################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7158 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7158 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7158 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 1 1 GLY HA2 H 1 3.719 0.04 . 2 . . . . 0 GLY HA2 . 7158 1 2 . 1 1 1 1 GLY HA3 H 1 3.677 0.04 . 2 . . . . 0 GLY HA3 . 7158 1 3 . 1 1 1 1 GLY CA C 13 43.549 0.003 . 1 . . . . 0 GLY CA . 7158 1 4 . 1 1 2 2 HIS HA H 1 4.607 0.04 . 1 . . . . 1 HIS HA . 7158 1 5 . 1 1 2 2 HIS HB2 H 1 3.028 0.04 . 2 . . . . 1 HIS HB2 . 7158 1 6 . 1 1 2 2 HIS HB3 H 1 2.965 0.04 . 2 . . . . 1 HIS HB3 . 7158 1 7 . 1 1 2 2 HIS HD2 H 1 6.948 0.04 . 1 . . . . 1 HIS HD2 . 7158 1 8 . 1 1 2 2 HIS HE1 H 1 7.809 0.04 . 1 . . . . 1 HIS HE1 . 7158 1 9 . 1 1 2 2 HIS CA C 13 56.336 0.04 . 1 . . . . 1 HIS CA . 7158 1 10 . 1 1 2 2 HIS CB C 13 31.247 0.027 . 1 . . . . 1 HIS CB . 7158 1 11 . 1 1 2 2 HIS CD2 C 13 119.581 0.04 . 1 . . . . 1 HIS CD2 . 7158 1 12 . 1 1 2 2 HIS CE1 C 13 138.451 0.04 . 1 . . . . 1 HIS CE1 . 7158 1 13 . 1 1 3 3 MET H H 1 8.422 0.04 . 1 . . . . 2 MET H . 7158 1 14 . 1 1 3 3 MET HA H 1 4.404 0.002 . 1 . . . . 2 MET HA . 7158 1 15 . 1 1 3 3 MET HB2 H 1 1.956 0.001 . 2 . . . . 2 MET HB2 . 7158 1 16 . 1 1 3 3 MET HB3 H 1 1.924 0.003 . 2 . . . . 2 MET HB3 . 7158 1 17 . 1 1 3 3 MET HG2 H 1 2.452 0.04 . 2 . . . . 2 MET HG2 . 7158 1 18 . 1 1 3 3 MET HG3 H 1 2.410 0.04 . 2 . . . . 2 MET HG3 . 7158 1 19 . 1 1 3 3 MET HE1 H 1 2.029 0.04 . 1 . . . . 2 MET HE . 7158 1 20 . 1 1 3 3 MET HE2 H 1 2.029 0.04 . 1 . . . . 2 MET HE . 7158 1 21 . 1 1 3 3 MET HE3 H 1 2.029 0.04 . 1 . . . . 2 MET HE . 7158 1 22 . 1 1 3 3 MET C C 13 174.660 0.002 . 1 . . . . 2 MET C . 7158 1 23 . 1 1 3 3 MET CA C 13 55.490 0.018 . 1 . . . . 2 MET CA . 7158 1 24 . 1 1 3 3 MET CB C 13 33.001 0.036 . 1 . . . . 2 MET CB . 7158 1 25 . 1 1 3 3 MET CG C 13 31.791 0.001 . 1 . . . . 2 MET CG . 7158 1 26 . 1 1 3 3 MET CE C 13 16.890 0.04 . 1 . . . . 2 MET CE . 7158 1 27 . 1 1 3 3 MET N N 15 122.745 0.04 . 1 . . . . 2 MET N . 7158 1 28 . 1 1 4 4 VAL H H 1 8.349 0.001 . 1 . . . . 3 VAL H . 7158 1 29 . 1 1 4 4 VAL HA H 1 4.063 0.002 . 1 . . . . 3 VAL HA . 7158 1 30 . 1 1 4 4 VAL HB H 1 1.954 0.001 . 1 . . . . 3 VAL HB . 7158 1 31 . 1 1 4 4 VAL HG11 H 1 0.873 0.003 . 2 . . . . 3 VAL HG1 . 7158 1 32 . 1 1 4 4 VAL HG12 H 1 0.873 0.003 . 2 . . . . 3 VAL HG1 . 7158 1 33 . 1 1 4 4 VAL HG13 H 1 0.873 0.003 . 2 . . . . 3 VAL HG1 . 7158 1 34 . 1 1 4 4 VAL HG21 H 1 0.889 0.002 . 2 . . . . 3 VAL HG2 . 7158 1 35 . 1 1 4 4 VAL HG22 H 1 0.889 0.002 . 2 . . . . 3 VAL HG2 . 7158 1 36 . 1 1 4 4 VAL HG23 H 1 0.889 0.002 . 2 . . . . 3 VAL HG2 . 7158 1 37 . 1 1 4 4 VAL C C 13 175.052 0.004 . 1 . . . . 3 VAL C . 7158 1 38 . 1 1 4 4 VAL CA C 13 62.239 0.026 . 1 . . . . 3 VAL CA . 7158 1 39 . 1 1 4 4 VAL CB C 13 32.683 0.057 . 1 . . . . 3 VAL CB . 7158 1 40 . 1 1 4 4 VAL CG1 C 13 21.154 0.002 . 1 . . . . 3 VAL CG1 . 7158 1 41 . 1 1 4 4 VAL CG2 C 13 20.763 0.04 . 1 . . . . 3 VAL CG2 . 7158 1 42 . 1 1 4 4 VAL N N 15 123.124 0.005 . 1 . . . . 3 VAL N . 7158 1 43 . 1 1 5 5 ILE H H 1 8.382 0.002 . 1 . . . . 4 ILE H . 7158 1 44 . 1 1 5 5 ILE HA H 1 4.101 0.002 . 1 . . . . 4 ILE HA . 7158 1 45 . 1 1 5 5 ILE HB H 1 1.826 0.001 . 1 . . . . 4 ILE HB . 7158 1 46 . 1 1 5 5 ILE HG12 H 1 1.490 0.002 . 2 . . . . 4 ILE HG12 . 7158 1 47 . 1 1 5 5 ILE HG13 H 1 1.195 0.001 . 2 . . . . 4 ILE HG13 . 7158 1 48 . 