################################### # 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 19486 _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 '2D 1H-15N HSQC' . . . 19486 1 3 '3D HNCO' . . . 19486 1 4 '3D CBCA(CO)NH' . . . 19486 1 5 '3D HNCACB' . . . 19486 1 6 '3D H(CCO)NH' . . . 19486 1 7 '3D HCCH-TOCSY' . . . 19486 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 MET HA H 1 4.465 0.002 . 1 . . . A 1 MET HA . 19486 1 2 . 1 1 1 1 MET HB2 H 1 2.012 0.007 . 2 . . . A 1 MET HB2 . 19486 1 3 . 1 1 1 1 MET HB3 H 1 1.901 0.013 . 2 . . . A 1 MET HB3 . 19486 1 4 . 1 1 1 1 MET HG2 H 1 2.497 0.001 . 2 . . . A 1 MET HG2 . 19486 1 5 . 1 1 1 1 MET HG3 H 1 2.432 0.003 . 2 . . . A 1 MET HG3 . 19486 1 6 . 1 1 1 1 MET C C 13 174.830 0.000 . 1 . . . A 1 MET C . 19486 1 7 . 1 1 1 1 MET CA C 13 55.337 0.080 . 1 . . . A 1 MET CA . 19486 1 8 . 1 1 1 1 MET CB C 13 33.168 0.050 . 1 . . . A 1 MET CB . 19486 1 9 . 1 1 1 1 MET CG C 13 31.961 0.043 . 1 . . . A 1 MET CG . 19486 1 10 . 1 1 2 2 GLY H H 1 8.216 0.002 . 1 . . . A 2 GLY H . 19486 1 11 . 1 1 2 2 GLY HA2 H 1 3.707 0.006 . 2 . . . A 2 GLY HA2 . 19486 1 12 . 1 1 2 2 GLY HA3 H 1 3.500 0.005 . 2 . . . A 2 GLY HA3 . 19486 1 13 . 1 1 2 2 GLY C C 13 169.148 0.000 . 1 . . . A 2 GLY C . 19486 1 14 . 1 1 2 2 GLY CA C 13 45.079 0.049 . 1 . . . A 2 GLY CA . 19486 1 15 . 1 1 2 2 GLY N N 15 110.487 0.022 . 1 . . . A 2 GLY N . 19486 1 16 . 1 1 3 3 SER H H 1 7.996 0.011 . 1 . . . A 3 SER H . 19486 1 17 . 1 1 3 3 SER HA H 1 4.357 0.010 . 1 . . . A 3 SER HA . 19486 1 18 . 1 1 3 3 SER HB2 H 1 3.628 0.002 . 1 . . . A 3 SER HB2 . 19486 1 19 . 1 1 3 3 SER HB3 H 1 3.628 0.002 . 1 . . . A 3 SER HB3 . 19486 1 20 . 1 1 3 3 SER C C 13 169.812 0.000 . 1 . . . A 3 SER C . 19486 1 21 . 1 1 3 3 SER CA C 13 58.382 0.195 . 1 . . . A 3 SER CA . 19486 1 22 . 1 1 3 3 SER CB C 13 64.088 0.082 . 1 . . . A 3 SER CB . 19486 1 23 . 1 1 3 3 SER N N 15 114.424 0.018 . 1 . . . A 3 SER N . 19486 1 24 . 1 1 4 4 HIS H H 1 8.315 0.003 . 1 . . . A 4 HIS H . 19486 1 25 . 1 1 4 4 HIS HA H 1 4.608 0.006 . 1 . . . A 4 HIS HA . 19486 1 26 . 1 1 4 4 HIS HB2 H 1 2.953 0.006 . 1 . . . A 4 HIS HB2 . 19486 1 27 . 1 1 4 4 HIS HB3 H 1 2.851 0.008 . 1 . . . A 4 HIS HB3 . 19486 1 28 . 1 1 4 4 HIS C C 13 170.682 0.000 . 1 . . . A 4 HIS C . 19486 1 29 . 1 1 4 4 HIS CA C 13 55.362 0.072 . 1 . . . A 4 HIS CA . 19486 1 30 . 1 1 4 4 HIS CB C 13 30.816 0.048 . 1 . . . A 4 HIS CB . 19486 1 31 . 1 1 4 4 HIS N N 15 122.476 0.030 . 1 . . . A 4 HIS N . 19486 1 32 . 1 1 5 5 LYS H H 1 8.655 0.010 . 1 . . . A 5 LYS H . 19486 1 33 . 1 1 5 5 LYS HA H 1 4.755 0.010 . 1 . . . A 5 LYS HA . 19486 1 34 . 1 1 5 5 LYS HB2 H 1 1.717 0.013 . 2 . . . A 5 LYS HB2 . 19486 1 35 . 1 1 5 5 LYS HB3 H 1 1.520 0.008 . 2 . . . A 5 LYS HB3 . 19486 1 36 . 1 1 5 5 LYS HG2 H 1 1.143 0.006 . 1 . . . A 5 LYS HG2 . 19486 1 37 . 1 1 5 5 LYS HG3 H 1 1.143 0.006 . 1 . . . A 5 LYS HG3 . 19486 1 38 . 1 1 5 5 LYS HD2 H 1 1.549 0.011 . 1 . . . A 5 LYS HD2 . 19486 1 39 . 1 1 5 5 LYS HD3 H 1 1.549 0.011 . 1 . . . A 5 LYS HD3 . 19486 1 40 . 1 1 5 5 LYS HE2 H 1 2.886 0.003 . 1 . . . A 5 LYS HE2 . 19486 1 41 . 