################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19916 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 19916 1 2 '3D HN(CA)CO' . . . 19916 1 3 '3D CBCA(CO)NH' . . . 19916 1 4 '3D HN(CO)CA' . . . 19916 1 5 '3D HBHA(CO)NH' . . . 19916 1 6 '3D HNHA' . . . 19916 1 7 '3D HCCH-TOCSY' . . . 19916 1 8 '3D 1H-15N NOESY' . . . 19916 1 9 '3D 1H-13C NOESY' . . . 19916 1 10 '2D 1H-15N HSQC' . . . 19916 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS H H 1 8.631 0.007 . . . . . A 2 LYS H . 19916 1 2 . 1 1 2 2 LYS HA H 1 4.581 0.002 . . . . . A 2 LYS HA . 19916 1 3 . 1 1 2 2 LYS HB2 H 1 1.325 0.005 . . . . . A 2 LYS HB2 . 19916 1 4 . 1 1 2 2 LYS HB3 H 1 1.099 0.001 . . . . . A 2 LYS HB3 . 19916 1 5 . 1 1 2 2 LYS HG3 H 1 1.093 0.005 . . . . . A 2 LYS HG3 . 19916 1 6 . 1 1 2 2 LYS HD2 H 1 2.372 0.006 . . . . . A 2 LYS HD2 . 19916 1 7 . 1 1 2 2 LYS HD3 H 1 2.239 0.003 . . . . . A 2 LYS HD3 . 19916 1 8 . 1 1 2 2 LYS CA C 13 53.431 0.057 . . . . . A 2 LYS CA . 19916 1 9 . 1 1 2 2 LYS CB C 13 33.967 0.059 . . . . . A 2 LYS CB . 19916 1 10 . 1 1 2 2 LYS CD C 13 31.444 0.052 . . . . . A 2 LYS CD . 19916 1 11 . 1 1 2 2 LYS N N 15 123.113 0.122 . . . . . A 2 LYS N . 19916 1 12 . 1 1 3 3 LYS H H 1 7.628 0.005 . . . . . A 3 LYS H . 19916 1 13 . 1 1 3 3 LYS HA H 1 5.439 0.005 . . . . . A 3 LYS HA . 19916 1 14 . 1 1 3 3 LYS HB2 H 1 1.402 0.003 . . . . . A 3 LYS HB2 . 19916 1 15 . 1 1 3 3 LYS HG2 H 1 1.510 0.000 . . . . . A 3 LYS HG2 . 19916 1 16 . 1 1 3 3 LYS HG3 H 1 1.088 0.011 . . . . . A 3 LYS HG3 . 19916 1 17 . 1 1 3 3 LYS HD2 H 1 1.669 0.015 . . . . . A 3 LYS HD2 . 19916 1 18 . 1 1 3 3 LYS HD3 H 1 1.724 0.000 . . . . . A 3 LYS HD3 . 19916 1 19 . 1 1 3 3 LYS CA C 13 59.908 0.013 . . . . . A 3 LYS CA . 19916 1 20 . 1 1 3 3 LYS CB C 13 31.588 0.096 . . . . . A 3 LYS CB . 19916 1 21 . 1 1 3 3 LYS CG C 13 21.609 0.041 . . . . . A 3 LYS CG . 19916 1 22 . 1 1 3 3 LYS N N 15 107.836 0.022 . . . . . A 3 LYS N . 19916 1 23 . 1 1 4 4 GLY H H 1 8.906 0.008 . . . . . A 4 GLY H . 19916 1 24 . 1 1 4 4 GLY HA2 H 1 4.549 0.001 . . . . . A 4 GLY HA2 . 19916 1 25 . 1 1 4 4 GLY HA3 H 1 3.963 0.004 . . . . . A 4 GLY HA3 . 19916 1 26 . 1 1 4 4 GLY CA C 13 46.333 0.106 . . . . . A 4 GLY CA . 19916 1 27 . 1 1 4 4 GLY N N 15 108.617 0.038 . . . . . A 4 GLY N . 19916 1 28 . 1 1 5 5 THR H H 1 8.174 0.008 . . . . . A 5 THR H . 19916 1 29 . 1 1 5 5 THR HA H 1 5.071 0.009 . . . . . A 5 THR HA . 19916 1 30 . 1 1 5 5 THR HB H 1 4.636 0.008 . . . . . A 5 THR HB . 19916 1 31 . 1 1 5 5 THR HG21 H 1 1.098 0.003 . . . . . A 5 THR HG1 . 19916 1 32 . 1 1 5 5 THR HG22 H 1 1.098 0.003 . . . . . A 5 THR HG1 . 19916 1 33 . 1 1 5 5 THR HG23 H 1 1.098 0.003 . . . . . A 5 THR HG1 . 19916 1 34 . 1 1 5 5 THR CA C 13 58.661 0.071 . . . . . A 5 THR CA . 19916 1 35 . 1 1 5 5 THR CB C 13 71.890 0.033 . . . . . A 5 THR CB . 19916 1 36 . 1 1 5 5 THR CG2 C 13 27.476 0.059 . . . . . A 5 THR CG2 . 19916 1 37 . 1 1 5 5 THR N N 15 119.761 0.026 . . . . . A 5 THR N . 19916 1 38 . 1 1 6 6 VAL H H 1 8.852 0.004 . . . . . A 6 VAL H . 19916 1 39 . 1 1 6 6 VAL HA H 1 3.528 0.008 . . . . . A 6 VAL HA . 19916 1 40 . 1 1 6 6 VAL HB H 1 2.368 0.004 . . . . . A 6 VAL HB . 19916 1 41 . 1 1 6 6 VAL HG21 H 1 0.820 0.001 . . . . . A 6 VAL HG21 . 19916 1 42 . 1 1 6 6 VAL HG22 H 1 0.820 0.001 . . . . . A 6 VAL HG22 . 19916 1 43 . 1 1 6 6 VAL HG23 H 1 0.461 0.003 . . . . . A 6 VAL HG23 . 19916 1 44 . 1 1 6 6 VAL CA C 13 64.982 0.034 . . . . . A 6 VAL CA . 19916 1 45 . 1 1 6 6 VAL CB C 13 31.519 0.029 . . . . . A 6 VAL CB . 19916 1 46 . 1 1 6 6 VAL CG1 C 13 24.355 0.028 . . . . . A 6 VAL CG1 . 19916 1 47 . 1 1 6 6 VAL CG2 C 13 21.107 0.026 . . . . . A 6 VAL CG2 . 19916 1 48 . 1 1 6 6 VAL N N 15 126.750 0.037 . . . . . A 6 VAL N . 19916 1 49 . 1 1 7 7 LYS H H 1 9.168 0.005 . . . . . A 7 LYS H . 19916 1 50 . 1 1 7 7 LYS HA H 1 4.165 0.012 . . . . . A 7 LYS HA . 19916 1 51 . 1 1 7 7 LYS HB2 H 1 2.071 0.012 . . . . . A 7 LYS HB2 . 19916 1 52 . 1 1 7 7 LYS HB3 H 1 1.582 0.012 . . . . . A 7 LYS HB3 . 19916 1 53 . 1 1 7 7 LYS HG2 H 1 1.579 0.012 . . . . . A 7 LYS HG2 . 19916 1 54 . 1 1 7 7 LYS HG3 H 1 1.579 0.012 . . . . . A 7 LYS HG3 . 19916 1 55 . 1 1 7 7 LYS HD2 H 1 1.758 0.025 . . . . . A 7 LYS HD2 . 19916 1 56 . 1 1 7 7 LYS HD3 H 1 1.758 0.025 . . . . . A 7 LYS HD3 . 19916 1 57 . 1 1 7 7 LYS HE2 H 1 3.124 0.006 . . . . . A 7 LYS HE2 . 19916 1 58 . 1 1 7 7 LYS HE3 H 1 3.124 0.006 . . . . . A 7 LYS HE3 . 19916 1 59 . 1 1 7 7 LYS CA C 13 58.873 0.067 . . . . . A 7 LYS CA . 19916 1 60 . 1 1 7 7 LYS CB C 13 34.175 0.072 . . . . . A 7 LYS CB . 19916 1 61 . 1 1 7 7 LYS CG C 13 25.149 0.037 . . . . . A 7 LYS CG . 19916 1 62 . 1 1 7 7 LYS CD C 13 29.913 0.024 . . . . . A 7 LYS CD . 19916 1 63 . 1 1 7 7 LYS CE C 13 42.186 0.064 . . . . . A 7 LYS CE . 19916 1 64 . 1 1 7 7 LYS N N 15 105.153 0.668 . . . . . A 7 LYS N . 19916 1 65 . 1 1 8 8 TRP H H 1 7.407 0.009 . . . . . A 8 TRP H . 19916 1 66 . 1 1 8 8 TRP HA H 1 4.581 0.002 . . . . . A 8 TRP HA . 19916 1 67 . 1 1 8 8 TRP HB2 H 1 3.525 0.006 . . . . . A 8 TRP HB2 . 19916 1 68 . 1 1 8 8 TRP HB3 H 1 3.278 0.003 . . . . . A 8 TRP HB3 . 19916 1 69 . 1 1 8 8 TRP HD1 H 1 7.122 0.005 . . . . . A 8 TRP HD1 . 19916 1 70 . 1 1 8 8 TRP HE1 H 1 9.734 0.002 . . . . . A 8 TRP HE1 . 19916 1 71 . 1 1 8 8 TRP HE3 H 1 6.851 0.005 . . . . . A 8 TRP HE3 . 19916 1 72 . 1 1 8 8 TRP CA C 13 55.935 0.104 . . . . . A 8 TRP CA . 19916 1 73 . 1 1 8 8 TRP CB C 13 30.650 0.071 . . . . . A 8 TRP CB . 19916 1 74 . 