1 1 5 5 ILE HG21 H 1 0.898 0.003 . 1 . . . . 4 ILE HG2 . 7158 1 49 . 1 1 5 5 ILE HG22 H 1 0.898 0.003 . 1 . . . . 4 ILE HG2 . 7158 1 50 . 1 1 5 5 ILE HG23 H 1 0.898 0.003 . 1 . . . . 4 ILE HG2 . 7158 1 51 . 1 1 5 5 ILE HD11 H 1 0.823 0.005 . 1 . . . . 4 ILE HD1 . 7158 1 52 . 1 1 5 5 ILE HD12 H 1 0.823 0.005 . 1 . . . . 4 ILE HD1 . 7158 1 53 . 1 1 5 5 ILE HD13 H 1 0.823 0.005 . 1 . . . . 4 ILE HD1 . 7158 1 54 . 1 1 5 5 ILE C C 13 175.245 0.006 . 1 . . . . 4 ILE C . 7158 1 55 . 1 1 5 5 ILE CA C 13 61.611 0.066 . 1 . . . . 4 ILE CA . 7158 1 56 . 1 1 5 5 ILE CB C 13 38.379 0.038 . 1 . . . . 4 ILE CB . 7158 1 57 . 1 1 5 5 ILE CG1 C 13 27.510 0.002 . 1 . . . . 4 ILE CG1 . 7158 1 58 . 1 1 5 5 ILE CG2 C 13 17.435 0.003 . 1 . . . . 4 ILE CG2 . 7158 1 59 . 1 1 5 5 ILE CD1 C 13 12.652 0.008 . 1 . . . . 4 ILE CD1 . 7158 1 60 . 1 1 5 5 ILE N N 15 126.739 0.009 . 1 . . . . 4 ILE N . 7158 1 61 . 1 1 6 6 GLY H H 1 8.563 0.005 . 1 . . . . 5 GLY H . 7158 1 62 . 1 1 6 6 GLY HA2 H 1 4.160 0.001 . 2 . . . . 5 GLY HA2 . 7158 1 63 . 1 1 6 6 GLY HA3 H 1 3.958 0.011 . 2 . . . . 5 GLY HA3 . 7158 1 64 . 1 1 6 6 GLY C C 13 173.588 0.091 . 1 . . . . 5 GLY C . 7158 1 65 . 1 1 6 6 GLY CA C 13 44.997 0.004 . 1 . . . . 5 GLY CA . 7158 1 66 . 1 1 6 6 GLY N N 15 113.198 0.002 . 1 . . . . 5 GLY N . 7158 1 67 . 1 1 7 7 THR H H 1 7.705 0.004 . 1 . . . . 6 THR H . 7158 1 68 . 1 1 7 7 THR HA H 1 4.276 0.004 . 1 . . . . 6 THR HA . 7158 1 69 . 1 1 7 7 THR HB H 1 4.062 0.008 . 1 . . . . 6 THR HB . 7158 1 70 . 1 1 7 7 THR HG21 H 1 1.094 0.04 . 1 . . . . 6 THR HG2 . 7158 1 71 . 1 1 7 7 THR HG22 H 1 1.094 0.04 . 1 . . . . 6 THR HG2 . 7158 1 72 . 1 1 7 7 THR HG23 H 1 1.094 0.04 . 1 . . . . 6 THR HG2 . 7158 1 73 . 1 1 7 7 THR C C 13 172.476 0.018 . 1 . . . . 6 THR C . 7158 1 74 . 1 1 7 7 THR CA C 13 63.246 0.016 . 1 . . . . 6 THR CA . 7158 1 75 . 1 1 7 7 THR CB C 13 70.105 0.159 . 1 . . . . 6 THR CB . 7158 1 76 . 1 1 7 7 THR CG2 C 13 21.710 0.04 . 1 . . . . 6 THR CG2 . 7158 1 77 . 1 1 7 7 THR N N 15 114.062 0.023 . 1 . . . . 6 THR N . 7158 1 78 . 1 1 8 8 TRP H H 1 8.107 0.005 . 1 . . . . 7 TRP H . 7158 1 79 . 1 1 8 8 TRP HA H 1 4.993 0.003 . 1 . . . . 7 TRP HA . 7158 1 80 . 1 1 8 8 TRP HB2 H 1 3.237 0.009 . 2 . . . . 7 TRP HB2 . 7158 1 81 . 1 1 8 8 TRP HB3 H 1 3.013 0.002 . 2 . . . . 7 TRP HB3 . 7158 1 82 . 1 1 8 8 TRP HD1 H 1 7.088 0.002 . 1 . . . . 7 TRP HD1 . 7158 1 83 . 1 1 8 8 TRP HE1 H 1 9.447 0.04 . 1 . . . . 7 TRP HE1 . 7158 1 84 . 1 1 8 8 TRP HE3 H 1 7.300 0.04 . 1 . . . . 7 TRP HE3 . 7158 1 85 . 1 1 8 8 TRP HZ2 H 1 6.613 0.04 . 1 . . . . 7 TRP HZ2 . 7158 1 86 . 1 1 8 8 TRP HZ3 H 1 7.212 0.04 . 1 . . . . 7 TRP HZ3 . 7158 1 87 . 1 1 8 8 TRP HH2 H 1 6.672 0.04 . 1 . . . . 7 TRP HH2 . 7158 1 88 . 1 1 8 8 TRP C C 13 171.939 0.039 . 1 . . . . 7 TRP C . 7158 1 89 . 1 1 8 8 TRP CA C 13 54.099 0.013 . 1 . . . . 7 TRP CA . 7158 1 90 . 1 1 8 8 TRP CB C 13 30.813 0.102 . 1 . . . . 7 TRP CB . 7158 1 91 . 1 1 8 8 TRP CD1 C 13 127.783 0.04 . 1 . . . . 7 TRP CD1 . 7158 1 92 . 1 1 8 8 TRP CE3 C 13 120.746 0.04 . 1 . . . . 7 TRP CE3 . 7158 1 93 . 1 1 8 8 TRP CZ2 C 13 113.781 0.04 . 1 . . . . 7 TRP CZ2 . 7158 1 94 . 1 1 8 8 TRP CZ3 C 13 121.478 0.04 . 1 . . . . 7 TRP CZ3 . 7158 1 95 . 1 1 8 8 TRP CH2 C 13 123.262 0.04 . 1 . . . . 7 TRP CH2 . 7158 1 96 . 1 1 8 8 TRP N N 15 120.373 0.005 . 1 . . . . 7 TRP N . 7158 1 97 . 1 1 8 8 TRP NE1 N 15 130.055 0.04 . 1 . . . . 7 TRP NE1 . 7158 1 98 . 1 1 9 9 ASP H H 1 8.870 0.006 . 