLU HB2 . 30352 1 757 . 1 . 1 70 70 GLU HB3 H 1 1.889 0.008 . 2 . . . . A 70 GLU HB3 . 30352 1 758 . 1 . 1 70 70 GLU HG2 H 1 2.314 0.000 . 2 . . . . A 70 GLU HG2 . 30352 1 759 . 1 . 1 70 70 GLU HG3 H 1 2.314 0.000 . 2 . . . . A 70 GLU HG3 . 30352 1 760 . 1 . 1 70 70 GLU C C 13 176.032 0.000 . 1 . . . . A 70 GLU C . 30352 1 761 . 1 . 1 70 70 GLU CA C 13 56.534 0.000 . 1 . . . . A 70 GLU CA . 30352 1 762 . 1 . 1 70 70 GLU CB C 13 27.992 0.000 . 1 . . . . A 70 GLU CB . 30352 1 763 . 1 . 1 70 70 GLU CG C 13 33.875 0.000 . 1 . . . . A 70 GLU CG . 30352 1 764 . 1 . 1 70 70 GLU N N 15 117.730 0.005 . 1 . . . . A 70 GLU N . 30352 1 765 . 1 . 1 71 71 SER H H 1 7.819 0.003 . 1 . . . . A 71 SER H . 30352 1 766 . 1 . 1 71 71 SER HA H 1 4.382 0.000 . 1 . . . . A 71 SER HA . 30352 1 767 . 1 . 1 71 71 SER HB2 H 1 3.934 0.002 . 2 . . . . A 71 SER HB2 . 30352 1 768 . 1 . 1 71 71 SER HB3 H 1 3.936 0.000 . 2 . . . . A 71 SER HB3 . 30352 1 769 . 1 . 1 71 71 SER C C 13 175.068 0.000 . 1 . . . . A 71 SER C . 30352 1 770 . 1 . 1 71 71 SER CA C 13 58.279 0.000 . 1 . . . . A 71 SER CA . 30352 1 771 . 1 . 1 71 71 SER CB C 13 64.481 0.001 . 1 . . . . A 71 SER CB . 30352 1 772 . 1 . 1 71 71 SER N N 15 114.469 0.004 . 1 . . . . A 71 SER N . 30352 1 773 . 1 . 1 72 72 SER H H 1 8.407 0.003 . 1 . . . . A 72 SER H . 30352 1 774 . 1 . 1 72 72 SER HA H 1 4.317 0.001 . 1 . . . . A 72 SER HA . 30352 1 775 . 1 . 1 72 72 SER HB2 H 1 3.917 0.001 . 2 . . . . A 72 SER HB2 . 30352 1 776 . 1 . 1 72 72 SER HB3 H 1 3.863 0.001 . 2 . . . . A 72 SER HB3 . 30352 1 777 . 1 . 1 72 72 SER C C 13 174.598 0.000 . 1 . . . . A 72 SER C . 30352 1 778 . 1 . 1 72 72 SER CA C 13 59.500 0.000 . 1 . . . . A 72 SER CA . 30352 1 779 . 1 . 1 72 72 SER CB C 13 63.349 0.000 . 1 . . . . A 72 SER CB . 30352 1 780 . 1 . 1 72 72 SER N N 15 117.731 0.008 . 1 . . . . A 72 SER N . 30352 1 781 . 1 . 1 73 73 MET H H 1 8.027 0.002 . 1 . . . . A 73 MET H . 30352 1 782 . 1 . 1 73 73 MET HA H 1 4.442 0.001 . 1 . . . . A 73 MET HA . 30352 1 783 . 1 . 1 73 73 MET HB2 H 1 2.068 0.000 . 2 . . . . A 73 MET HB2 . 30352 1 784 . 1 . 1 73 73 MET HB3 H 1 1.823 0.000 . 2 . . . . A 73 MET HB3 . 30352 1 785 . 1 . 1 73 73 MET HG2 H 1 2.478 0.000 . 2 . . . . A 73 MET HG2 . 30352 1 786 . 1 . 1 73 73 MET HG3 H 1 2.391 0.000 . 2 . . . . A 73 MET HG3 . 30352 1 787 . 1 . 1 73 73 MET C C 13 174.889 0.000 . 1 . . . . A 73 MET C . 30352 1 788 . 1 . 1 73 73 MET CA C 13 55.280 0.000 . 1 . . . . A 73 MET CA . 30352 1 789 . 1 . 1 73 73 MET CB C 13 32.807 0.003 . 1 . . . . A 73 MET CB . 30352 1 790 . 1 . 1 73 73 MET CG C 13 32.279 0.001 . 1 . . . . A 73 MET CG . 30352 1 791 . 1 . 1 73 73 MET N N 15 119.375 0.017 . 1 . . . . A 73 MET N . 30352 1 792 . 1 . 1 74 74 CYS H H 1 7.725 0.003 . 1 . . . . A 74 CYS H . 30352 1 793 . 1 . 1 74 74 CYS HA H 1 4.394 0.000 . 1 . . . . A 74 CYS HA . 30352 1 794 . 1 . 1 74 74 CYS HB2 H 1 2.910 0.000 . 2 . . . . A 74 CYS HB2 . 30352 1 795 . 1 . 1 74 74 CYS HB3 H 1 2.770 0.000 . 2 . . . . A 74 CYS HB3 . 30352 1 796 . 1 . 1 74 74 CYS CA C 13 56.283 0.000 . 1 . . . . A 74 CYS CA . 30352 1 797 . 1 . 1 74 74 CYS CB C 13 41.324 0.028 . 1 . . . . A 74 CYS CB . 30352 1 798 . 1 . 1 74 74 CYS N N 15 123.155 0.010 . 1 . . . . A 74 CYS N . 30352 1 stop_ save_