1 1 8 8 TRP N N 15 110.143 0.026 . . . . . A 8 TRP N . 19916 1 75 . 1 1 8 8 TRP NE1 N 15 127.681 0.023 . . . . . A 8 TRP NE1 . 19916 1 76 . 1 1 9 9 PHE H H 1 9.258 0.004 . . . . . A 9 PHE H . 19916 1 77 . 1 1 9 9 PHE HA H 1 4.145 0.010 . . . . . A 9 PHE HA . 19916 1 78 . 1 1 9 9 PHE HB2 H 1 2.842 0.006 . . . . . A 9 PHE HB2 . 19916 1 79 . 1 1 9 9 PHE HB3 H 1 2.335 0.003 . . . . . A 9 PHE HB3 . 19916 1 80 . 1 1 9 9 PHE HD1 H 1 6.696 0.005 . . . . . A 9 PHE HD1 . 19916 1 81 . 1 1 9 9 PHE HD2 H 1 6.696 0.005 . . . . . A 9 PHE HD2 . 19916 1 82 . 1 1 9 9 PHE CA C 13 59.379 0.032 . . . . . A 9 PHE CA . 19916 1 83 . 1 1 9 9 PHE CB C 13 42.214 0.052 . . . . . A 9 PHE CB . 19916 1 84 . 1 1 9 9 PHE N N 15 120.125 0.027 . . . . . A 9 PHE N . 19916 1 85 . 1 1 10 10 ASN H H 1 8.230 0.012 . . . . . A 10 ASN H . 19916 1 86 . 1 1 10 10 ASN HA H 1 4.942 0.008 . . . . . A 10 ASN HA . 19916 1 87 . 1 1 10 10 ASN HB2 H 1 2.661 0.019 . . . . . A 10 ASN HB2 . 19916 1 88 . 1 1 10 10 ASN HB3 H 1 2.573 0.005 . . . . . A 10 ASN HB3 . 19916 1 89 . 1 1 10 10 ASN HD21 H 1 7.703 0.002 . . . . . A 10 ASN HD21 . 19916 1 90 . 1 1 10 10 ASN HD22 H 1 7.361 0.003 . . . . . A 10 ASN HD22 . 19916 1 91 . 1 1 10 10 ASN CA C 13 51.906 0.046 . . . . . A 10 ASN CA . 19916 1 92 . 1 1 10 10 ASN CB C 13 39.100 0.021 . . . . . A 10 ASN CB . 19916 1 93 . 1 1 10 10 ASN N N 15 127.516 0.021 . . . . . A 10 ASN N . 19916 1 94 . 1 1 10 10 ASN ND2 N 15 112.872 0.041 . . . . . A 10 ASN ND2 . 19916 1 95 . 1 1 11 11 ALA H H 1 9.091 0.001 . . . . . A 11 ALA H . 19916 1 96 . 1 1 11 11 ALA HA H 1 4.233 0.006 . . . . . A 11 ALA HA . 19916 1 97 . 1 1 11 11 ALA HB1 H 1 1.598 0.007 . . . . . A 11 ALA HB1 . 19916 1 98 . 1 1 11 11 ALA HB2 H 1 1.598 0.007 . . . . . A 11 ALA HB2 . 19916 1 99 . 1 1 11 11 ALA HB3 H 1 1.598 0.007 . . . . . A 11 ALA HB3 . 19916 1 100 . 1 1 11 11 ALA CA C 13 54.086 0.059 . . . . . A 11 ALA CA . 19916 1 101 . 1 1 11 11 ALA CB C 13 18.747 0.055 . . . . . A 11 ALA CB . 19916 1 102 . 1 1 11 11 ALA N N 15 129.268 0.039 . . . . . A 11 ALA N . 19916 1 103 . 1 1 12 12 GLU H H 1 7.987 0.004 . . . . . A 12 GLU H . 19916 1 104 . 1 1 12 12 GLU HA H 1 4.476 0.004 . . . . . A 12 GLU HA . 19916 1 105 . 1 1 12 12 GLU HB2 H 1 2.824 0.006 . . . . . A 12 GLU HB2 . 19916 1 106 . 1 1 12 12 GLU HB3 H 1 2.648 0.003 . . . . . A 12 GLU HB3 . 19916 1 107 . 1 1 12 12 GLU CA C 13 56.706 0.095 . . . . . A 12 GLU CA . 19916 1 108 . 1 1 12 12 GLU CB C 13 30.691 0.047 . . . . . A 12 GLU CB . 19916 1 109 . 1 1 12 12 GLU N N 15 116.380 0.031 . . . . . A 12 GLU N . 19916 1 110 . 1 1 13 13 LYS H H 1 7.309 0.012 . . . . . A 13 LYS H . 19916 1 111 . 1 1 13 13 LYS HA H 1 4.274 0.009 . . . . . A 13 LYS HA . 19916 1 112 . 1 1 13 13 LYS HB2 H 1 1.923 0.005 . . . . . A 13 LYS HB2 . 19916 1 113 . 1 1 13 13 LYS HB3 H 1 1.143 0.008 . . . . . A 13 LYS HB3 . 19916 1 114 . 1 1 13 13 LYS HG2 H 1 1.394 0.009 . . . . . A 13 LYS HG2 . 19916 1 115 . 1 1 13 13 LYS HG3 H 1 1.324 0.017 . . . . . A 13 LYS HG3 . 19916 1 116 . 1 1 13 13 LYS HD2 H 1 1.622 0.029 . . . . . A 13 LYS HD2 . 19916 1 117 . 1 1 13 13 LYS HD3 H 1 1.622 0.029 . . . . . A 13 LYS HD3 . 19916 1 118 . 1 1 13 13 LYS HE2 H 1 3.062 0.032 . . . . . A 13 LYS HE2 . 19916 1 119 . 1 1 13 13 LYS HE3 H 1 3.062 0.032 . . . . . A 13 LYS HE3 . 19916 1 120 . 1 1 13 13 LYS CA C 13 56.386 0.096 . . . . . A 13 LYS CA . 19916 1 121 . 1 1 13 13 LYS CB C 13 34.559 0.034 . . . . . A 13 LYS CB . 19916 1 122 . 1 1 13 13 LYS CG C 13 25.652 0.063 . . . . . A 13 LYS CG . 19916 1 123 . 1 1 13 13 LYS CD C 13 29.374 0.084 . . . . . A 13 LYS CD . 19916 1 124 . 1 1 13 13 LYS CE C 13 42.191 0.081 . . . . . A 13 LYS CE . 19916 1 125 . 1 1 13 13 LYS N N 15 114.392 0.021 . . . . . A 13 LYS N . 19916 1 126 . 1 1 14 14 GLY H H 1 8.278 0.004 . . . . . A 14 GLY H . 19916 1 127 . 1 1 14 14 GLY HA2 H 1 4.108 0.005 . . . . . A 14 GLY HA2 . 19916 1 128 . 1 1 14 14 GLY HA3 H 1 3.787 0.004 . . . . . A 14 GLY HA3 . 19916 1 129 . 1 1 14 14 GLY CA C 13 46.658 0.041 . . . . . A 14 GLY CA . 19916 1 130 . 1 1 14 14 GLY N N 15 105.948 0.020 . . . . . A 14 GLY N . 19916 1 131 . 1 1 15 15 TYR H H 1 6.569 0.003 . . . . . A 15 TYR H . 19916 1 132 . 1 1 15 15 TYR HA H 1 4.934 0.006 . . . . . A 15 TYR HA . 19916 1 133 . 1 1 15 15 TYR HB2 H 1 2.888 0.003 . . . . . A 15 TYR HB2 . 19916 1 134 . 1 1 15 15 TYR HB3 H 1 2.854 0.005 . . . . . A 15 TYR HB3 . 19916 1 135 . 1 1 15 15 TYR HD1 H 1 7.041 0.031 . . . . . A 15 TYR HD1 . 19916 1 136 . 1 1 15 15 TYR HD2 H 1 7.041 0.031 . . . . . A 15 TYR HD2 . 19916 1 137 . 1 1 15 15 TYR HE1 H 1 6.900 0.011 . . . . . A 15 TYR HE1 . 19916 1 138 . 1 1 15 15 TYR HE2 H 1 6.900 0.011 . . . . . A 15 TYR HE2 . 19916 1 139 . 1 1 15 15 TYR CA C 13 55.327 0.029 . . . . . A 15 TYR CA . 19916 1 140 . 1 1 15 15 TYR CB C 13 42.372 0.024 . . . . . A 15 TYR CB . 19916 1 141 . 1 1 15 15 TYR N N 15 111.785 0.018 . . . . . A 15 TYR N . 19916 1 142 . 1 1 16 16 GLY H H 1 7.830 0.006 . . . . . A 16 GLY H . 19916 1 143 . 1 1 16 16 GLY HA2 H 1 3.672 0.007 . . . . . A 16 GLY HA2 . 19916 1 144 . 1 1 16 16 GLY HA3 H 1 2.329 0.006 . . . . . A 16 GLY HA3 . 19916 1 145 . 1 1 16 16 GLY CA C 13 44.883 0.043 . . . . . A 16 GLY CA . 19916 1 146 . 1 1 16 16 GLY N N 15 105.418 0.029 . . . . . A 16 GLY N . 19916 1 147 . 1 1 17 17 PHE H H 1 7.454 0.004 . . . . . A 17 PHE H . 19916 1 148 . 1 1 17 17 PHE HA H 1 5.035 0.006 . . . . . A 17 PHE HA . 19916 1 149 . 1 1 17 17 PHE HB2 H 1 2.499 0.004 . . . . . A 17 PHE HB2 . 19916 1 150 . 1 1 17 17 PHE HB3 H 1 2.100 0.005 . . . . . A 17 PHE HB3 . 