1 . . . . 8 ASP H . 7158 1 99 . 1 1 9 9 ASP HA H 1 4.910 0.012 . 1 . . . . 8 ASP HA . 7158 1 100 . 1 1 9 9 ASP HB2 H 1 2.464 0.001 . 2 . . . . 8 ASP HB2 . 7158 1 101 . 1 1 9 9 ASP HB3 H 1 2.186 0.005 . 2 . . . . 8 ASP HB3 . 7158 1 102 . 1 1 9 9 ASP C C 13 174.449 0.026 . 1 . . . . 8 ASP C . 7158 1 103 . 1 1 9 9 ASP CA C 13 52.717 0.012 . 1 . . . . 8 ASP CA . 7158 1 104 . 1 1 9 9 ASP CB C 13 41.665 0.029 . 1 . . . . 8 ASP CB . 7158 1 105 . 1 1 9 9 ASP N N 15 121.933 0.003 . 1 . . . . 8 ASP N . 7158 1 106 . 1 1 10 10 CYS H H 1 8.446 0.003 . 1 . . . . 9 CYS H . 7158 1 107 . 1 1 10 10 CYS HA H 1 4.465 0.003 . 1 . . . . 9 CYS HA . 7158 1 108 . 1 1 10 10 CYS HB2 H 1 2.632 0.003 . 2 . . . . 9 CYS HB2 . 7158 1 109 . 1 1 10 10 CYS HB3 H 1 3.080 0.004 . 2 . . . . 9 CYS HB3 . 7158 1 110 . 1 1 10 10 CYS C C 13 176.522 0.002 . 1 . . . . 9 CYS C . 7158 1 111 . 1 1 10 10 CYS CA C 13 59.631 0.020 . 1 . . . . 9 CYS CA . 7158 1 112 . 1 1 10 10 CYS CB C 13 31.462 0.019 . 1 . . . . 9 CYS CB . 7158 1 113 . 1 1 10 10 CYS N N 15 126.625 0.009 . 1 . . . . 9 CYS N . 7158 1 114 . 1 1 11 11 ASP H H 1 8.981 0.004 . 1 . . . . 10 ASP H . 7158 1 115 . 1 1 11 11 ASP HA H 1 4.541 0.003 . 1 . . . . 10 ASP HA . 7158 1 116 . 1 1 11 11 ASP HB2 H 1 2.749 0.010 . 2 . . . . 10 ASP HB2 . 7158 1 117 . 1 1 11 11 ASP HB3 H 1 2.721 0.003 . 2 . . . . 10 ASP HB3 . 7158 1 118 . 1 1 11 11 ASP C C 13 175.517 0.040 . 1 . . . . 10 ASP C . 7158 1 119 . 1 1 11 11 ASP CA C 13 56.503 0.038 . 1 . . . . 10 ASP CA . 7158 1 120 . 1 1 11 11 ASP CB C 13 41.326 0.037 . 1 . . . . 10 ASP CB . 7158 1 121 . 1 1 11 11 ASP N N 15 129.982 0.012 . 1 . . . . 10 ASP N . 7158 1 122 . 1 1 12 12 THR H H 1 9.229 0.003 . 1 . . . . 11 THR H . 7158 1 123 . 1 1 12 12 THR HA H 1 4.175 0.003 . 1 . . . . 11 THR HA . 7158 1 124 . 1 1 12 12 THR HB H 1 4.295 0.04 . 1 . . . . 11 THR HB . 7158 1 125 . 1 1 12 12 THR HG21 H 1 1.150 0.001 . 1 . . . . 11 THR HG2 . 7158 1 126 . 1 1 12 12 THR HG22 H 1 1.150 0.001 . 1 . . . . 11 THR HG2 . 7158 1 127 . 1 1 12 12 THR HG23 H 1 1.150 0.001 . 1 . . . . 11 THR HG2 . 7158 1 128 . 1 1 12 12 THR C C 13 174.310 0.034 . 1 . . . . 11 THR C . 7158 1 129 . 1 1 12 12 THR CA C 13 65.994 0.022 . 1 . . . . 11 THR CA . 7158 1 130 . 1 1 12 12 THR CB C 13 69.277 0.016 . 1 . . . . 11 THR CB . 7158 1 131 . 1 1 12 12 THR CG2 C 13 21.949 0.04 . 1 . . . . 11 THR CG2 . 7158 1 132 . 1 1 12 12 THR N N 15 119.566 0.002 . 1 . . . . 11 THR N . 7158 1 133 . 1 1 13 13 CYS H H 1 8.851 0.006 . 1 . . . . 12 CYS H . 7158 1 134 . 1 1 13 13 CYS HA H 1 4.966 0.008 . 1 . . . . 12 CYS HA . 7158 1 135 . 1 1 13 13 CYS HB2 H 1 3.136 0.002 . 2 . . . . 12 CYS HB2 . 7158 1 136 . 1 1 13 13 CYS HB3 H 1 2.477 0.007 . 2 . . . . 12 CYS HB3 . 7158 1 137 . 1 1 13 13 CYS C C 13 174.692 0.043 . 1 . . . . 12 CYS C . 7158 1 138 . 1 1 13 13 CYS CA C 13 58.896 0.029 . 1 . . . . 12 CYS CA . 7158 1 139 . 1 1 13 13 CYS CB C 13 32.406 0.054 . 1 . . . . 12 CYS CB . 7158 1 140 . 1 1 13 13 CYS N N 15 123.001 0.006 . 1 . . . . 12 CYS N . 7158 1 141 . 1 1 14 14 LEU H H 1 7.583 0.002 . 1 . . . . 13 LEU H . 7158 1 142 . 1 1 14 14 LEU HA H 1 4.264 0.001 . 1 . . . . 13 LEU HA . 7158 1 143 . 1 1 14 14 LEU HB2 H 1 2.137 0.006 . 2 . . . . 13 LEU HB2 . 7158 1 144 . 1 1 14 14 LEU HB3 H 1 1.635 0.001 . 2 . . . . 13 LEU HB3 . 7158 1 145 . 1 1 14 14 LEU HG H 1 1.361 0.04 . 1 . . . . 13 LEU HG . 7158 1 146 . 1 1 14 14 LEU HD11 H 1 0.818 0.003 . 2 . . . . 