1 1 5 5 LYS HE3 H 1 2.886 0.003 . 1 . . . A 5 LYS HE3 . 19486 1 42 . 1 1 5 5 LYS C C 13 172.684 0.000 . 1 . . . A 5 LYS C . 19486 1 43 . 1 1 5 5 LYS CA C 13 55.663 0.090 . 1 . . . A 5 LYS CA . 19486 1 44 . 1 1 5 5 LYS CB C 13 35.248 0.059 . 1 . . . A 5 LYS CB . 19486 1 45 . 1 1 5 5 LYS CG C 13 24.425 0.081 . 1 . . . A 5 LYS CG . 19486 1 46 . 1 1 5 5 LYS CD C 13 29.584 0.157 . 1 . . . A 5 LYS CD . 19486 1 47 . 1 1 5 5 LYS CE C 13 41.994 0.087 . 1 . . . A 5 LYS CE . 19486 1 48 . 1 1 5 5 LYS N N 15 125.975 0.028 . 1 . . . A 5 LYS N . 19486 1 49 . 1 1 6 6 CYS H H 1 9.046 0.014 . 1 . . . A 6 CYS H . 19486 1 50 . 1 1 6 6 CYS HA H 1 4.456 0.005 . 1 . . . A 6 CYS HA . 19486 1 51 . 1 1 6 6 CYS HB2 H 1 2.801 0.012 . 1 . . . A 6 CYS HB2 . 19486 1 52 . 1 1 6 6 CYS HB3 H 1 3.377 0.005 . 1 . . . A 6 CYS HB3 . 19486 1 53 . 1 1 6 6 CYS C C 13 175.723 0.000 . 1 . . . A 6 CYS C . 19486 1 54 . 1 1 6 6 CYS CA C 13 60.218 0.086 . 1 . . . A 6 CYS CA . 19486 1 55 . 1 1 6 6 CYS CB C 13 29.713 0.053 . 1 . . . A 6 CYS CB . 19486 1 56 . 1 1 6 6 CYS N N 15 127.588 0.032 . 1 . . . A 6 CYS N . 19486 1 57 . 1 1 7 7 ASN H H 1 9.075 0.006 . 1 . . . A 7 ASN H . 19486 1 58 . 1 1 7 7 ASN HA H 1 4.608 0.004 . 1 . . . A 7 ASN HA . 19486 1 59 . 1 1 7 7 ASN HB2 H 1 2.915 0.002 . 2 . . . A 7 ASN HB2 . 19486 1 60 . 1 1 7 7 ASN HB3 H 1 2.862 0.006 . 2 . . . A 7 ASN HB3 . 19486 1 61 . 1 1 7 7 ASN C C 13 172.781 0.000 . 1 . . . A 7 ASN C . 19486 1 62 . 1 1 7 7 ASN CA C 13 55.018 0.061 . 1 . . . A 7 ASN CA . 19486 1 63 . 1 1 7 7 ASN CB C 13 38.141 0.044 . 1 . . . A 7 ASN CB . 19486 1 64 . 1 1 7 7 ASN N N 15 128.450 0.038 . 1 . . . A 7 ASN N . 19486 1 65 . 1 1 8 8 VAL H H 1 9.223 0.013 . 1 . . . A 8 VAL H . 19486 1 66 . 1 1 8 8 VAL HA H 1 3.805 0.006 . 1 . . . A 8 VAL HA . 19486 1 67 . 1 1 8 8 VAL HB H 1 1.250 0.008 . 1 . . . A 8 VAL HB . 19486 1 68 . 1 1 8 8 VAL HG11 H 1 0.700 0.004 . 1 . . . A 8 VAL HG11 . 19486 1 69 . 1 1 8 8 VAL HG12 H 1 0.700 0.004 . 1 . . . A 8 VAL HG12 . 19486 1 70 . 1 1 8 8 VAL HG13 H 1 0.700 0.004 . 1 . . . A 8 VAL HG13 . 19486 1 71 . 1 1 8 8 VAL HG21 H 1 0.288 0.012 . 1 . . . A 8 VAL HG21 . 19486 1 72 . 1 1 8 8 VAL HG22 H 1 0.288 0.012 . 1 . . . A 8 VAL HG22 . 19486 1 73 . 1 1 8 8 VAL HG23 H 1 0.288 0.012 . 1 . . . A 8 VAL HG23 . 19486 1 74 . 1 1 8 8 VAL C C 13 176.694 0.000 . 1 . . . A 8 VAL C . 19486 1 75 . 1 1 8 8 VAL CA C 13 65.026 0.096 . 1 . . . A 8 VAL CA . 19486 1 76 . 1 1 8 8 VAL CB C 13 32.962 0.051 . 1 . . . A 8 VAL CB . 19486 1 77 . 1 1 8 8 VAL CG1 C 13 20.946 0.044 . 1 . . . A 8 VAL CG1 . 19486 1 78 . 1 1 8 8 VAL CG2 C 13 20.359 0.036 . 1 . . . A 8 VAL CG2 . 19486 1 79 . 1 1 8 8 VAL N N 15 123.473 0.036 . 1 . . . A 8 VAL N . 19486 1 80 . 1 1 9 9 CYS H H 1 8.457 0.005 . 1 . . . A 9 CYS H . 19486 1 81 . 1 1 9 9 CYS HA H 1 5.159 0.006 . 1 . . . A 9 CYS HA . 19486 1 82 . 1 1 9 9 CYS HB2 H 1 3.462 0.013 . 2 . . . A 9 CYS HB2 . 19486 1 83 . 1 1 9 9 CYS HB3 H 1 2.800 0.008 . 2 . . . A 9 CYS HB3 . 19486 1 84 . 1 1 9 9 CYS C C 13 173.754 0.000 . 1 . . . A 9 CYS C . 19486 1 85 . 1 1 9 9 CYS CA C 13 58.452 0.066 . 1 . . . A 9 CYS CA . 19486 1 86 . 