19916 1 151 . 1 1 17 17 PHE HD1 H 1 6.598 0.004 . . . . . A 17 PHE HD1 . 19916 1 152 . 1 1 17 17 PHE HD2 H 1 6.598 0.004 . . . . . A 17 PHE HD2 . 19916 1 153 . 1 1 17 17 PHE CA C 13 56.843 0.041 . . . . . A 17 PHE CA . 19916 1 154 . 1 1 17 17 PHE CB C 13 45.454 0.152 . . . . . A 17 PHE CB . 19916 1 155 . 1 1 17 17 PHE N N 15 114.432 0.064 . . . . . A 17 PHE N . 19916 1 156 . 1 1 18 18 ILE H H 1 9.396 0.009 . . . . . A 18 ILE H . 19916 1 157 . 1 1 18 18 ILE HA H 1 4.129 0.007 . . . . . A 18 ILE HA . 19916 1 158 . 1 1 18 18 ILE HB H 1 0.907 0.013 . . . . . A 18 ILE HB . 19916 1 159 . 1 1 18 18 ILE HG12 H 1 1.118 0.006 . . . . . A 18 ILE HG12 . 19916 1 160 . 1 1 18 18 ILE HG13 H 1 0.250 0.009 . . . . . A 18 ILE HG13 . 19916 1 161 . 1 1 18 18 ILE HG21 H 1 0.099 0.004 . . . . . A 18 ILE HG21 . 19916 1 162 . 1 1 18 18 ILE HG22 H 1 0.099 0.004 . . . . . A 18 ILE HG22 . 19916 1 163 . 1 1 18 18 ILE HG23 H 1 0.099 0.004 . . . . . A 18 ILE HG23 . 19916 1 164 . 1 1 18 18 ILE HD11 H 1 -0.202 0.003 . . . . . A 18 ILE HD11 . 19916 1 165 . 1 1 18 18 ILE HD12 H 1 -0.202 0.003 . . . . . A 18 ILE HD12 . 19916 1 166 . 1 1 18 18 ILE HD13 H 1 -0.202 0.003 . . . . . A 18 ILE HD13 . 19916 1 167 . 1 1 18 18 ILE CA C 13 59.659 0.051 . . . . . A 18 ILE CA . 19916 1 168 . 1 1 18 18 ILE CB C 13 42.158 0.021 . . . . . A 18 ILE CB . 19916 1 169 . 1 1 18 18 ILE CG1 C 13 27.773 0.029 . . . . . A 18 ILE CG1 . 19916 1 170 . 1 1 18 18 ILE CG2 C 13 18.022 0.029 . . . . . A 18 ILE CG2 . 19916 1 171 . 1 1 18 18 ILE CD1 C 13 13.601 0.051 . . . . . A 18 ILE CD1 . 19916 1 172 . 1 1 18 18 ILE N N 15 121.518 0.014 . . . . . A 18 ILE N . 19916 1 173 . 1 1 19 19 GLN H H 1 9.361 0.002 . . . . . A 19 GLN H . 19916 1 174 . 1 1 19 19 GLN HA H 1 4.167 0.012 . . . . . A 19 GLN HA . 19916 1 175 . 1 1 19 19 GLN HB2 H 1 1.586 0.000 . . . . . A 19 GLN HB2 . 19916 1 176 . 1 1 19 19 GLN HB3 H 1 1.374 0.000 . . . . . A 19 GLN HB3 . 19916 1 177 . 1 1 19 19 GLN HG2 H 1 2.059 0.000 . . . . . A 19 GLN HG2 . 19916 1 178 . 1 1 19 19 GLN HG3 H 1 2.059 0.000 . . . . . A 19 GLN HG3 . 19916 1 179 . 1 1 19 19 GLN HE21 H 1 7.574 0.003 . . . . . A 19 GLN HE21 . 19916 1 180 . 1 1 19 19 GLN HE22 H 1 6.856 0.004 . . . . . A 19 GLN HE22 . 19916 1 181 . 1 1 19 19 GLN CA C 13 59.693 0.000 . . . . . A 19 GLN CA . 19916 1 182 . 1 1 19 19 GLN CB C 13 30.170 0.000 . . . . . A 19 GLN CB . 19916 1 183 . 1 1 19 19 GLN N N 15 126.502 0.016 . . . . . A 19 GLN N . 19916 1 184 . 1 1 19 19 GLN NE2 N 15 115.361 0.039 . . . . . A 19 GLN NE2 . 19916 1 185 . 1 1 20 20 GLN HA H 1 4.717 0.000 . . . . . A 20 GLN HA . 19916 1 186 . 1 1 20 20 GLN HB2 H 1 2.085 0.010 . . . . . A 20 GLN HB2 . 19916 1 187 . 1 1 20 20 GLN HB3 H 1 1.903 0.000 . . . . . A 20 GLN HB3 . 19916 1 188 . 1 1 20 20 GLN HG2 H 1 2.247 0.000 . . . . . A 20 GLN HG2 . 19916 1 189 . 1 1 20 20 GLN HG3 H 1 2.247 0.000 . . . . . A 20 GLN HG3 . 19916 1 190 . 1 1 20 20 GLN HE21 H 1 7.130 0.000 . . . . . A 20 GLN HE21 . 19916 1 191 . 1 1 20 20 GLN HE22 H 1 6.870 0.000 . . . . . A 20 GLN HE22 . 19916 1 192 . 1 1 20 20 GLN NE2 N 15 113.611 0.001 . . . . . A 20 GLN NE2 . 19916 1 193 . 1 1 21 21 GLU H H 1 9.160 0.002 . . . . . A 21 GLU H . 19916 1 194 . 1 1 21 21 GLU HA H 1 4.630 0.001 . . . . . A 21 GLU HA . 19916 1 195 . 1 1 21 21 GLU HB2 H 1 2.355 0.000 . . . . . A 21 GLU HB2 . 19916 1 196 . 1 1 21 21 GLU HB3 H 1 2.481 0.010 . . . . . A 21 GLU HB3 . 19916 1 197 . 1 1 21 21 GLU HG2 H 1 2.744 0.007 . . . . . A 21 GLU HG2 . 19916 1 198 . 1 1 21 21 GLU HG3 H 1 2.744 0.007 . . . . . A 21 GLU HG3 . 19916 1 199 . 1 1 21 21 GLU CA C 13 56.686 0.066 . . . . . A 21 GLU CA . 19916 1 200 . 1 1 21 21 GLU CB C 13 30.680 0.028 . . . . . A 21 GLU CB . 19916 1 201 . 1 1 21 21 GLU N N 15 122.894 0.048 . . . . . A 21 GLU N . 19916 1 202 . 1 1 22 22 GLU H H 1 7.926 0.004 . . . . . A 22 GLU H . 19916 1 203 . 1 1 22 22 GLU HA H 1 4.543 0.003 . . . . . A 22 GLU HA . 19916 1 204 . 1 1 22 22 GLU HB2 H 1 2.360 0.001 . . . . . A 22 GLU HB2 . 19916 1 205 . 1 1 22 22 GLU HB3 H 1 2.254 0.000 . . . . . A 22 GLU HB3 . 19916 1 206 . 1 1 22 22 GLU HG2 H 1 3.088 0.006 . . . . . A 22 GLU HG2 . 19916 1 207 . 1 1 22 22 GLU HG3 H 1 2.630 0.006 . . . . . A 22 GLU HG3 . 19916 1 208 . 1 1 22 22 GLU CA C 13 53.828 0.078 . . . . . A 22 GLU CA . 19916 1 209 . 1 1 22 22 GLU CG C 13 40.613 0.129 . . . . . A 22 GLU CG . 19916 1 210 . 1 1 22 22 GLU N N 15 117.061 0.010 . . . . . A 22 GLU N . 19916 1 211 . 1 1 23 23 GLY H H 1 7.729 0.004 . . . . . A 23 GLY H . 19916 1 212 . 1 1 23 23 GLY HA2 H 1 4.166 0.004 . . . . . A 23 GLY HA2 . 19916 1 213 . 1 1 23 23 GLY HA3 H 1 3.914 0.002 . . . . . A 23 GLY HA3 . 19916 1 214 . 1 1 23 23 GLY CA C 13 45.988 0.067 . . . . . A 23 GLY CA . 19916 1 215 . 1 1 23 23 GLY N N 15 107.682 0.037 . . . . . A 23 GLY N . 19916 1 216 . 1 1 24 24 PRO HA H 1 4.137 0.007 . . . . . A 24 PRO HA . 19916 1 217 . 1 1 24 24 PRO HB2 H 1 1.912 0.003 . . . . . A 24 PRO HB2 . 19916 1 218 . 1 1 24 24 PRO HB3 H 1 1.912 0.003 . . . . . A 24 PRO HB3 . 19916 1 219 . 1 1 24 24 PRO HG2 H 1 1.672 0.009 . . . . . A 24 PRO HG2 . 19916 1 220 . 1 1 24 24 PRO HG3 H 1 1.634 0.005 . . . . . A 24 PRO HG3 . 19916 1 221 . 1 1 24 24 PRO HD2 H 1 3.524 0.012 . . . . . A 24 PRO HD2 . 19916 1 222 . 1 1 24 24 PRO HD3 H 1 3.883 0.000 . . . . . A 24 PRO HD3 . 19916 1 223 . 1 1 24 24 PRO CA C 13 57.122 0.032 . . . . . A 24 PRO CA . 19916 1 224 . 1 1 24 24 PRO CB C 13 33.407 0.034 . . . . . A 24 PRO CB . 19916 1 225 . 