13 LEU HD1 . 7158 1 147 . 1 1 14 14 LEU HD12 H 1 0.818 0.003 . 2 . . . . 13 LEU HD1 . 7158 1 148 . 1 1 14 14 LEU HD13 H 1 0.818 0.003 . 2 . . . . 13 LEU HD1 . 7158 1 149 . 1 1 14 14 LEU HD21 H 1 0.809 0.003 . 2 . . . . 13 LEU HD2 . 7158 1 150 . 1 1 14 14 LEU HD22 H 1 0.809 0.003 . 2 . . . . 13 LEU HD2 . 7158 1 151 . 1 1 14 14 LEU HD23 H 1 0.809 0.003 . 2 . . . . 13 LEU HD2 . 7158 1 152 . 1 1 14 14 LEU C C 13 175.151 0.037 . 1 . . . . 13 LEU C . 7158 1 153 . 1 1 14 14 LEU CA C 13 57.600 0.062 . 1 . . . . 13 LEU CA . 7158 1 154 . 1 1 14 14 LEU CB C 13 38.318 0.028 . 1 . . . . 13 LEU CB . 7158 1 155 . 1 1 14 14 LEU CG C 13 27.807 0.04 . 1 . . . . 13 LEU CG . 7158 1 156 . 1 1 14 14 LEU CD1 C 13 24.946 0.008 . 1 . . . . 13 LEU CD1 . 7158 1 157 . 1 1 14 14 LEU CD2 C 13 22.722 0.004 . 1 . . . . 13 LEU CD2 . 7158 1 158 . 1 1 14 14 LEU N N 15 117.737 0.004 . 1 . . . . 13 LEU N . 7158 1 159 . 1 1 15 15 VAL H H 1 8.031 0.003 . 1 . . . . 14 VAL H . 7158 1 160 . 1 1 15 15 VAL HA H 1 3.742 0.002 . 1 . . . . 14 VAL HA . 7158 1 161 . 1 1 15 15 VAL HB H 1 1.845 0.002 . 1 . . . . 14 VAL HB . 7158 1 162 . 1 1 15 15 VAL HG11 H 1 0.684 0.003 . 2 . . . . 14 VAL HG1 . 7158 1 163 . 1 1 15 15 VAL HG12 H 1 0.684 0.003 . 2 . . . . 14 VAL HG1 . 7158 1 164 . 1 1 15 15 VAL HG13 H 1 0.684 0.003 . 2 . . . . 14 VAL HG1 . 7158 1 165 . 1 1 15 15 VAL HG21 H 1 0.880 0.006 . 2 . . . . 14 VAL HG2 . 7158 1 166 . 1 1 15 15 VAL HG22 H 1 0.880 0.006 . 2 . . . . 14 VAL HG2 . 7158 1 167 . 1 1 15 15 VAL HG23 H 1 0.880 0.006 . 2 . . . . 14 VAL HG2 . 7158 1 168 . 1 1 15 15 VAL C C 13 174.068 0.004 . 1 . . . . 14 VAL C . 7158 1 169 . 1 1 15 15 VAL CA C 13 64.364 0.008 . 1 . . . . 14 VAL CA . 7158 1 170 . 1 1 15 15 VAL CB C 13 32.630 0.034 . 1 . . . . 14 VAL CB . 7158 1 171 . 1 1 15 15 VAL CG1 C 13 21.239 0.005 . 1 . . . . 14 VAL CG1 . 7158 1 172 . 1 1 15 15 VAL CG2 C 13 24.854 0.008 . 1 . . . . 14 VAL CG2 . 7158 1 173 . 1 1 15 15 VAL N N 15 123.015 0.013 . 1 . . . . 14 VAL N . 7158 1 174 . 1 1 16 16 GLN H H 1 8.188 0.004 . 1 . . . . 15 GLN H . 7158 1 175 . 1 1 16 16 GLN HA H 1 4.423 0.002 . 1 . . . . 15 GLN HA . 7158 1 176 . 1 1 16 16 GLN HB2 H 1 1.710 0.007 . 2 . . . . 15 GLN HB2 . 7158 1 177 . 1 1 16 16 GLN HB3 H 1 1.889 0.012 . 2 . . . . 15 GLN HB3 . 7158 1 178 . 1 1 16 16 GLN HG2 H 1 2.219 0.04 . 2 . . . . 15 GLN HG2 . 7158 1 179 . 1 1 16 16 GLN HG3 H 1 34.946 0.04 . 2 . . . . 15 GLN HG3 . 7158 1 180 . 1 1 16 16 GLN HE21 H 1 6.716 0.04 . 2 . . . . 15 GLN HE21 . 7158 1 181 . 1 1 16 16 GLN HE22 H 1 8.066 0.04 . 2 . . . . 15 GLN HE22 . 7158 1 182 . 1 1 16 16 GLN C C 13 173.818 0.003 . 1 . . . . 15 GLN C . 7158 1 183 . 1 1 16 16 GLN CA C 13 56.154 0.067 . 1 . . . . 15 GLN CA . 7158 1 184 . 1 1 16 16 GLN CB C 13 30.493 0.016 . 1 . . . . 15 GLN CB . 7158 1 185 . 1 1 16 16 GLN CG C 13 34.956 0.018 . 1 . . . . 15 GLN CG . 7158 1 186 . 1 1 16 16 GLN N N 15 125.930 0.004 . 1 . . . . 15 GLN N . 7158 1 187 . 1 1 16 16 GLN NE2 N 15 113.430 0.001 . 1 . . . . 15 GLN NE2 . 7158 1 188 . 1 1 17 17 ASN H H 1 9.206 0.005 . 1 . . . . 16 ASN H . 7158 1 189 . 1 1 17 17 ASN HA H 1 4.521 0.002 . 1 . . . . 16 ASN HA . 7158 1 190 . 1 1 17 17 ASN HB2 H 1 0.138 0.002 . 2 . . . . 16 ASN HB2 . 7158 1 191 . 1 1 17 17 ASN HB3 H 1 1.607 0.003 . 2 . . . . 16 ASN HB3 . 7158 1 192 . 1 1 17 17 ASN HD21 H 1 7.335 0.04 . 1 . . . . 16 ASN HD21 . 7158 1 193 . 1 1 17 17 ASN HD22 H 1 7.335 0.04 . 1 . . . . 16 ASN HD22 . 7158 1 194 . 