1 1 9 9 CYS CB C 13 32.344 0.089 . 1 . . . A 9 CYS CB . 19486 1 87 . 1 1 9 9 CYS N N 15 118.379 0.023 . 1 . . . A 9 CYS N . 19486 1 88 . 1 1 10 10 SER H H 1 7.910 0.008 . 1 . . . A 10 SER H . 19486 1 89 . 1 1 10 10 SER HA H 1 4.260 0.006 . 1 . . . A 10 SER HA . 19486 1 90 . 1 1 10 10 SER HB2 H 1 4.243 0.009 . 2 . . . A 10 SER HB2 . 19486 1 91 . 1 1 10 10 SER HB3 H 1 3.995 0.009 . 2 . . . A 10 SER HB3 . 19486 1 92 . 1 1 10 10 SER C C 13 169.209 0.000 . 1 . . . A 10 SER C . 19486 1 93 . 1 1 10 10 SER CA C 13 61.286 0.086 . 1 . . . A 10 SER CA . 19486 1 94 . 1 1 10 10 SER CB C 13 62.173 0.089 . 1 . . . A 10 SER CB . 19486 1 95 . 1 1 10 10 SER N N 15 114.054 0.032 . 1 . . . A 10 SER N . 19486 1 96 . 1 1 11 11 ARG H H 1 8.047 0.015 . 1 . . . A 11 ARG H . 19486 1 97 . 1 1 11 11 ARG HA H 1 4.078 0.005 . 1 . . . A 11 ARG HA . 19486 1 98 . 1 1 11 11 ARG HB2 H 1 1.375 0.024 . 1 . . . A 11 ARG HB2 . 19486 1 99 . 1 1 11 11 ARG HB3 H 1 1.375 0.024 . 1 . . . A 11 ARG HB3 . 19486 1 100 . 1 1 11 11 ARG HG2 H 1 1.896 0.005 . 1 . . . A 11 ARG HG2 . 19486 1 101 . 1 1 11 11 ARG HG3 H 1 1.896 0.005 . 1 . . . A 11 ARG HG3 . 19486 1 102 . 1 1 11 11 ARG HD2 H 1 3.159 0.009 . 2 . . . A 11 ARG HD2 . 19486 1 103 . 1 1 11 11 ARG HD3 H 1 2.922 0.008 . 2 . . . A 11 ARG HD3 . 19486 1 104 . 1 1 11 11 ARG C C 13 172.193 0.000 . 1 . . . A 11 ARG C . 19486 1 105 . 1 1 11 11 ARG CA C 13 57.889 0.060 . 1 . . . A 11 ARG CA . 19486 1 106 . 1 1 11 11 ARG CB C 13 31.569 0.061 . 1 . . . A 11 ARG CB . 19486 1 107 . 1 1 11 11 ARG CG C 13 28.402 0.052 . 1 . . . A 11 ARG CG . 19486 1 108 . 1 1 11 11 ARG CD C 13 43.644 0.110 . 1 . . . A 11 ARG CD . 19486 1 109 . 1 1 11 11 ARG N N 15 122.514 0.029 . 1 . . . A 11 ARG N . 19486 1 110 . 1 1 12 12 THR H H 1 7.716 0.006 . 1 . . . A 12 THR H . 19486 1 111 . 1 1 12 12 THR HA H 1 4.896 0.001 . 1 . . . A 12 THR HA . 19486 1 112 . 1 1 12 12 THR HB H 1 3.773 0.006 . 1 . . . A 12 THR HB . 19486 1 113 . 1 1 12 12 THR HG21 H 1 0.946 0.003 . 1 . . . A 12 THR HG21 . 19486 1 114 . 1 1 12 12 THR HG22 H 1 0.946 0.003 . 1 . . . A 12 THR HG22 . 19486 1 115 . 1 1 12 12 THR HG23 H 1 0.946 0.003 . 1 . . . A 12 THR HG23 . 19486 1 116 . 1 1 12 12 THR C C 13 168.910 0.000 . 1 . . . A 12 THR C . 19486 1 117 . 1 1 12 12 THR CA C 13 60.396 0.080 . 1 . . . A 12 THR CA . 19486 1 118 . 1 1 12 12 THR CB C 13 71.239 0.043 . 1 . . . A 12 THR CB . 19486 1 119 . 1 1 12 12 THR CG2 C 13 21.860 0.141 . 1 . . . A 12 THR CG2 . 19486 1 120 . 1 1 12 12 THR N N 15 111.399 0.029 . 1 . . . A 12 THR N . 19486 1 121 . 1 1 13 13 PHE H H 1 8.527 0.011 . 1 . . . A 13 PHE H . 19486 1 122 . 1 1 13 13 PHE HA H 1 4.440 0.001 . 1 . . . A 13 PHE HA . 19486 1 123 . 1 1 13 13 PHE HB2 H 1 3.407 0.007 . 2 . . . A 13 PHE HB2 . 19486 1 124 . 1 1 13 13 PHE HB3 H 1 2.655 0.005 . 2 . . . A 13 PHE HB3 . 19486 1 125 . 1 1 13 13 PHE C C 13 173.256 0.000 . 1 . . . A 13 PHE C . 19486 1 126 . 1 1 13 13 PHE CA C 13 57.579 0.099 . 1 . . . A 13 PHE CA . 19486 1 127 . 1 1 13 13 PHE CB C 13 43.109 0.091 . 1 . . . A 13 PHE CB . 19486 1 128 . 1 1 13 13 PHE N N 15 118.814 0.048 . 1 . . . A 13 PHE N . 19486 1 129 . 