1 1 24 24 PRO CG C 13 24.383 0.030 . . . . . A 24 PRO CG . 19916 1 226 . 1 1 25 25 ASP H H 1 8.072 0.003 . . . . . A 25 ASP H . 19916 1 227 . 1 1 25 25 ASP HA H 1 4.790 0.011 . . . . . A 25 ASP HA . 19916 1 228 . 1 1 25 25 ASP HB2 H 1 2.502 0.004 . . . . . A 25 ASP HB2 . 19916 1 229 . 1 1 25 25 ASP HB3 H 1 2.502 0.004 . . . . . A 25 ASP HB3 . 19916 1 230 . 1 1 25 25 ASP CA C 13 55.450 0.047 . . . . . A 25 ASP CA . 19916 1 231 . 1 1 25 25 ASP CB C 13 41.367 0.061 . . . . . A 25 ASP CB . 19916 1 232 . 1 1 25 25 ASP N N 15 118.596 0.025 . . . . . A 25 ASP N . 19916 1 233 . 1 1 26 26 VAL H H 1 9.284 0.003 . . . . . A 26 VAL H . 19916 1 234 . 1 1 26 26 VAL HA H 1 4.301 0.003 . . . . . A 26 VAL HA . 19916 1 235 . 1 1 26 26 VAL HB H 1 1.551 0.004 . . . . . A 26 VAL HB . 19916 1 236 . 1 1 26 26 VAL HG21 H 1 1.028 0.003 . . . . . A 26 VAL HG21 . 19916 1 237 . 1 1 26 26 VAL HG22 H 1 1.028 0.003 . . . . . A 26 VAL HG22 . 19916 1 238 . 1 1 26 26 VAL HG23 H 1 0.745 0.004 . . . . . A 26 VAL HG23 . 19916 1 239 . 1 1 26 26 VAL CA C 13 60.962 0.043 . . . . . A 26 VAL CA . 19916 1 240 . 1 1 26 26 VAL CB C 13 34.708 0.046 . . . . . A 26 VAL CB . 19916 1 241 . 1 1 26 26 VAL CG1 C 13 21.884 0.103 . . . . . A 26 VAL CG1 . 19916 1 242 . 1 1 26 26 VAL N N 15 120.823 0.030 . . . . . A 26 VAL N . 19916 1 243 . 1 1 27 27 PHE H H 1 8.424 0.002 . . . . . A 27 PHE H . 19916 1 244 . 1 1 27 27 PHE HA H 1 3.414 0.004 . . . . . A 27 PHE HA . 19916 1 245 . 1 1 27 27 PHE HB2 H 1 2.809 0.006 . . . . . A 27 PHE HB2 . 19916 1 246 . 1 1 27 27 PHE HB3 H 1 2.561 0.005 . . . . . A 27 PHE HB3 . 19916 1 247 . 1 1 27 27 PHE HD1 H 1 6.492 0.005 . . . . . A 27 PHE HD1 . 19916 1 248 . 1 1 27 27 PHE HD2 H 1 6.492 0.005 . . . . . A 27 PHE HD2 . 19916 1 249 . 1 1 27 27 PHE CA C 13 58.799 0.057 . . . . . A 27 PHE CA . 19916 1 250 . 1 1 27 27 PHE CB C 13 40.113 0.081 . . . . . A 27 PHE CB . 19916 1 251 . 1 1 27 27 PHE N N 15 130.612 0.014 . . . . . A 27 PHE N . 19916 1 252 . 1 1 28 28 VAL H H 1 7.451 0.003 . . . . . A 28 VAL H . 19916 1 253 . 1 1 28 28 VAL HA H 1 4.363 0.005 . . . . . A 28 VAL HA . 19916 1 254 . 1 1 28 28 VAL HB H 1 1.308 0.005 . . . . . A 28 VAL HB . 19916 1 255 . 1 1 28 28 VAL HG21 H 1 0.454 0.005 . . . . . A 28 VAL HG21 . 19916 1 256 . 1 1 28 28 VAL HG22 H 1 0.454 0.005 . . . . . A 28 VAL HG22 . 19916 1 257 . 1 1 28 28 VAL HG23 H 1 0.300 0.002 . . . . . A 28 VAL HG23 . 19916 1 258 . 1 1 28 28 VAL CA C 13 57.827 0.039 . . . . . A 28 VAL CA . 19916 1 259 . 1 1 28 28 VAL CB C 13 34.377 0.063 . . . . . A 28 VAL CB . 19916 1 260 . 1 1 28 28 VAL CG1 C 13 22.650 0.044 . . . . . A 28 VAL CG1 . 19916 1 261 . 1 1 28 28 VAL CG2 C 13 17.970 0.037 . . . . . A 28 VAL CG2 . 19916 1 262 . 1 1 28 28 VAL N N 15 124.051 0.029 . . . . . A 28 VAL N . 19916 1 263 . 1 1 29 29 HIS H H 1 8.538 0.010 . . . . . A 29 HIS H . 19916 1 264 . 1 1 29 29 HIS HA H 1 4.588 0.005 . . . . . A 29 HIS HA . 19916 1 265 . 1 1 29 29 HIS HB2 H 1 3.087 0.006 . . . . . A 29 HIS HB2 . 19916 1 266 . 1 1 29 29 HIS HB3 H 1 2.620 0.006 . . . . . A 29 HIS HB3 . 19916 1 267 . 1 1 29 29 HIS HD2 H 1 6.886 0.001 . . . . . A 29 HIS HD2 . 19916 1 268 . 1 1 29 29 HIS CA C 13 55.827 0.092 . . . . . A 29 HIS CA . 19916 1 269 . 1 1 29 29 HIS CB C 13 33.640 0.057 . . . . . A 29 HIS CB . 19916 1 270 . 1 1 29 29 HIS N N 15 127.054 0.029 . . . . . A 29 HIS N . 19916 1 271 . 1 1 30 30 PHE H H 1 8.075 0.002 . . . . . A 30 PHE H . 19916 1 272 . 1 1 30 30 PHE HA H 1 3.918 0.003 . . . . . A 30 PHE HA . 19916 1 273 . 1 1 30 30 PHE HB2 H 1 3.088 0.004 . . . . . A 30 PHE HB2 . 19916 1 274 . 1 1 30 30 PHE HB3 H 1 2.755 0.003 . . . . . A 30 PHE HB3 . 19916 1 275 . 1 1 30 30 PHE HD1 H 1 6.918 0.015 . . . . . A 30 PHE HD1 . 19916 1 276 . 1 1 30 30 PHE HD2 H 1 6.918 0.015 . . . . . A 30 PHE HD2 . 19916 1 277 . 1 1 30 30 PHE CA C 13 59.878 0.050 . . . . . A 30 PHE CA . 19916 1 278 . 1 1 30 30 PHE CB C 13 36.370 0.055 . . . . . A 30 PHE CB . 19916 1 279 . 1 1 30 30 PHE N N 15 122.786 0.044 . . . . . A 30 PHE N . 19916 1 280 . 1 1 31 31 THR H H 1 6.996 0.021 . . . . . A 31 THR H . 19916 1 281 . 1 1 31 31 THR HA H 1 3.654 0.004 . . . . . A 31 THR HA . 19916 1 282 . 1 1 31 31 THR HB H 1 3.341 0.010 . . . . . A 31 THR HB . 19916 1 283 . 1 1 31 31 THR CA C 13 60.134 0.107 . . . . . A 31 THR CA . 19916 1 284 . 1 1 31 31 THR CB C 13 62.685 0.036 . . . . . A 31 THR CB . 19916 1 285 . 1 1 31 31 THR CG2 C 13 23.699 0.000 . . . . . A 31 THR CG2 . 19916 1 286 . 1 1 31 31 THR N N 15 116.432 0.040 . . . . . A 31 THR N . 19916 1 287 . 1 1 32 32 ALA H H 1 7.955 0.002 . . . . . A 32 ALA H . 19916 1 288 . 1 1 32 32 ALA HA H 1 4.393 0.005 . . . . . A 32 ALA HA . 19916 1 289 . 1 1 32 32 ALA HB1 H 1 1.537 0.004 . . . . . A 32 ALA HB1 . 19916 1 290 . 1 1 32 32 ALA HB2 H 1 1.537 0.004 . . . . . A 32 ALA HB2 . 19916 1 291 . 1 1 32 32 ALA HB3 H 1 1.537 0.004 . . . . . A 32 ALA HB3 . 19916 1 292 . 1 1 32 32 ALA CA C 13 52.621 0.043 . . . . . A 32 ALA CA . 19916 1 293 . 1 1 32 32 ALA CB C 13 21.069 0.040 . . . . . A 32 ALA CB . 19916 1 294 . 1 1 32 32 ALA N N 15 124.577 0.025 . . . . . A 32 ALA N . 19916 1 295 . 1 1 33 33 ILE H H 1 7.660 0.008 . . . . . A 33 ILE H . 19916 1 296 . 1 1 33 33 ILE HA H 1 3.885 0.009 . . . . . A 33 ILE HA . 19916 1 297 . 1 1 33 33 ILE HB H 1 1.876 0.006 . . . . . A 33 ILE HB . 19916 1 298 . 1 1 33 33 ILE HG12 H 1 1.485 0.005 . . . . . A 33 ILE HG12 . 19916 1 299 . 1 1 33 33 ILE HG13 H 1 0.295 0.005 . . . . . A 33 ILE HG13 . 19916 1 300 . 1 1 33 33 ILE HG21 H 1 0.735 0.004 . . . . . A 33 ILE HG21 . 