1 1 17 17 ASN C C 13 177.304 0.040 . 1 . . . . 16 ASN C . 7158 1 195 . 1 1 17 17 ASN CA C 13 52.425 0.028 . 1 . . . . 16 ASN CA . 7158 1 196 . 1 1 17 17 ASN CB C 13 44.205 0.026 . 1 . . . . 16 ASN CB . 7158 1 197 . 1 1 17 17 ASN N N 15 125.078 0.011 . 1 . . . . 16 ASN N . 7158 1 198 . 1 1 17 17 ASN ND2 N 15 114.550 0.04 . 1 . . . . 16 ASN ND2 . 7158 1 199 . 1 1 18 18 LYS H H 1 8.252 0.004 . 1 . . . . 17 LYS H . 7158 1 200 . 1 1 18 18 LYS HA H 1 4.305 0.001 . 1 . . . . 17 LYS HA . 7158 1 201 . 1 1 18 18 LYS HB2 H 1 2.168 0.04 . 2 . . . . 17 LYS HB2 . 7158 1 202 . 1 1 18 18 LYS HB3 H 1 1.573 0.003 . 2 . . . . 17 LYS HB3 . 7158 1 203 . 1 1 18 18 LYS HG2 H 1 1.572 0.04 . 2 . . . . 17 LYS HG2 . 7158 1 204 . 1 1 18 18 LYS HG3 H 1 1.516 0.04 . 2 . . . . 17 LYS HG3 . 7158 1 205 . 1 1 18 18 LYS HD2 H 1 1.716 0.04 . 2 . . . . 17 LYS HD2 . 7158 1 206 . 1 1 18 18 LYS HD3 H 1 1.672 0.04 . 2 . . . . 17 LYS HD3 . 7158 1 207 . 1 1 18 18 LYS HE2 H 1 2.982 0.04 . 1 . . . . 17 LYS HE2 . 7158 1 208 . 1 1 18 18 LYS HE3 H 1 2.982 0.04 . 1 . . . . 17 LYS HE3 . 7158 1 209 . 1 1 18 18 LYS C C 13 174.268 0.04 . 1 . . . . 17 LYS C . 7158 1 210 . 1 1 18 18 LYS CA C 13 54.481 0.017 . 1 . . . . 17 LYS CA . 7158 1 211 . 1 1 18 18 LYS CB C 13 31.780 0.018 . 1 . . . . 17 LYS CB . 7158 1 212 . 1 1 18 18 LYS CG C 13 25.224 0.001 . 1 . . . . 17 LYS CG . 7158 1 213 . 1 1 18 18 LYS CD C 13 28.991 0.04 . 1 . . . . 17 LYS CD . 7158 1 214 . 1 1 18 18 LYS CE C 13 42.108 0.04 . 1 . . . . 17 LYS CE . 7158 1 215 . 1 1 18 18 LYS N N 15 117.832 0.007 . 1 . . . . 17 LYS N . 7158 1 216 . 1 1 19 19 PRO HA H 1 4.357 0.002 . 1 . . . . 18 PRO HA . 7158 1 217 . 1 1 19 19 PRO HB2 H 1 2.330 0.001 . 2 . . . . 18 PRO HB2 . 7158 1 218 . 1 1 19 19 PRO HB3 H 1 1.916 0.002 . 2 . . . . 18 PRO HB3 . 7158 1 219 . 1 1 19 19 PRO HG2 H 1 2.146 0.04 . 2 . . . . 18 PRO HG2 . 7158 1 220 . 1 1 19 19 PRO HG3 H 1 1.918 0.04 . 2 . . . . 18 PRO HG3 . 7158 1 221 . 1 1 19 19 PRO HD2 H 1 3.788 0.001 . 2 . . . . 18 PRO HD2 . 7158 1 222 . 1 1 19 19 PRO HD3 H 1 3.596 0.002 . 2 . . . . 18 PRO HD3 . 7158 1 223 . 1 1 19 19 PRO C C 13 177.214 0.003 . 1 . . . . 18 PRO C . 7158 1 224 . 1 1 19 19 PRO CA C 13 65.212 0.044 . 1 . . . . 18 PRO CA . 7158 1 225 . 1 1 19 19 PRO CB C 13 31.999 0.010 . 1 . . . . 18 PRO CB . 7158 1 226 . 1 1 19 19 PRO CG C 13 27.747 0.008 . 1 . . . . 18 PRO CG . 7158 1 227 . 1 1 19 19 PRO CD C 13 50.163 0.014 . 1 . . . . 18 PRO CD . 7158 1 228 . 1 1 20 20 GLU H H 1 9.030 0.004 . 1 . . . . 19 GLU H . 7158 1 229 . 1 1 20 20 GLU HA H 1 4.208 0.002 . 1 . . . . 19 GLU HA . 7158 1 230 . 1 1 20 20 GLU HB2 H 1 2.041 0.001 . 1 . . . . 19 GLU HB2 . 7158 1 231 . 1 1 20 20 GLU HB3 H 1 2.041 0.001 . 1 . . . . 19 GLU HB3 . 7158 1 232 . 1 1 20 20 GLU HG2 H 1 2.260 0.04 . 1 . . . . 19 GLU HG2 . 7158 1 233 . 1 1 20 20 GLU HG3 H 1 2.260 0.04 . 1 . . . . 19 GLU HG3 . 7158 1 234 . 1 1 20 20 GLU C C 13 175.760 0.042 . 1 . . . . 19 GLU C . 7158 1 235 . 1 1 20 20 GLU CA C 13 57.175 0.034 . 1 . . . . 19 GLU CA . 7158 1 236 . 1 1 20 20 GLU CB C 13 28.568 0.006 . 1 . . . . 19 GLU CB . 7158 1 237 . 1 1 20 20 GLU CG C 13 35.967 0.04 . 1 . . . . 19 GLU CG . 7158 1 238 . 1 1 20 20 GLU N N 15 113.376 0.011 . 1 . . . . 19 GLU N . 7158 1 239 . 1 1 21 21 ALA H H 1 7.978 0.006 . 1 . . . . 20 ALA H . 7158 1 240 . 1 1 21 21 ALA HA H 1 4.492 0.003 . 1 . . . . 20 ALA HA . 7158 1 241 . 1 1 21 21 ALA HB1 H 1 1.782 0.002 . 1 . . . . 20 ALA HB . 