1 1 14 14 PHE H H 1 8.975 0.003 . 1 . . . A 14 PHE H . 19486 1 130 . 1 1 14 14 PHE HA H 1 4.800 0.001 . 1 . . . A 14 PHE HA . 19486 1 131 . 1 1 14 14 PHE HB2 H 1 3.399 0.004 . 2 . . . A 14 PHE HB2 . 19486 1 132 . 1 1 14 14 PHE HB3 H 1 3.091 0.003 . 2 . . . A 14 PHE HB3 . 19486 1 133 . 1 1 14 14 PHE C C 13 173.255 0.000 . 1 . . . A 14 PHE C . 19486 1 134 . 1 1 14 14 PHE CA C 13 59.206 0.085 . 1 . . . A 14 PHE CA . 19486 1 135 . 1 1 14 14 PHE CB C 13 39.436 0.065 . 1 . . . A 14 PHE CB . 19486 1 136 . 1 1 14 14 PHE N N 15 119.476 0.039 . 1 . . . A 14 PHE N . 19486 1 137 . 1 1 15 15 SER H H 1 7.813 0.009 . 1 . . . A 15 SER H . 19486 1 138 . 1 1 15 15 SER HA H 1 4.573 0.006 . 1 . . . A 15 SER HA . 19486 1 139 . 1 1 15 15 SER HB2 H 1 4.148 0.002 . 2 . . . A 15 SER HB2 . 19486 1 140 . 1 1 15 15 SER HB3 H 1 3.915 0.004 . 2 . . . A 15 SER HB3 . 19486 1 141 . 1 1 15 15 SER C C 13 169.172 0.000 . 1 . . . A 15 SER C . 19486 1 142 . 1 1 15 15 SER CA C 13 55.948 0.016 . 1 . . . A 15 SER CA . 19486 1 143 . 1 1 15 15 SER CB C 13 67.029 0.121 . 1 . . . A 15 SER CB . 19486 1 144 . 1 1 15 15 SER N N 15 111.316 0.023 . 1 . . . A 15 SER N . 19486 1 145 . 1 1 16 16 GLU H H 1 8.755 0.003 . 1 . . . A 16 GLU H . 19486 1 146 . 1 1 16 16 GLU HA H 1 3.420 0.007 . 1 . . . A 16 GLU HA . 19486 1 147 . 1 1 16 16 GLU HB2 H 1 1.829 0.012 . 1 . . . A 16 GLU HB2 . 19486 1 148 . 1 1 16 16 GLU HB3 H 1 1.829 0.012 . 1 . . . A 16 GLU HB3 . 19486 1 149 . 1 1 16 16 GLU HG2 H 1 2.113 0.003 . 1 . . . A 16 GLU HG2 . 19486 1 150 . 1 1 16 16 GLU HG3 H 1 2.113 0.003 . 1 . . . A 16 GLU HG3 . 19486 1 151 . 1 1 16 16 GLU C C 13 179.932 0.000 . 1 . . . A 16 GLU C . 19486 1 152 . 1 1 16 16 GLU CA C 13 59.294 0.116 . 1 . . . A 16 GLU CA . 19486 1 153 . 1 1 16 16 GLU CB C 13 29.038 0.193 . 1 . . . A 16 GLU CB . 19486 1 154 . 1 1 16 16 GLU CG C 13 36.446 0.008 . 1 . . . A 16 GLU CG . 19486 1 155 . 1 1 16 16 GLU N N 15 123.055 0.031 . 1 . . . A 16 GLU N . 19486 1 156 . 1 1 17 17 ASN H H 1 8.548 0.004 . 1 . . . A 17 ASN H . 19486 1 157 . 1 1 17 17 ASN HA H 1 4.285 0.005 . 1 . . . A 17 ASN HA . 19486 1 158 . 1 1 17 17 ASN HB2 H 1 2.686 0.008 . 1 . . . A 17 ASN HB2 . 19486 1 159 . 1 1 17 17 ASN HB3 H 1 2.686 0.008 . 1 . . . A 17 ASN HB3 . 19486 1 160 . 1 1 17 17 ASN C C 13 177.403 0.000 . 1 . . . A 17 ASN C . 19486 1 161 . 1 1 17 17 ASN CA C 13 56.444 0.074 . 1 . . . A 17 ASN CA . 19486 1 162 . 1 1 17 17 ASN CB C 13 37.954 0.076 . 1 . . . A 17 ASN CB . 19486 1 163 . 1 1 17 17 ASN N N 15 117.537 0.026 . 1 . . . A 17 ASN N . 19486 1 164 . 1 1 18 18 GLY H H 1 8.038 0.010 . 1 . . . A 18 GLY H . 19486 1 165 . 1 1 18 18 GLY HA2 H 1 3.724 0.015 . 1 . . . A 18 GLY HA2 . 19486 1 166 . 1 1 18 18 GLY HA3 H 1 3.898 0.007 . 1 . . . A 18 GLY HA3 . 19486 1 167 . 1 1 18 18 GLY C C 13 175.491 0.000 . 1 . . . A 18 GLY C . 19486 1 168 . 1 1 18 18 GLY CA C 13 46.689 0.124 . 1 . . . A 18 GLY CA . 19486 1 169 . 1 1 18 18 GLY N N 15 108.587 0.060 . 1 . . . A 18 GLY N . 19486 1 170 . 1 1 19 19 LEU H H 1 7.240 0.023 . 1 . . . A 19 LEU H . 19486 1 171 . 1 1 19 19 LEU HA H 1 3.217 0.012 . 1 . . . A 19 LEU HA . 19486 1 172 . 