19916 1 301 . 1 1 33 33 ILE HG22 H 1 0.735 0.004 . . . . . A 33 ILE HG22 . 19916 1 302 . 1 1 33 33 ILE HG23 H 1 0.735 0.004 . . . . . A 33 ILE HG23 . 19916 1 303 . 1 1 33 33 ILE HD11 H 1 0.320 0.004 . . . . . A 33 ILE HD11 . 19916 1 304 . 1 1 33 33 ILE HD12 H 1 0.320 0.004 . . . . . A 33 ILE HD12 . 19916 1 305 . 1 1 33 33 ILE HD13 H 1 0.320 0.004 . . . . . A 33 ILE HD13 . 19916 1 306 . 1 1 33 33 ILE CA C 13 62.796 0.035 . . . . . A 33 ILE CA . 19916 1 307 . 1 1 33 33 ILE CB C 13 37.821 0.065 . . . . . A 33 ILE CB . 19916 1 308 . 1 1 33 33 ILE CG1 C 13 27.865 0.040 . . . . . A 33 ILE CG1 . 19916 1 309 . 1 1 33 33 ILE CG2 C 13 17.089 0.019 . . . . . A 33 ILE CG2 . 19916 1 310 . 1 1 33 33 ILE CD1 C 13 14.270 0.028 . . . . . A 33 ILE CD1 . 19916 1 311 . 1 1 33 33 ILE N N 15 121.037 0.029 . . . . . A 33 ILE N . 19916 1 312 . 1 1 34 34 GLU H H 1 8.910 0.002 . . . . . A 34 GLU H . 19916 1 313 . 1 1 34 34 GLU HA H 1 4.305 0.003 . . . . . A 34 GLU HA . 19916 1 314 . 1 1 34 34 GLU HB2 H 1 2.069 0.004 . . . . . A 34 GLU HB2 . 19916 1 315 . 1 1 34 34 GLU HB3 H 1 1.820 0.003 . . . . . A 34 GLU HB3 . 19916 1 316 . 1 1 34 34 GLU HG2 H 1 2.248 0.004 . . . . . A 34 GLU HG2 . 19916 1 317 . 1 1 34 34 GLU HG3 H 1 2.248 0.004 . . . . . A 34 GLU HG3 . 19916 1 318 . 1 1 34 34 GLU CA C 13 54.822 0.044 . . . . . A 34 GLU CA . 19916 1 319 . 1 1 34 34 GLU CB C 13 28.145 0.055 . . . . . A 34 GLU CB . 19916 1 320 . 1 1 34 34 GLU CG C 13 33.591 0.026 . . . . . A 34 GLU CG . 19916 1 321 . 1 1 34 34 GLU N N 15 127.241 0.043 . . . . . A 34 GLU N . 19916 1 322 . 1 1 35 35 ALA H H 1 7.462 0.003 . . . . . A 35 ALA H . 19916 1 323 . 1 1 35 35 ALA HA H 1 4.623 0.003 . . . . . A 35 ALA HA . 19916 1 324 . 1 1 35 35 ALA HB1 H 1 1.626 0.009 . . . . . A 35 ALA HB1 . 19916 1 325 . 1 1 35 35 ALA HB2 H 1 1.626 0.009 . . . . . A 35 ALA HB2 . 19916 1 326 . 1 1 35 35 ALA HB3 H 1 1.626 0.009 . . . . . A 35 ALA HB3 . 19916 1 327 . 1 1 35 35 ALA CA C 13 53.525 0.062 . . . . . A 35 ALA CA . 19916 1 328 . 1 1 35 35 ALA CB C 13 20.402 0.066 . . . . . A 35 ALA CB . 19916 1 329 . 1 1 35 35 ALA N N 15 120.119 0.025 . . . . . A 35 ALA N . 19916 1 330 . 1 1 36 36 ASP H H 1 8.570 0.002 . . . . . A 36 ASP H . 19916 1 331 . 1 1 36 36 ASP HA H 1 4.582 0.013 . . . . . A 36 ASP HA . 19916 1 332 . 1 1 36 36 ASP HB2 H 1 2.664 0.010 . . . . . A 36 ASP HB2 . 19916 1 333 . 1 1 36 36 ASP HB3 H 1 2.576 0.002 . . . . . A 36 ASP HB3 . 19916 1 334 . 1 1 36 36 ASP CA C 13 54.932 0.064 . . . . . A 36 ASP CA . 19916 1 335 . 1 1 36 36 ASP CB C 13 41.105 0.039 . . . . . A 36 ASP CB . 19916 1 336 . 1 1 36 36 ASP N N 15 122.296 0.038 . . . . . A 36 ASP N . 19916 1 337 . 1 1 37 37 GLY H H 1 8.330 0.005 . . . . . A 37 GLY H . 19916 1 338 . 1 1 37 37 GLY HA2 H 1 4.770 0.000 . . . . . A 37 GLY HA2 . 19916 1 339 . 1 1 37 37 GLY HA3 H 1 3.924 0.004 . . . . . A 37 GLY HA3 . 19916 1 340 . 1 1 37 37 GLY CA C 13 44.566 0.004 . . . . . A 37 GLY CA . 19916 1 341 . 1 1 37 37 GLY N N 15 109.695 0.033 . . . . . A 37 GLY N . 19916 1 342 . 1 1 38 38 PHE H H 1 8.351 0.003 . . . . . A 38 PHE H . 19916 1 343 . 1 1 38 38 PHE HA H 1 4.046 0.006 . . . . . A 38 PHE HA . 19916 1 344 . 1 1 38 38 PHE HB2 H 1 2.876 0.004 . . . . . A 38 PHE HB2 . 19916 1 345 . 1 1 38 38 PHE HB3 H 1 2.665 0.004 . . . . . A 38 PHE HB3 . 19916 1 346 . 1 1 38 38 PHE HD1 H 1 6.781 0.002 . . . . . A 38 PHE HD1 . 19916 1 347 . 1 1 38 38 PHE HD2 H 1 6.781 0.002 . . . . . A 38 PHE HD2 . 19916 1 348 . 1 1 38 38 PHE CA C 13 59.880 0.038 . . . . . A 38 PHE CA . 19916 1 349 . 1 1 38 38 PHE CB C 13 38.434 0.029 . . . . . A 38 PHE CB . 19916 1 350 . 1 1 38 38 PHE N N 15 123.422 0.017 . . . . . A 38 PHE N . 19916 1 351 . 1 1 40 40 THR H H 1 7.802 0.001 . . . . . A 40 THR H . 19916 1 352 . 1 1 40 40 THR HA H 1 3.777 0.003 . . . . . A 40 THR HA . 19916 1 353 . 1 1 40 40 THR HB H 1 3.564 0.010 . . . . . A 40 THR HB . 19916 1 354 . 1 1 40 40 THR CA C 13 56.809 0.060 . . . . . A 40 THR CA . 19916 1 355 . 1 1 40 40 THR CB C 13 64.518 0.016 . . . . . A 40 THR CB . 19916 1 356 . 1 1 41 41 LEU H H 1 5.742 0.006 . . . . . A 41 LEU H . 19916 1 357 . 1 1 41 41 LEU HA H 1 4.431 0.007 . . . . . A 41 LEU HA . 19916 1 358 . 1 1 41 41 LEU HB2 H 1 0.979 0.004 . . . . . A 41 LEU HB2 . 19916 1 359 . 1 1 41 41 LEU HB3 H 1 0.233 0.008 . . . . . A 41 LEU HB3 . 19916 1 360 . 1 1 41 41 LEU HG H 1 0.711 0.013 . . . . . A 41 LEU HG . 19916 1 361 . 1 1 41 41 LEU HD11 H 1 0.457 0.004 . . . . . A 41 LEU HD11 . 19916 1 362 . 1 1 41 41 LEU HD12 H 1 0.457 0.004 . . . . . A 41 LEU HD12 . 19916 1 363 . 1 1 41 41 LEU HD13 H 1 0.457 0.004 . . . . . A 41 LEU HD13 . 19916 1 364 . 1 1 41 41 LEU HD21 H 1 0.457 0.004 . . . . . A 41 LEU HD21 . 19916 1 365 . 1 1 41 41 LEU HD22 H 1 0.457 0.004 . . . . . A 41 LEU HD22 . 19916 1 366 . 1 1 41 41 LEU HD23 H 1 0.457 0.004 . . . . . A 41 LEU HD23 . 19916 1 367 . 1 1 41 41 LEU CA C 13 52.594 0.038 . . . . . A 41 LEU CA . 19916 1 368 . 1 1 41 41 LEU CB C 13 46.718 0.058 . . . . . A 41 LEU CB . 19916 1 369 . 1 1 41 41 LEU CG C 13 25.726 0.067 . . . . . A 41 LEU CG . 19916 1 370 . 1 1 41 41 LEU CD1 C 13 22.598 0.045 . . . . . A 41 LEU CD1 . 19916 1 371 . 1 1 41 41 LEU N N 15 118.152 0.015 . . . . . A 41 LEU N . 19916 1 372 . 1 1 42 42 ASN H H 1 8.192 0.004 . . . . . A 42 ASN H . 19916 1 373 . 1 1 42 42 ASN HA H 1 4.944 0.007 . . . . . A 42 ASN HA . 19916 1 374 . 1 1 42 42 ASN HB2 H 1 2.603 0.007 . . . . . A 42 ASN HB2 . 19916 1 375 . 1 1 42 42 ASN HB3 H 1 2.326 0.003 . . . . . A 42 ASN HB3 . 19916 1 376 . 