7158 1 242 . 1 1 21 21 ALA HB2 H 1 1.782 0.002 . 1 . . . . 20 ALA HB . 7158 1 243 . 1 1 21 21 ALA HB3 H 1 1.782 0.002 . 1 . . . . 20 ALA HB . 7158 1 244 . 1 1 21 21 ALA C C 13 177.203 0.052 . 1 . . . . 20 ALA C . 7158 1 245 . 1 1 21 21 ALA CA C 13 52.758 0.014 . 1 . . . . 20 ALA CA . 7158 1 246 . 1 1 21 21 ALA CB C 13 19.473 0.017 . 1 . . . . 20 ALA CB . 7158 1 247 . 1 1 21 21 ALA N N 15 125.226 0.003 . 1 . . . . 20 ALA N . 7158 1 248 . 1 1 22 22 ILE H H 1 8.711 0.004 . 1 . . . . 21 ILE H . 7158 1 249 . 1 1 22 22 ILE HA H 1 4.327 0.002 . 1 . . . . 21 ILE HA . 7158 1 250 . 1 1 22 22 ILE HB H 1 2.100 0.002 . 1 . . . . 21 ILE HB . 7158 1 251 . 1 1 22 22 ILE HG12 H 1 1.254 0.04 . 2 . . . . 21 ILE HG12 . 7158 1 252 . 1 1 22 22 ILE HG13 H 1 1.223 0.04 . 2 . . . . 21 ILE HG13 . 7158 1 253 . 1 1 22 22 ILE HG21 H 1 0.885 0.004 . 1 . . . . 21 ILE HG2 . 7158 1 254 . 1 1 22 22 ILE HG22 H 1 0.885 0.004 . 1 . . . . 21 ILE HG2 . 7158 1 255 . 1 1 22 22 ILE HG23 H 1 0.885 0.004 . 1 . . . . 21 ILE HG2 . 7158 1 256 . 1 1 22 22 ILE HD11 H 1 0.853 0.005 . 1 . . . . 21 ILE HD1 . 7158 1 257 . 1 1 22 22 ILE HD12 H 1 0.853 0.005 . 1 . . . . 21 ILE HD1 . 7158 1 258 . 1 1 22 22 ILE HD13 H 1 0.853 0.005 . 1 . . . . 21 ILE HD1 . 7158 1 259 . 1 1 22 22 ILE C C 13 174.762 0.076 . 1 . . . . 21 ILE C . 7158 1 260 . 1 1 22 22 ILE CA C 13 61.394 0.038 . 1 . . . . 21 ILE CA . 7158 1 261 . 1 1 22 22 ILE CB C 13 38.475 0.016 . 1 . . . . 21 ILE CB . 7158 1 262 . 1 1 22 22 ILE CG1 C 13 26.561 0.001 . 1 . . . . 21 ILE CG1 . 7158 1 263 . 1 1 22 22 ILE CG2 C 13 18.450 0.001 . 1 . . . . 21 ILE CG2 . 7158 1 264 . 1 1 22 22 ILE CD1 C 13 13.960 0.017 . 1 . . . . 21 ILE CD1 . 7158 1 265 . 1 1 22 22 ILE N N 15 116.445 0.002 . 1 . . . . 21 ILE N . 7158 1 266 . 1 1 23 23 LYS H H 1 7.901 0.003 . 1 . . . . 22 LYS H . 7158 1 267 . 1 1 23 23 LYS HA H 1 4.809 0.001 . 1 . . . . 22 LYS HA . 7158 1 268 . 1 1 23 23 LYS HB2 H 1 1.632 0.003 . 2 . . . . 22 LYS HB2 . 7158 1 269 . 1 1 23 23 LYS HB3 H 1 1.447 0.003 . 2 . . . . 22 LYS HB3 . 7158 1 270 . 1 1 23 23 LYS HG2 H 1 1.236 0.04 . 2 . . . . 22 LYS HG2 . 7158 1 271 . 1 1 23 23 LYS HG3 H 1 1.083 0.04 . 2 . . . . 22 LYS HG3 . 7158 1 272 . 1 1 23 23 LYS HD2 H 1 1.588 0.04 . 1 . . . . 22 LYS HD2 . 7158 1 273 . 1 1 23 23 LYS HD3 H 1 1.588 0.04 . 1 . . . . 22 LYS HD3 . 7158 1 274 . 1 1 23 23 LYS HE2 H 1 2.917 0.04 . 1 . . . . 22 LYS HE2 . 7158 1 275 . 1 1 23 23 LYS HE3 H 1 2.917 0.04 . 1 . . . . 22 LYS HE3 . 7158 1 276 . 1 1 23 23 LYS C C 13 172.734 0.034 . 1 . . . . 22 LYS C . 7158 1 277 . 1 1 23 23 LYS CA C 13 54.157 0.016 . 1 . . . . 22 LYS CA . 7158 1 278 . 1 1 23 23 LYS CB C 13 35.192 0.003 . 1 . . . . 22 LYS CB . 7158 1 279 . 1 1 23 23 LYS CG C 13 23.679 0.002 . 1 . . . . 22 LYS CG . 7158 1 280 . 1 1 23 23 LYS CD C 13 29.609 0.04 . 1 . . . . 22 LYS CD . 7158 1 281 . 1 1 23 23 LYS CE C 13 42.072 0.04 . 1 . . . . 22 LYS CE . 7158 1 282 . 1 1 23 23 LYS N N 15 119.832 0.004 . 1 . . . . 22 LYS N . 7158 1 283 . 1 1 24 24 CYS H H 1 8.687 0.003 . 1 . . . . 23 CYS H . 7158 1 284 . 1 1 24 24 CYS HA H 1 4.068 0.003 . 1 . . . . 23 CYS HA . 7158 1 285 . 1 1 24 24 CYS HB2 H 1 3.010 0.003 . 2 . . . . 23 CYS HB2 . 7158 1 286 . 1 1 24 24 CYS HB3 H 1 3.193 0.075 . 2 . . . . 23 CYS HB3 . 7158 1 287 . 1 1 24 24 CYS C C 13 176.927 0.003 . 1 . . . . 23 CYS C . 7158 1 288 . 1 1 24 24 CYS CA C 13 59.299 0.034 . 1 . . . . 23 CYS CA . 7158 1 289 . 1 1 24 24 CYS CB C 13 31.211 0.036 . 