1 1 19 19 LEU HB2 H 1 1.921 0.008 . 1 . . . A 19 LEU HB2 . 19486 1 173 . 1 1 19 19 LEU HB3 H 1 1.256 0.007 . 1 . . . A 19 LEU HB3 . 19486 1 174 . 1 1 19 19 LEU HG H 1 1.505 0.009 . 1 . . . A 19 LEU HG . 19486 1 175 . 1 1 19 19 LEU HD11 H 1 0.991 0.004 . 1 . . . A 19 LEU HD11 . 19486 1 176 . 1 1 19 19 LEU HD12 H 1 0.991 0.004 . 1 . . . A 19 LEU HD12 . 19486 1 177 . 1 1 19 19 LEU HD13 H 1 0.991 0.004 . 1 . . . A 19 LEU HD13 . 19486 1 178 . 1 1 19 19 LEU HD21 H 1 0.936 0.004 . 1 . . . A 19 LEU HD21 . 19486 1 179 . 1 1 19 19 LEU HD22 H 1 0.936 0.004 . 1 . . . A 19 LEU HD22 . 19486 1 180 . 1 1 19 19 LEU HD23 H 1 0.936 0.004 . 1 . . . A 19 LEU HD23 . 19486 1 181 . 1 1 19 19 LEU C C 13 176.975 0.000 . 1 . . . A 19 LEU C . 19486 1 182 . 1 1 19 19 LEU CA C 13 57.774 0.140 . 1 . . . A 19 LEU CA . 19486 1 183 . 1 1 19 19 LEU CB C 13 40.895 0.096 . 1 . . . A 19 LEU CB . 19486 1 184 . 1 1 19 19 LEU CG C 13 27.637 0.064 . 1 . . . A 19 LEU CG . 19486 1 185 . 1 1 19 19 LEU CD1 C 13 26.555 0.085 . 1 . . . A 19 LEU CD1 . 19486 1 186 . 1 1 19 19 LEU CD2 C 13 22.508 0.052 . 1 . . . A 19 LEU CD2 . 19486 1 187 . 1 1 19 19 LEU N N 15 123.120 0.024 . 1 . . . A 19 LEU N . 19486 1 188 . 1 1 20 20 ARG H H 1 8.426 0.009 . 1 . . . A 20 ARG H . 19486 1 189 . 1 1 20 20 ARG HA H 1 3.784 0.005 . 1 . . . A 20 ARG HA . 19486 1 190 . 1 1 20 20 ARG HB2 H 1 1.876 0.006 . 1 . . . A 20 ARG HB2 . 19486 1 191 . 1 1 20 20 ARG HB3 H 1 1.876 0.006 . 1 . . . A 20 ARG HB3 . 19486 1 192 . 1 1 20 20 ARG HG2 H 1 1.745 0.014 . 2 . . . A 20 ARG HG2 . 19486 1 193 . 1 1 20 20 ARG HG3 H 1 1.531 0.018 . 2 . . . A 20 ARG HG3 . 19486 1 194 . 1 1 20 20 ARG HD2 H 1 3.174 0.004 . 1 . . . A 20 ARG HD2 . 19486 1 195 . 1 1 20 20 ARG HD3 H 1 3.174 0.004 . 1 . . . A 20 ARG HD3 . 19486 1 196 . 1 1 20 20 ARG C C 13 181.705 0.000 . 1 . . . A 20 ARG C . 19486 1 197 . 1 1 20 20 ARG CA C 13 60.383 0.080 . 1 . . . A 20 ARG CA . 19486 1 198 . 1 1 20 20 ARG CB C 13 29.927 0.065 . 1 . . . A 20 ARG CB . 19486 1 199 . 1 1 20 20 ARG CG C 13 27.882 0.123 . 1 . . . A 20 ARG CG . 19486 1 200 . 1 1 20 20 ARG CD C 13 43.382 0.030 . 1 . . . A 20 ARG CD . 19486 1 201 . 1 1 20 20 ARG N N 15 119.506 0.046 . 1 . . . A 20 ARG N . 19486 1 202 . 1 1 21 21 GLU H H 1 7.961 0.007 . 1 . . . A 21 GLU H . 19486 1 203 . 1 1 21 21 GLU HA H 1 3.940 0.007 . 1 . . . A 21 GLU HA . 19486 1 204 . 1 1 21 21 GLU HB2 H 1 1.954 0.000 . 1 . . . A 21 GLU HB2 . 19486 1 205 . 1 1 21 21 GLU HB3 H 1 1.923 0.023 . 1 . . . A 21 GLU HB3 . 19486 1 206 . 1 1 21 21 GLU HG2 H 1 2.322 0.014 . 2 . . . A 21 GLU HG2 . 19486 1 207 . 1 1 21 21 GLU HG3 H 1 2.165 0.008 . 2 . . . A 21 GLU HG3 . 19486 1 208 . 1 1 21 21 GLU C C 13 180.973 0.000 . 1 . . . A 21 GLU C . 19486 1 209 . 1 1 21 21 GLU CA C 13 59.155 0.068 . 1 . . . A 21 GLU CA . 19486 1 210 . 1 1 21 21 GLU CB C 13 29.622 0.062 . 1 . . . A 21 GLU CB . 19486 1 211 . 1 1 21 21 GLU CG C 13 36.462 0.050 . 1 . . . A 21 GLU CG . 19486 1 212 . 1 1 21 21 GLU N N 15 117.954 0.022 . 1 . . . A 21 GLU N . 19486 1 213 . 1 1 22 22 HIS H H 1 7.434 0.008 . 1 . . . A 22 HIS H . 19486 1 214 . 1 1 22 22 HIS HA H 1 4.236 0.004 . 1 . . . A 22 HIS HA . 