1 1 42 42 ASN HD21 H 1 7.583 0.003 . . . . . A 42 ASN HD21 . 19916 1 377 . 1 1 42 42 ASN HD22 H 1 6.833 0.001 . . . . . A 42 ASN HD22 . 19916 1 378 . 1 1 42 42 ASN CA C 13 52.316 0.084 . . . . . A 42 ASN CA . 19916 1 379 . 1 1 42 42 ASN CB C 13 43.392 0.159 . . . . . A 42 ASN CB . 19916 1 380 . 1 1 42 42 ASN N N 15 118.219 0.025 . . . . . A 42 ASN N . 19916 1 381 . 1 1 42 42 ASN ND2 N 15 112.632 0.041 . . . . . A 42 ASN ND2 . 19916 1 382 . 1 1 43 43 GLU H H 1 8.686 0.004 . . . . . A 43 GLU H . 19916 1 383 . 1 1 43 43 GLU HA H 1 3.557 0.003 . . . . . A 43 GLU HA . 19916 1 384 . 1 1 43 43 GLU HB2 H 1 2.209 0.005 . . . . . A 43 GLU HB2 . 19916 1 385 . 1 1 43 43 GLU HB3 H 1 2.016 0.010 . . . . . A 43 GLU HB3 . 19916 1 386 . 1 1 43 43 GLU HG2 H 1 2.581 0.006 . . . . . A 43 GLU HG2 . 19916 1 387 . 1 1 43 43 GLU HG3 H 1 2.240 0.003 . . . . . A 43 GLU HG3 . 19916 1 388 . 1 1 43 43 GLU CA C 13 58.368 0.012 . . . . . A 43 GLU CA . 19916 1 389 . 1 1 43 43 GLU CB C 13 29.362 0.048 . . . . . A 43 GLU CB . 19916 1 390 . 1 1 43 43 GLU CG C 13 35.548 0.076 . . . . . A 43 GLU CG . 19916 1 391 . 1 1 43 43 GLU N N 15 121.201 0.036 . . . . . A 43 GLU N . 19916 1 392 . 1 1 44 44 GLY H H 1 9.050 0.002 . . . . . A 44 GLY H . 19916 1 393 . 1 1 44 44 GLY HA2 H 1 4.320 0.006 . . . . . A 44 GLY HA2 . 19916 1 394 . 1 1 44 44 GLY HA3 H 1 3.548 0.003 . . . . . A 44 GLY HA3 . 19916 1 395 . 1 1 44 44 GLY CA C 13 45.262 0.018 . . . . . A 44 GLY CA . 19916 1 396 . 1 1 44 44 GLY N N 15 114.085 0.016 . . . . . A 44 GLY N . 19916 1 397 . 1 1 45 45 GLU H H 1 7.732 0.003 . . . . . A 45 GLU H . 19916 1 398 . 1 1 45 45 GLU HA H 1 4.169 0.004 . . . . . A 45 GLU HA . 19916 1 399 . 1 1 45 45 GLU HB2 H 1 2.179 0.005 . . . . . A 45 GLU HB2 . 19916 1 400 . 1 1 45 45 GLU HB3 H 1 1.946 0.006 . . . . . A 45 GLU HB3 . 19916 1 401 . 1 1 45 45 GLU HG2 H 1 2.357 0.015 . . . . . A 45 GLU HG2 . 19916 1 402 . 1 1 45 45 GLU HG3 H 1 2.302 0.003 . . . . . A 45 GLU HG3 . 19916 1 403 . 1 1 45 45 GLU CA C 13 56.376 0.161 . . . . . A 45 GLU CA . 19916 1 404 . 1 1 45 45 GLU CB C 13 30.262 0.046 . . . . . A 45 GLU CB . 19916 1 405 . 1 1 45 45 GLU CG C 13 33.506 0.060 . . . . . A 45 GLU CG . 19916 1 406 . 1 1 45 45 GLU N N 15 121.062 0.020 . . . . . A 45 GLU N . 19916 1 407 . 1 1 46 46 HIS H H 1 8.779 0.005 . . . . . A 46 HIS H . 19916 1 408 . 1 1 46 46 HIS HA H 1 5.019 0.006 . . . . . A 46 HIS HA . 19916 1 409 . 1 1 46 46 HIS HB3 H 1 1.870 0.004 . . . . . A 46 HIS HB3 . 19916 1 410 . 1 1 46 46 HIS HD2 H 1 7.403 0.011 . . . . . A 46 HIS HD2 . 19916 1 411 . 1 1 46 46 HIS CA C 13 56.638 0.075 . . . . . A 46 HIS CA . 19916 1 412 . 1 1 46 46 HIS CB C 13 33.163 0.023 . . . . . A 46 HIS CB . 19916 1 413 . 1 1 46 46 HIS N N 15 126.237 0.049 . . . . . A 46 HIS N . 19916 1 414 . 1 1 47 47 VAL H H 1 8.542 0.010 . . . . . A 47 VAL H . 19916 1 415 . 1 1 47 47 VAL HA H 1 5.353 0.005 . . . . . A 47 VAL HA . 19916 1 416 . 1 1 47 47 VAL HB H 1 2.128 0.005 . . . . . A 47 VAL HB . 19916 1 417 . 1 1 47 47 VAL HG21 H 1 0.572 0.004 . . . . . A 47 VAL HG21 . 19916 1 418 . 1 1 47 47 VAL HG22 H 1 0.572 0.004 . . . . . A 47 VAL HG22 . 19916 1 419 . 1 1 47 47 VAL HG23 H 1 0.474 0.005 . . . . . A 47 VAL HG23 . 19916 1 420 . 1 1 47 47 VAL CA C 13 58.866 0.055 . . . . . A 47 VAL CA . 19916 1 421 . 1 1 47 47 VAL CB C 13 37.051 0.052 . . . . . A 47 VAL CB . 19916 1 422 . 1 1 47 47 VAL CG1 C 13 22.992 0.028 . . . . . A 47 VAL CG1 . 19916 1 423 . 1 1 47 47 VAL CG2 C 13 18.307 0.028 . . . . . A 47 VAL CG2 . 19916 1 424 . 1 1 47 47 VAL N N 15 115.625 0.023 . . . . . A 47 VAL N . 19916 1 425 . 1 1 48 48 GLU H H 1 9.064 0.007 . . . . . A 48 GLU H . 19916 1 426 . 1 1 48 48 GLU HA H 1 4.638 0.006 . . . . . A 48 GLU HA . 19916 1 427 . 1 1 48 48 GLU HB2 H 1 2.798 0.010 . . . . . A 48 GLU HB2 . 19916 1 428 . 1 1 48 48 GLU HB3 H 1 2.719 0.005 . . . . . A 48 GLU HB3 . 19916 1 429 . 1 1 48 48 GLU CA C 13 55.993 0.063 . . . . . A 48 GLU CA . 19916 1 430 . 1 1 48 48 GLU CB C 13 26.162 0.171 . . . . . A 48 GLU CB . 19916 1 431 . 1 1 48 48 GLU N N 15 114.841 0.016 . . . . . A 48 GLU N . 19916 1 432 . 1 1 49 49 PHE H H 1 8.625 0.007 . . . . . A 49 PHE H . 19916 1 433 . 1 1 49 49 PHE HA H 1 5.225 0.004 . . . . . A 49 PHE HA . 19916 1 434 . 1 1 49 49 PHE HB2 H 1 3.230 0.011 . . . . . A 49 PHE HB2 . 19916 1 435 . 1 1 49 49 PHE HB3 H 1 3.168 0.008 . . . . . A 49 PHE HB3 . 19916 1 436 . 1 1 49 49 PHE HD1 H 1 6.787 0.002 . . . . . A 49 PHE HD1 . 19916 1 437 . 1 1 49 49 PHE HD2 H 1 6.787 0.002 . . . . . A 49 PHE HD2 . 19916 1 438 . 1 1 49 49 PHE CA C 13 56.659 0.095 . . . . . A 49 PHE CA . 19916 1 439 . 1 1 49 49 PHE CB C 13 40.430 0.083 . . . . . A 49 PHE CB . 19916 1 440 . 1 1 49 49 PHE N N 15 117.577 0.015 . . . . . A 49 PHE N . 19916 1 441 . 1 1 50 50 GLU H H 1 8.987 0.003 . . . . . A 50 GLU H . 19916 1 442 . 1 1 50 50 GLU HA H 1 5.059 0.007 . . . . . A 50 GLU HA . 19916 1 443 . 1 1 50 50 GLU HB2 H 1 2.194 0.009 . . . . . A 50 GLU HB2 . 19916 1 444 . 1 1 50 50 GLU HG2 H 1 2.121 0.005 . . . . . A 50 GLU HG2 . 19916 1 445 . 1 1 50 50 GLU HG3 H 1 2.121 0.005 . . . . . A 50 GLU HG3 . 19916 1 446 . 1 1 50 50 GLU CA C 13 60.010 0.091 . . . . . A 50 GLU CA . 19916 1 447 . 1 1 50 50 GLU CB C 13 30.479 0.082 . . . . . A 50 GLU CB . 19916 1 448 . 1 1 50 50 GLU CG C 13 32.591 0.061 . . . . . A 50 GLU CG . 19916 1 449 . 1 1 50 50 GLU N N 15 110.691 0.049 . . . . . A 50 GLU N . 19916 1 450 . 1 1 51 51 VAL H H 1 8.666 0.004 . . . . . A 51 VAL H . 19916 1 451 . 1 1 51 51 VAL HA H 1 4.697 0.009 . . . . . A 51 VAL HA . 