1 . . . . 23 CYS CB . 7158 1 290 . 1 1 24 24 CYS N N 15 124.823 0.007 . 1 . . . . 23 CYS N . 7158 1 291 . 1 1 25 25 VAL H H 1 8.885 0.004 . 1 . . . . 24 VAL H . 7158 1 292 . 1 1 25 25 VAL HA H 1 3.983 0.002 . 1 . . . . 24 VAL HA . 7158 1 293 . 1 1 25 25 VAL HB H 1 2.162 0.002 . 1 . . . . 24 VAL HB . 7158 1 294 . 1 1 25 25 VAL HG11 H 1 1.010 0.003 . 2 . . . . 24 VAL HG1 . 7158 1 295 . 1 1 25 25 VAL HG12 H 1 1.010 0.003 . 2 . . . . 24 VAL HG1 . 7158 1 296 . 1 1 25 25 VAL HG13 H 1 1.010 0.003 . 2 . . . . 24 VAL HG1 . 7158 1 297 . 1 1 25 25 VAL HG21 H 1 0.956 0.003 . 2 . . . . 24 VAL HG2 . 7158 1 298 . 1 1 25 25 VAL HG22 H 1 0.956 0.003 . 2 . . . . 24 VAL HG2 . 7158 1 299 . 1 1 25 25 VAL HG23 H 1 0.956 0.003 . 2 . . . . 24 VAL HG2 . 7158 1 300 . 1 1 25 25 VAL C C 13 173.484 0.003 . 1 . . . . 24 VAL C . 7158 1 301 . 1 1 25 25 VAL CA C 13 63.666 0.021 . 1 . . . . 24 VAL CA . 7158 1 302 . 1 1 25 25 VAL CB C 13 32.384 0.031 . 1 . . . . 24 VAL CB . 7158 1 303 . 1 1 25 25 VAL CG1 C 13 20.686 0.005 . 1 . . . . 24 VAL CG1 . 7158 1 304 . 1 1 25 25 VAL CG2 C 13 20.046 0.002 . 1 . . . . 24 VAL CG2 . 7158 1 305 . 1 1 25 25 VAL N N 15 129.365 0.016 . 1 . . . . 24 VAL N . 7158 1 306 . 1 1 26 26 ALA H H 1 9.189 0.004 . 1 . . . . 25 ALA H . 7158 1 307 . 1 1 26 26 ALA HA H 1 4.539 0.008 . 1 . . . . 25 ALA HA . 7158 1 308 . 1 1 26 26 ALA HB1 H 1 1.498 0.002 . 1 . . . . 25 ALA HB . 7158 1 309 . 1 1 26 26 ALA HB2 H 1 1.498 0.002 . 1 . . . . 25 ALA HB . 7158 1 310 . 1 1 26 26 ALA HB3 H 1 1.498 0.002 . 1 . . . . 25 ALA HB . 7158 1 311 . 1 1 26 26 ALA C C 13 172.158 0.027 . 1 . . . . 25 ALA C . 7158 1 312 . 1 1 26 26 ALA CA C 13 53.695 0.011 . 1 . . . . 25 ALA CA . 7158 1 313 . 1 1 26 26 ALA CB C 13 21.645 0.037 . 1 . . . . 25 ALA CB . 7158 1 314 . 1 1 26 26 ALA N N 15 127.977 0.009 . 1 . . . . 25 ALA N . 7158 1 315 . 1 1 27 27 CYS H H 1 8.254 0.005 . 1 . . . . 26 CYS H . 7158 1 316 . 1 1 27 27 CYS HA H 1 4.929 0.005 . 1 . . . . 26 CYS HA . 7158 1 317 . 1 1 27 27 CYS HB2 H 1 3.326 0.001 . 2 . . . . 26 CYS HB2 . 7158 1 318 . 1 1 27 27 CYS HB3 H 1 2.618 0.005 . 2 . . . . 26 CYS HB3 . 7158 1 319 . 1 1 27 27 CYS C C 13 175.141 0.047 . 1 . . . . 26 CYS C . 7158 1 320 . 1 1 27 27 CYS CA C 13 58.855 0.022 . 1 . . . . 26 CYS CA . 7158 1 321 . 1 1 27 27 CYS CB C 13 31.746 0.041 . 1 . . . . 26 CYS CB . 7158 1 322 . 1 1 27 27 CYS N N 15 116.982 0.009 . 1 . . . . 26 CYS N . 7158 1 323 . 1 1 28 28 GLU H H 1 7.715 0.003 . 1 . . . . 27 GLU H . 7158 1 324 . 1 1 28 28 GLU HA H 1 4.033 0.002 . 1 . . . . 27 GLU HA . 7158 1 325 . 1 1 28 28 GLU HB2 H 1 2.397 0.006 . 2 . . . . 27 GLU HB2 . 7158 1 326 . 1 1 28 28 GLU HB3 H 1 2.260 0.002 . 2 . . . . 27 GLU HB3 . 7158 1 327 . 1 1 28 28 GLU HG2 H 1 2.105 0.04 . 2 . . . . 27 GLU HG2 . 7158 1 328 . 1 1 28 28 GLU HG3 H 1 2.054 0.04 . 2 . . . . 27 GLU HG3 . 7158 1 329 . 1 1 28 28 GLU C C 13 173.791 0.031 . 1 . . . . 27 GLU C . 7158 1 330 . 1 1 28 28 GLU CA C 13 58.945 0.017 . 1 . . . . 27 GLU CA . 7158 1 331 . 1 1 28 28 GLU CB C 13 27.471 0.014 . 1 . . . . 27 GLU CB . 7158 1 332 . 1 1 28 28 GLU CG C 13 36.966 0.04 . 1 . . . . 27 GLU CG . 7158 1 333 . 1 1 28 28 GLU N N 15 115.979 0.004 . 1 . . . . 27 GLU N . 7158 1 334 . 1 1 29 29 THR H H 1 8.739 0.003 . 1 . . . . 28 THR H . 7158 1 335 . 1 1 29 29 THR HA H 1 4.399 0.001 . 1 . . . . 28 THR HA . 7158 1 336 . 1 1 29 29 THR HB H 1 4.085 0.04 . 1 . . . . 28 THR HB . 7158 1 337 . 1 1 29 29 THR HG21 H 1 1.438 0.04 . 