19486 1 215 . 1 1 22 22 HIS HB2 H 1 2.614 0.010 . 1 . . . A 22 HIS HB2 . 19486 1 216 . 1 1 22 22 HIS HB3 H 1 2.878 0.007 . 1 . . . A 22 HIS HB3 . 19486 1 217 . 1 1 22 22 HIS C C 13 179.182 0.000 . 1 . . . A 22 HIS C . 19486 1 218 . 1 1 22 22 HIS CA C 13 58.860 0.159 . 1 . . . A 22 HIS CA . 19486 1 219 . 1 1 22 22 HIS CB C 13 28.259 0.108 . 1 . . . A 22 HIS CB . 19486 1 220 . 1 1 22 22 HIS N N 15 119.084 0.034 . 1 . . . A 22 HIS N . 19486 1 221 . 1 1 23 23 LEU H H 1 8.835 0.008 . 1 . . . A 23 LEU H . 19486 1 222 . 1 1 23 23 LEU HA H 1 3.765 0.004 . 1 . . . A 23 LEU HA . 19486 1 223 . 1 1 23 23 LEU HB2 H 1 1.927 0.011 . 2 . . . A 23 LEU HB2 . 19486 1 224 . 1 1 23 23 LEU HB3 H 1 1.507 0.007 . 2 . . . A 23 LEU HB3 . 19486 1 225 . 1 1 23 23 LEU HG H 1 1.219 0.001 . 1 . . . A 23 LEU HG . 19486 1 226 . 1 1 23 23 LEU HD11 H 1 0.983 0.007 . 1 . . . A 23 LEU HD11 . 19486 1 227 . 1 1 23 23 LEU HD12 H 1 0.983 0.007 . 1 . . . A 23 LEU HD12 . 19486 1 228 . 1 1 23 23 LEU HD13 H 1 0.983 0.007 . 1 . . . A 23 LEU HD13 . 19486 1 229 . 1 1 23 23 LEU HD21 H 1 0.983 0.007 . 1 . . . A 23 LEU HD21 . 19486 1 230 . 1 1 23 23 LEU HD22 H 1 0.983 0.007 . 1 . . . A 23 LEU HD22 . 19486 1 231 . 1 1 23 23 LEU HD23 H 1 0.983 0.007 . 1 . . . A 23 LEU HD23 . 19486 1 232 . 1 1 23 23 LEU C C 13 181.265 0.000 . 1 . . . A 23 LEU C . 19486 1 233 . 1 1 23 23 LEU CA C 13 58.587 0.101 . 1 . . . A 23 LEU CA . 19486 1 234 . 1 1 23 23 LEU CB C 13 41.840 0.063 . 1 . . . A 23 LEU CB . 19486 1 235 . 1 1 23 23 LEU CG C 13 24.830 0.042 . 1 . . . A 23 LEU CG . 19486 1 236 . 1 1 23 23 LEU N N 15 122.153 0.057 . 1 . . . A 23 LEU N . 19486 1 237 . 1 1 24 24 GLN H H 1 7.142 0.007 . 1 . . . A 24 GLN H . 19486 1 238 . 1 1 24 24 GLN HA H 1 4.008 0.007 . 1 . . . A 24 GLN HA . 19486 1 239 . 1 1 24 24 GLN HB2 H 1 2.156 0.003 . 2 . . . A 24 GLN HB2 . 19486 1 240 . 1 1 24 24 GLN HB3 H 1 2.115 0.003 . 2 . . . A 24 GLN HB3 . 19486 1 241 . 1 1 24 24 GLN HG2 H 1 2.510 0.004 . 2 . . . A 24 GLN HG2 . 19486 1 242 . 1 1 24 24 GLN HG3 H 1 2.440 0.004 . 2 . . . A 24 GLN HG3 . 19486 1 243 . 1 1 24 24 GLN C C 13 178.454 0.000 . 1 . . . A 24 GLN C . 19486 1 244 . 1 1 24 24 GLN CA C 13 57.970 0.070 . 1 . . . A 24 GLN CA . 19486 1 245 . 1 1 24 24 GLN CB C 13 28.431 0.060 . 1 . . . A 24 GLN CB . 19486 1 246 . 1 1 24 24 GLN CG C 13 33.667 0.078 . 1 . . . A 24 GLN CG . 19486 1 247 . 1 1 24 24 GLN N N 15 115.740 0.020 . 1 . . . A 24 GLN N . 19486 1 248 . 1 1 25 25 THR H H 1 7.801 0.009 . 1 . . . A 25 THR H . 19486 1 249 . 1 1 25 25 THR HA H 1 4.129 0.010 . 1 . . . A 25 THR HA . 19486 1 250 . 1 1 25 25 THR HB H 1 4.042 0.017 . 1 . . . A 25 THR HB . 19486 1 251 . 1 1 25 25 THR HG21 H 1 1.165 0.007 . 1 . . . A 25 THR HG21 . 19486 1 252 . 1 1 25 25 THR HG22 H 1 1.165 0.007 . 1 . . . A 25 THR HG22 . 19486 1 253 . 1 1 25 25 THR HG23 H 1 1.165 0.007 . 1 . . . A 25 THR HG23 . 19486 1 254 . 1 1 25 25 THR C C 13 173.471 0.000 . 1 . . . A 25 THR C . 19486 1 255 . 1 1 25 25 THR CA C 13 63.754 0.071 . 1 . . . A 25 THR CA . 19486 1 256 . 1 1 25 25 THR CB C 13 69.467 0.150 . 1 . . . A 25 THR CB . 19486 1 257 . 1 1 25 25 THR CG2 C 13 21.014 0.100 . 