19916 1 452 . 1 1 51 51 VAL HB H 1 1.784 0.011 . . . . . A 51 VAL HB . 19916 1 453 . 1 1 51 51 VAL HG21 H 1 0.952 0.004 . . . . . A 51 VAL HG21 . 19916 1 454 . 1 1 51 51 VAL HG22 H 1 0.952 0.004 . . . . . A 51 VAL HG22 . 19916 1 455 . 1 1 51 51 VAL HG23 H 1 1.121 0.000 . . . . . A 51 VAL HG23 . 19916 1 456 . 1 1 51 51 VAL CA C 13 61.447 0.109 . . . . . A 51 VAL CA . 19916 1 457 . 1 1 51 51 VAL CB C 13 39.068 0.026 . . . . . A 51 VAL CB . 19916 1 458 . 1 1 51 51 VAL N N 15 121.237 0.072 . . . . . A 51 VAL N . 19916 1 459 . 1 1 52 52 GLU H H 1 9.288 0.005 . . . . . A 52 GLU H . 19916 1 460 . 1 1 52 52 GLU HA H 1 4.678 0.001 . . . . . A 52 GLU HA . 19916 1 461 . 1 1 52 52 GLU HB2 H 1 2.037 0.007 . . . . . A 52 GLU HB2 . 19916 1 462 . 1 1 52 52 GLU HB3 H 1 1.761 0.003 . . . . . A 52 GLU HB3 . 19916 1 463 . 1 1 52 52 GLU HG2 H 1 2.147 0.021 . . . . . A 52 GLU HG2 . 19916 1 464 . 1 1 52 52 GLU HG3 H 1 2.147 0.021 . . . . . A 52 GLU HG3 . 19916 1 465 . 1 1 52 52 GLU CA C 13 53.653 0.115 . . . . . A 52 GLU CA . 19916 1 466 . 1 1 52 52 GLU CB C 13 31.635 0.026 . . . . . A 52 GLU CB . 19916 1 467 . 1 1 52 52 GLU N N 15 127.902 0.034 . . . . . A 52 GLU N . 19916 1 468 . 1 1 54 54 GLY H H 1 9.310 0.000 . . . . . A 54 GLY H . 19916 1 469 . 1 1 54 54 GLY HA2 H 1 4.680 0.000 . . . . . A 54 GLY HA2 . 19916 1 470 . 1 1 54 54 GLY HA3 H 1 4.752 0.000 . . . . . A 54 GLY HA3 . 19916 1 471 . 1 1 55 55 ARG H H 1 8.808 0.005 . . . . . A 55 ARG H . 19916 1 472 . 1 1 55 55 ARG HA H 1 4.518 0.005 . . . . . A 55 ARG HA . 19916 1 473 . 1 1 55 55 ARG HB2 H 1 1.779 0.010 . . . . . A 55 ARG HB2 . 19916 1 474 . 1 1 55 55 ARG HB3 H 1 1.843 0.014 . . . . . A 55 ARG HB3 . 19916 1 475 . 1 1 55 55 ARG HG2 H 1 2.016 0.000 . . . . . A 55 ARG HG2 . 19916 1 476 . 1 1 55 55 ARG HG3 H 1 1.756 0.000 . . . . . A 55 ARG HG3 . 19916 1 477 . 1 1 55 55 ARG HD2 H 1 3.845 0.000 . . . . . A 55 ARG HD2 . 19916 1 478 . 1 1 55 55 ARG HD3 H 1 3.845 0.000 . . . . . A 55 ARG HD3 . 19916 1 479 . 1 1 55 55 ARG CA C 13 58.203 0.078 . . . . . A 55 ARG CA . 19916 1 480 . 1 1 55 55 ARG CB C 13 33.244 0.043 . . . . . A 55 ARG CB . 19916 1 481 . 1 1 55 55 ARG N N 15 118.579 0.012 . . . . . A 55 ARG N . 19916 1 482 . 1 1 56 56 GLY H H 1 7.784 0.002 . . . . . A 56 GLY H . 19916 1 483 . 1 1 56 56 GLY HA2 H 1 4.432 0.005 . . . . . A 56 GLY HA2 . 19916 1 484 . 1 1 56 56 GLY HA3 H 1 4.016 0.008 . . . . . A 56 GLY HA3 . 19916 1 485 . 1 1 56 56 GLY CA C 13 44.341 0.060 . . . . . A 56 GLY CA . 19916 1 486 . 1 1 56 56 GLY N N 15 113.954 0.019 . . . . . A 56 GLY N . 19916 1 487 . 1 1 57 57 GLY H H 1 8.631 0.001 . . . . . A 57 GLY H . 19916 1 488 . 1 1 57 57 GLY HA2 H 1 4.042 0.014 . . . . . A 57 GLY HA2 . 19916 1 489 . 1 1 57 57 GLY HA3 H 1 4.771 0.000 . . . . . A 57 GLY HA3 . 19916 1 490 . 1 1 57 57 GLY CA C 13 44.903 0.083 . . . . . A 57 GLY CA . 19916 1 491 . 1 1 57 57 GLY N N 15 123.476 0.031 . . . . . A 57 GLY N . 19916 1 492 . 1 1 58 58 LYS H H 1 8.155 0.006 . . . . . A 58 LYS H . 19916 1 493 . 1 1 58 58 LYS HA H 1 4.338 0.005 . . . . . A 58 LYS HA . 19916 1 494 . 1 1 58 58 LYS HB2 H 1 1.704 0.008 . . . . . A 58 LYS HB2 . 19916 1 495 . 1 1 58 58 LYS HB3 H 1 1.094 0.006 . . . . . A 58 LYS HB3 . 19916 1 496 . 1 1 58 58 LYS HG2 H 1 1.119 0.008 . . . . . A 58 LYS HG2 . 19916 1 497 . 1 1 58 58 LYS HD2 H 1 1.359 0.012 . . . . . A 58 LYS HD2 . 19916 1 498 . 1 1 58 58 LYS HD3 H 1 1.293 0.018 . . . . . A 58 LYS HD3 . 19916 1 499 . 1 1 58 58 LYS HE2 H 1 2.754 0.005 . . . . . A 58 LYS HE2 . 19916 1 500 . 1 1 58 58 LYS HE3 H 1 2.754 0.005 . . . . . A 58 LYS HE3 . 19916 1 501 . 1 1 58 58 LYS CA C 13 55.243 0.067 . . . . . A 58 LYS CA . 19916 1 502 . 1 1 58 58 LYS CB C 13 32.503 0.083 . . . . . A 58 LYS CB . 19916 1 503 . 1 1 58 58 LYS CG C 13 25.363 0.024 . . . . . A 58 LYS CG . 19916 1 504 . 1 1 58 58 LYS CD C 13 29.206 0.091 . . . . . A 58 LYS CD . 19916 1 505 . 1 1 58 58 LYS CE C 13 42.000 0.036 . . . . . A 58 LYS CE . 19916 1 506 . 1 1 58 58 LYS N N 15 114.286 0.031 . . . . . A 58 LYS N . 19916 1 507 . 1 1 59 59 GLY H H 1 7.284 0.003 . . . . . A 59 GLY H . 19916 1 508 . 1 1 59 59 GLY HA2 H 1 3.822 0.004 . . . . . A 59 GLY HA2 . 19916 1 509 . 1 1 59 59 GLY HA3 H 1 4.675 0.000 . . . . . A 59 GLY HA3 . 19916 1 510 . 1 1 59 59 GLY CA C 13 44.348 0.042 . . . . . A 59 GLY CA . 19916 1 511 . 1 1 59 59 GLY N N 15 107.822 0.035 . . . . . A 59 GLY N . 19916 1 512 . 1 1 60 60 PRO HA H 1 4.869 0.008 . . . . . A 60 PRO HA . 19916 1 513 . 1 1 60 60 PRO HB2 H 1 2.337 0.003 . . . . . A 60 PRO HB2 . 19916 1 514 . 1 1 60 60 PRO HB3 H 1 1.947 0.015 . . . . . A 60 PRO HB3 . 19916 1 515 . 1 1 60 60 PRO HG2 H 1 2.327 0.002 . . . . . A 60 PRO HG2 . 19916 1 516 . 1 1 60 60 PRO HG3 H 1 2.050 0.004 . . . . . A 60 PRO HG3 . 19916 1 517 . 1 1 60 60 PRO HD2 H 1 3.844 0.011 . . . . . A 60 PRO HD2 . 19916 1 518 . 1 1 60 60 PRO HD3 H 1 3.683 0.003 . . . . . A 60 PRO HD3 . 19916 1 519 . 1 1 60 60 PRO CA C 13 63.185 0.031 . . . . . A 60 PRO CA . 19916 1 520 . 1 1 60 60 PRO CB C 13 32.891 0.058 . . . . . A 60 PRO CB . 19916 1 521 . 1 1 60 60 PRO CG C 13 27.381 0.039 . . . . . A 60 PRO CG . 19916 1 522 . 1 1 60 60 PRO CD C 13 49.605 0.030 . . . . . A 60 PRO CD . 19916 1 523 . 1 1 61 61 GLN H H 1 8.814 0.003 . . . . . A 61 GLN H . 19916 1 524 . 1 1 61 61 GLN HA H 1 5.181 0.005 . . . . . A 61 GLN HA . 19916 1 525 . 1 1 61 61 GLN HB3 H 1 1.477 0.002 . . . . . A 61 GLN HB3 . 19916 1 526 . 1 1 61 61 GLN HE21 H 1 7.406 0.003 . . . . . A 61 GLN HE21 . 19916 1 527 . 