1 . . . . 28 THR HG2 . 7158 1 338 . 1 1 29 29 THR HG22 H 1 1.438 0.04 . 1 . . . . 28 THR HG2 . 7158 1 339 . 1 1 29 29 THR HG23 H 1 1.438 0.04 . 1 . . . . 28 THR HG2 . 7158 1 340 . 1 1 29 29 THR C C 13 172.927 0.04 . 1 . . . . 28 THR C . 7158 1 341 . 1 1 29 29 THR CA C 13 63.563 0.005 . 1 . . . . 28 THR CA . 7158 1 342 . 1 1 29 29 THR CB C 13 68.777 0.004 . 1 . . . . 28 THR CB . 7158 1 343 . 1 1 29 29 THR CG2 C 13 20.665 0.04 . 1 . . . . 28 THR CG2 . 7158 1 344 . 1 1 29 29 THR N N 15 122.897 0.011 . 1 . . . . 28 THR N . 7158 1 345 . 1 1 30 30 PRO HA H 1 4.384 0.006 . 1 . . . . 29 PRO HA . 7158 1 346 . 1 1 30 30 PRO HB2 H 1 2.350 0.002 . 2 . . . . 29 PRO HB2 . 7158 1 347 . 1 1 30 30 PRO HB3 H 1 1.764 0.003 . 2 . . . . 29 PRO HB3 . 7158 1 348 . 1 1 30 30 PRO HG2 H 1 2.119 0.001 . 2 . . . . 29 PRO HG2 . 7158 1 349 . 1 1 30 30 PRO HG3 H 1 1.935 0.004 . 2 . . . . 29 PRO HG3 . 7158 1 350 . 1 1 30 30 PRO HD2 H 1 4.181 0.002 . 2 . . . . 29 PRO HD2 . 7158 1 351 . 1 1 30 30 PRO HD3 H 1 3.744 0.04 . 2 . . . . 29 PRO HD3 . 7158 1 352 . 1 1 30 30 PRO C C 13 174.023 0.034 . 1 . . . . 29 PRO C . 7158 1 353 . 1 1 30 30 PRO CA C 13 63.353 0.009 . 1 . . . . 29 PRO CA . 7158 1 354 . 1 1 30 30 PRO CB C 13 32.563 0.016 . 1 . . . . 29 PRO CB . 7158 1 355 . 1 1 30 30 PRO CG C 13 27.864 0.013 . 1 . . . . 29 PRO CG . 7158 1 356 . 1 1 30 30 PRO CD C 13 51.974 0.04 . 1 . . . . 29 PRO CD . 7158 1 357 . 1 1 31 31 LYS H H 1 7.580 0.004 . 1 . . . . 30 LYS H . 7158 1 358 . 1 1 31 31 LYS HA H 1 3.560 0.002 . 1 . . . . 30 LYS HA . 7158 1 359 . 1 1 31 31 LYS HB2 H 1 0.976 0.004 . 2 . . . . 30 LYS HB2 . 7158 1 360 . 1 1 31 31 LYS HB3 H 1 0.528 0.001 . 2 . . . . 30 LYS HB3 . 7158 1 361 . 1 1 31 31 LYS HG2 H 1 0.857 0.04 . 2 . . . . 30 LYS HG2 . 7158 1 362 . 1 1 31 31 LYS HG3 H 1 -0.673 0.04 . 2 . . . . 30 LYS HG3 . 7158 1 363 . 1 1 31 31 LYS HD2 H 1 0.855 0.04 . 2 . . . . 30 LYS HD2 . 7158 1 364 . 1 1 31 31 LYS HD3 H 1 0.533 0.04 . 2 . . . . 30 LYS HD3 . 7158 1 365 . 1 1 31 31 LYS HE2 H 1 2.109 0.04 . 2 . . . . 30 LYS HE2 . 7158 1 366 . 1 1 31 31 LYS HE3 H 1 2.024 0.04 . 2 . . . . 30 LYS HE3 . 7158 1 367 . 1 1 31 31 LYS C C 13 173.025 0.04 . 1 . . . . 30 LYS C . 7158 1 368 . 1 1 31 31 LYS CA C 13 54.286 0.011 . 1 . . . . 30 LYS CA . 7158 1 369 . 1 1 31 31 LYS CB C 13 33.803 0.018 . 1 . . . . 30 LYS CB . 7158 1 370 . 1 1 31 31 LYS CG C 13 23.050 0.003 . 1 . . . . 30 LYS CG . 7158 1 371 . 1 1 31 31 LYS CD C 13 29.569 0.003 . 1 . . . . 30 LYS CD . 7158 1 372 . 1 1 31 31 LYS CE C 13 41.769 0.002 . 1 . . . . 30 LYS CE . 7158 1 373 . 1 1 31 31 LYS N N 15 125.844 0.006 . 1 . . . . 30 LYS N . 7158 1 374 . 1 1 32 32 PRO HA H 1 4.101 0.001 . 1 . . . . 31 PRO HA . 7158 1 375 . 1 1 32 32 PRO HB2 H 1 2.168 0.002 . 2 . . . . 31 PRO HB2 . 7158 1 376 . 1 1 32 32 PRO HB3 H 1 1.772 0.002 . 2 . . . . 31 PRO HB3 . 7158 1 377 . 1 1 32 32 PRO HG2 H 1 1.961 0.04 . 1 . . . . 31 PRO HG2 . 7158 1 378 . 1 1 32 32 PRO HG3 H 1 1.961 0.04 . 1 . . . . 31 PRO HG3 . 7158 1 379 . 1 1 32 32 PRO HD2 H 1 3.886 0.04 . 2 . . . . 31 PRO HD2 . 7158 1 380 . 1 1 32 32 PRO HD3 H 1 3.169 0.04 . 2 . . . . 31 PRO HD3 . 7158 1 381 . 1 1 32 32 PRO CA C 13 64.857 0.004 . 1 . . . . 31 PRO CA . 7158 1 382 . 1 1 32 32 PRO CB C 13 32.097 0.004 . 1 . . . . 31 PRO CB . 7158 1 383 . 1 1 32 32 PRO CG C 13 27.398 0.04 . 1 . . . . 31 PRO CG . 7158 1 384 . 1 1 32 32 PRO CD C 13 51.081 0.002 . 1 . . . . 31 PRO CD . 7158 1 stop_ save_