1 . . . A 25 THR CG2 . 19486 1 258 . 1 1 25 25 THR N N 15 109.376 0.035 . 1 . . . A 25 THR N . 19486 1 259 . 1 1 26 26 HIS H H 1 7.095 0.005 . 1 . . . A 26 HIS H . 19486 1 260 . 1 1 26 26 HIS HA H 1 4.891 0.008 . 1 . . . A 26 HIS HA . 19486 1 261 . 1 1 26 26 HIS HB2 H 1 3.091 0.008 . 1 . . . A 26 HIS HB2 . 19486 1 262 . 1 1 26 26 HIS HB3 H 1 3.334 0.009 . 1 . . . A 26 HIS HB3 . 19486 1 263 . 1 1 26 26 HIS C C 13 171.847 0.000 . 1 . . . A 26 HIS C . 19486 1 264 . 1 1 26 26 HIS CA C 13 55.083 0.073 . 1 . . . A 26 HIS CA . 19486 1 265 . 1 1 26 26 HIS CB C 13 28.686 0.087 . 1 . . . A 26 HIS CB . 19486 1 266 . 1 1 26 26 HIS N N 15 118.158 0.026 . 1 . . . A 26 HIS N . 19486 1 267 . 1 1 27 27 ARG H H 1 7.630 0.006 . 1 . . . A 27 ARG H . 19486 1 268 . 1 1 27 27 ARG HA H 1 4.400 0.003 . 1 . . . A 27 ARG HA . 19486 1 269 . 1 1 27 27 ARG HB2 H 1 1.910 0.007 . 2 . . . A 27 ARG HB2 . 19486 1 270 . 1 1 27 27 ARG HB3 H 1 1.795 0.006 . 2 . . . A 27 ARG HB3 . 19486 1 271 . 1 1 27 27 ARG HG2 H 1 1.661 0.006 . 2 . . . A 27 ARG HG2 . 19486 1 272 . 1 1 27 27 ARG HG3 H 1 1.624 0.002 . 2 . . . A 27 ARG HG3 . 19486 1 273 . 1 1 27 27 ARG HD2 H 1 3.181 0.003 . 1 . . . A 27 ARG HD2 . 19486 1 274 . 1 1 27 27 ARG HD3 H 1 3.181 0.003 . 1 . . . A 27 ARG HD3 . 19486 1 275 . 1 1 27 27 ARG C C 13 175.194 0.000 . 1 . . . A 27 ARG C . 19486 1 276 . 1 1 27 27 ARG CA C 13 56.387 0.089 . 1 . . . A 27 ARG CA . 19486 1 277 . 1 1 27 27 ARG CB C 13 31.260 0.083 . 1 . . . A 27 ARG CB . 19486 1 278 . 1 1 27 27 ARG CG C 13 27.211 0.036 . 1 . . . A 27 ARG CG . 19486 1 279 . 1 1 27 27 ARG CD C 13 43.646 0.097 . 1 . . . A 27 ARG CD . 19486 1 280 . 1 1 27 27 ARG N N 15 120.083 0.027 . 1 . . . A 27 ARG N . 19486 1 281 . 1 1 28 28 GLY H H 1 8.217 0.004 . 1 . . . A 28 GLY H . 19486 1 282 . 1 1 28 28 GLY HA2 H 1 4.125 0.002 . 2 . . . A 28 GLY HA2 . 19486 1 283 . 1 1 28 28 GLY HA3 H 1 4.058 0.006 . 2 . . . A 28 GLY HA3 . 19486 1 284 . 1 1 28 28 GLY CA C 13 44.632 0.056 . 1 . . . A 28 GLY CA . 19486 1 285 . 1 1 28 28 GLY N N 15 109.773 0.035 . 1 . . . A 28 GLY N . 19486 1 286 . 1 1 29 29 PRO HA H 1 4.387 0.004 . 1 . . . A 29 PRO HA . 19486 1 287 . 1 1 29 29 PRO HB2 H 1 2.255 0.003 . 2 . . . A 29 PRO HB2 . 19486 1 288 . 1 1 29 29 PRO HB3 H 1 1.892 0.020 . 2 . . . A 29 PRO HB3 . 19486 1 289 . 1 1 29 29 PRO HG2 H 1 1.966 0.011 . 1 . . . A 29 PRO HG2 . 19486 1 290 . 1 1 29 29 PRO HG3 H 1 1.966 0.011 . 1 . . . A 29 PRO HG3 . 19486 1 291 . 1 1 29 29 PRO HD2 H 1 3.596 0.005 . 1 . . . A 29 PRO HD2 . 19486 1 292 . 1 1 29 29 PRO HD3 H 1 3.596 0.005 . 1 . . . A 29 PRO HD3 . 19486 1 293 . 1 1 29 29 PRO C C 13 176.069 0.000 . 1 . . . A 29 PRO C . 19486 1 294 . 1 1 29 29 PRO CA C 13 63.030 0.074 . 1 . . . A 29 PRO CA . 19486 1 295 . 1 1 29 29 PRO CB C 13 32.227 0.085 . 1 . . . A 29 PRO CB . 19486 1 296 . 1 1 29 29 PRO CG C 13 27.219 0.066 . 1 . . . A 29 PRO CG . 19486 1 297 . 1 1 29 29 PRO CD C 13 49.859 0.074 . 1 . . . A 29 PRO CD . 19486 1 298 . 1 1 30 30 ALA H H 1 8.312 0.006 . 1 . . . A 30 ALA H . 19486 1 299 . 1 1 30 30 ALA HA H 1 4.191 0.008 . 1 . . . A 30 ALA HA . 19486 1 300 . 