1 1 61 61 GLN HE22 H 1 6.854 0.001 . . . . . A 61 GLN HE22 . 19916 1 528 . 1 1 61 61 GLN CA C 13 50.924 0.025 . . . . . A 61 GLN CA . 19916 1 529 . 1 1 61 61 GLN CB C 13 22.667 0.053 . . . . . A 61 GLN CB . 19916 1 530 . 1 1 61 61 GLN N N 15 125.734 0.037 . . . . . A 61 GLN N . 19916 1 531 . 1 1 61 61 GLN NE2 N 15 110.711 0.023 . . . . . A 61 GLN NE2 . 19916 1 532 . 1 1 62 62 ALA H H 1 8.976 0.005 . . . . . A 62 ALA H . 19916 1 533 . 1 1 62 62 ALA HA H 1 5.051 0.003 . . . . . A 62 ALA HA . 19916 1 534 . 1 1 62 62 ALA HB1 H 1 0.860 0.003 . . . . . A 62 ALA HB1 . 19916 1 535 . 1 1 62 62 ALA HB2 H 1 0.860 0.003 . . . . . A 62 ALA HB2 . 19916 1 536 . 1 1 62 62 ALA HB3 H 1 0.860 0.003 . . . . . A 62 ALA HB3 . 19916 1 537 . 1 1 62 62 ALA CA C 13 51.065 0.094 . . . . . A 62 ALA CA . 19916 1 538 . 1 1 62 62 ALA CB C 13 20.215 0.050 . . . . . A 62 ALA CB . 19916 1 539 . 1 1 62 62 ALA N N 15 122.339 0.023 . . . . . A 62 ALA N . 19916 1 540 . 1 1 63 63 LYS H H 1 9.213 0.020 . . . . . A 63 LYS H . 19916 1 541 . 1 1 63 63 LYS HA H 1 4.616 0.005 . . . . . A 63 LYS HA . 19916 1 542 . 1 1 63 63 LYS HB2 H 1 2.119 0.000 . . . . . A 63 LYS HB2 . 19916 1 543 . 1 1 63 63 LYS HB3 H 1 2.119 0.000 . . . . . A 63 LYS HB3 . 19916 1 544 . 1 1 63 63 LYS HG2 H 1 1.524 0.000 . . . . . A 63 LYS HG2 . 19916 1 545 . 1 1 63 63 LYS HG3 H 1 1.383 0.000 . . . . . A 63 LYS HG3 . 19916 1 546 . 1 1 63 63 LYS HD2 H 1 1.118 0.000 . . . . . A 63 LYS HD2 . 19916 1 547 . 1 1 63 63 LYS HD3 H 1 1.118 0.000 . . . . . A 63 LYS HD3 . 19916 1 548 . 1 1 63 63 LYS HE2 H 1 3.537 0.003 . . . . . A 63 LYS HE2 . 19916 1 549 . 1 1 63 63 LYS HE3 H 1 3.537 0.003 . . . . . A 63 LYS HE3 . 19916 1 550 . 1 1 63 63 LYS CA C 13 53.434 0.008 . . . . . A 63 LYS CA . 19916 1 551 . 1 1 63 63 LYS N N 15 108.503 0.020 . . . . . A 63 LYS N . 19916 1 552 . 1 1 64 64 LYS H H 1 9.294 0.004 . . . . . A 64 LYS H . 19916 1 553 . 1 1 64 64 LYS HA H 1 4.132 0.006 . . . . . A 64 LYS HA . 19916 1 554 . 1 1 64 64 LYS HB2 H 1 2.763 0.005 . . . . . A 64 LYS HB2 . 19916 1 555 . 1 1 64 64 LYS HB3 H 1 2.239 0.002 . . . . . A 64 LYS HB3 . 19916 1 556 . 1 1 64 64 LYS HG3 H 1 1.522 0.008 . . . . . A 64 LYS HG3 . 19916 1 557 . 1 1 64 64 LYS HE2 H 1 3.532 0.000 . . . . . A 64 LYS HE2 . 19916 1 558 . 1 1 64 64 LYS HE3 H 1 3.532 0.000 . . . . . A 64 LYS HE3 . 19916 1 559 . 1 1 64 64 LYS CA C 13 54.661 0.078 . . . . . A 64 LYS CA . 19916 1 560 . 1 1 64 64 LYS CB C 13 38.255 0.031 . . . . . A 64 LYS CB . 19916 1 561 . 1 1 64 64 LYS N N 15 116.634 0.019 . . . . . A 64 LYS N . 19916 1 562 . 1 1 65 65 VAL H H 1 8.124 0.006 . . . . . A 65 VAL H . 19916 1 563 . 1 1 65 65 VAL HA H 1 4.648 0.010 . . . . . A 65 VAL HA . 19916 1 564 . 1 1 65 65 VAL HB H 1 1.718 0.004 . . . . . A 65 VAL HB . 19916 1 565 . 1 1 65 65 VAL HG21 H 1 0.590 0.008 . . . . . A 65 VAL HG21 . 19916 1 566 . 1 1 65 65 VAL HG22 H 1 0.590 0.008 . . . . . A 65 VAL HG22 . 19916 1 567 . 1 1 65 65 VAL HG23 H 1 0.633 0.009 . . . . . A 65 VAL HG23 . 19916 1 568 . 1 1 65 65 VAL CA C 13 63.462 0.038 . . . . . A 65 VAL CA . 19916 1 569 . 1 1 65 65 VAL CB C 13 31.514 0.040 . . . . . A 65 VAL CB . 19916 1 570 . 1 1 65 65 VAL CG1 C 13 22.590 0.119 . . . . . A 65 VAL CG1 . 19916 1 571 . 1 1 65 65 VAL CG2 C 13 21.643 0.073 . . . . . A 65 VAL CG2 . 19916 1 572 . 1 1 65 65 VAL N N 15 118.143 0.019 . . . . . A 65 VAL N . 19916 1 573 . 1 1 66 66 ARG H H 1 9.062 0.002 . . . . . A 66 ARG H . 19916 1 574 . 1 1 66 66 ARG HA H 1 4.765 0.003 . . . . . A 66 ARG HA . 19916 1 575 . 1 1 66 66 ARG HB2 H 1 2.148 0.004 . . . . . A 66 ARG HB2 . 19916 1 576 . 1 1 66 66 ARG HG3 H 1 1.115 0.003 . . . . . A 66 ARG HG3 . 19916 1 577 . 1 1 66 66 ARG CA C 13 59.673 0.030 . . . . . A 66 ARG CA . 19916 1 578 . 1 1 66 66 ARG CB C 13 31.738 0.066 . . . . . A 66 ARG CB . 19916 1 579 . 1 1 66 66 ARG CG C 13 21.556 0.035 . . . . . A 66 ARG CG . 19916 1 580 . 1 1 66 66 ARG N N 15 120.977 0.020 . . . . . A 66 ARG N . 19916 1 581 . 1 1 67 67 ARG H H 1 8.651 0.004 . . . . . A 67 ARG H . 19916 1 582 . 1 1 67 67 ARG HA H 1 4.627 0.003 . . . . . A 67 ARG HA . 19916 1 583 . 1 1 67 67 ARG HB2 H 1 1.815 0.005 . . . . . A 67 ARG HB2 . 19916 1 584 . 1 1 67 67 ARG CA C 13 59.469 0.058 . . . . . A 67 ARG CA . 19916 1 585 . 1 1 67 67 ARG CB C 13 33.863 0.096 . . . . . A 67 ARG CB . 19916 1 586 . 1 1 67 67 ARG N N 15 119.118 0.015 . . . . . A 67 ARG N . 19916 1 587 . 1 1 68 68 ILE H H 1 7.969 0.002 . . . . . A 68 ILE H . 19916 1 588 . 1 1 68 68 ILE HA H 1 4.251 0.006 . . . . . A 68 ILE HA . 19916 1 589 . 1 1 68 68 ILE HB H 1 1.573 0.004 . . . . . A 68 ILE HB . 19916 1 590 . 1 1 68 68 ILE HG12 H 1 1.505 0.006 . . . . . A 68 ILE HG12 . 19916 1 591 . 1 1 68 68 ILE HG13 H 1 0.855 0.006 . . . . . A 68 ILE HG13 . 19916 1 592 . 1 1 68 68 ILE HG21 H 1 1.349 0.005 . . . . . A 68 ILE HG21 . 19916 1 593 . 1 1 68 68 ILE HG22 H 1 1.349 0.005 . . . . . A 68 ILE HG22 . 19916 1 594 . 1 1 68 68 ILE HG23 H 1 1.349 0.005 . . . . . A 68 ILE HG23 . 19916 1 595 . 1 1 68 68 ILE HD11 H 1 0.563 0.000 . . . . . A 68 ILE HD11 . 19916 1 596 . 1 1 68 68 ILE HD12 H 1 0.563 0.000 . . . . . A 68 ILE HD12 . 19916 1 597 . 1 1 68 68 ILE HD13 H 1 0.563 0.000 . . . . . A 68 ILE HD13 . 19916 1 598 . 1 1 68 68 ILE CA C 13 56.391 0.038 . . . . . A 68 ILE CA . 19916 1 599 . 1 1 68 68 ILE CB C 13 43.585 0.072 . . . . . A 68 ILE CB . 19916 1 600 . 1 1 68 68 ILE CG1 C 13 27.426 0.060 . . . . . A 68 ILE CG1 . 19916 1 601 . 1 1 68 68 ILE N N 15 131.532 0.024 . . . . . A 68 ILE N . 19916 1 stop_ save_