1 1 30 30 ALA HB1 H 1 1.253 0.010 . 1 . . . A 30 ALA HB1 . 19486 1 301 . 1 1 30 30 ALA HB2 H 1 1.253 0.010 . 1 . . . A 30 ALA HB2 . 19486 1 302 . 1 1 30 30 ALA HB3 H 1 1.253 0.010 . 1 . . . A 30 ALA HB3 . 19486 1 303 . 1 1 30 30 ALA C C 13 177.466 0.000 . 1 . . . A 30 ALA C . 19486 1 304 . 1 1 30 30 ALA CA C 13 52.423 0.060 . 1 . . . A 30 ALA CA . 19486 1 305 . 1 1 30 30 ALA CB C 13 19.185 0.030 . 1 . . . A 30 ALA CB . 19486 1 306 . 1 1 30 30 ALA N N 15 124.277 0.053 . 1 . . . A 30 ALA N . 19486 1 307 . 1 1 31 31 LYS H H 1 8.160 0.006 . 1 . . . A 31 LYS H . 19486 1 308 . 1 1 31 31 LYS HA H 1 4.153 0.002 . 1 . . . A 31 LYS HA . 19486 1 309 . 1 1 31 31 LYS HB2 H 1 1.563 0.000 . 2 . . . A 31 LYS HB2 . 19486 1 310 . 1 1 31 31 LYS HB3 H 1 1.507 0.000 . 2 . . . A 31 LYS HB3 . 19486 1 311 . 1 1 31 31 LYS HG2 H 1 1.278 0.010 . 2 . . . A 31 LYS HG2 . 19486 1 312 . 1 1 31 31 LYS HG3 H 1 1.103 0.006 . 2 . . . A 31 LYS HG3 . 19486 1 313 . 1 1 31 31 LYS HD2 H 1 1.525 0.004 . 1 . . . A 31 LYS HD2 . 19486 1 314 . 1 1 31 31 LYS HD3 H 1 1.525 0.004 . 1 . . . A 31 LYS HD3 . 19486 1 315 . 1 1 31 31 LYS HE2 H 1 2.870 0.006 . 1 . . . A 31 LYS HE2 . 19486 1 316 . 1 1 31 31 LYS HE3 H 1 2.870 0.006 . 1 . . . A 31 LYS HE3 . 19486 1 317 . 1 1 31 31 LYS C C 13 173.444 0.000 . 1 . . . A 31 LYS C . 19486 1 318 . 1 1 31 31 LYS CA C 13 55.970 0.082 . 1 . . . A 31 LYS CA . 19486 1 319 . 1 1 31 31 LYS CB C 13 33.189 0.054 . 1 . . . A 31 LYS CB . 19486 1 320 . 1 1 31 31 LYS CG C 13 24.932 0.072 . 1 . . . A 31 LYS CG . 19486 1 321 . 1 1 31 31 LYS CD C 13 29.199 0.036 . 1 . . . A 31 LYS CD . 19486 1 322 . 1 1 31 31 LYS CE C 13 42.289 0.058 . 1 . . . A 31 LYS CE . 19486 1 323 . 1 1 31 31 LYS N N 15 120.503 0.023 . 1 . . . A 31 LYS N . 19486 1 324 . 1 1 32 32 HIS H H 1 7.888 0.006 . 1 . . . A 32 HIS H . 19486 1 325 . 1 1 32 32 HIS HA H 1 4.642 0.001 . 1 . . . A 32 HIS HA . 19486 1 326 . 1 1 32 32 HIS HB2 H 1 2.829 0.027 . 1 . . . A 32 HIS HB2 . 19486 1 327 . 1 1 32 32 HIS HB3 H 1 2.829 0.027 . 1 . . . A 32 HIS HB3 . 19486 1 328 . 1 1 32 32 HIS C C 13 171.199 0.000 . 1 . . . A 32 HIS C . 19486 1 329 . 1 1 32 32 HIS CA C 13 55.641 0.055 . 1 . . . A 32 HIS CA . 19486 1 330 . 1 1 32 32 HIS CB C 13 32.293 0.040 . 1 . . . A 32 HIS CB . 19486 1 331 . 1 1 32 32 HIS N N 15 118.745 0.024 . 1 . . . A 32 HIS N . 19486 1 332 . 1 1 33 33 TYR H H 1 8.672 0.017 . 1 . . . A 33 TYR H . 19486 1 333 . 1 1 33 33 TYR HA H 1 4.544 0.010 . 1 . . . A 33 TYR HA . 19486 1 334 . 1 1 33 33 TYR HB2 H 1 2.900 0.007 . 2 . . . A 33 TYR HB2 . 19486 1 335 . 1 1 33 33 TYR HB3 H 1 2.824 0.005 . 2 . . . A 33 TYR HB3 . 19486 1 336 . 1 1 33 33 TYR C C 13 172.174 0.000 . 1 . . . A 33 TYR C . 19486 1 337 . 1 1 33 33 TYR CA C 13 57.776 0.118 . 1 . . . A 33 TYR CA . 19486 1 338 . 1 1 33 33 TYR CB C 13 39.394 0.081 . 1 . . . A 33 TYR CB . 19486 1 339 . 1 1 33 33 TYR N N 15 120.158 0.023 . 1 . . . A 33 TYR N . 19486 1 340 . 1 1 34 34 MET H H 1 8.770 0.009 . 1 . . . A 34 MET H . 19486 1 341 . 1 1 34 34 MET HA H 1 5.113 0.005 . 1 . . . A 34 MET HA . 19486 1 342 . 1 1 34 34 MET HB2 H 1 1.929 0.003 . 2 . . . A 34 MET HB2 . 19486 1 343 . 1 1 34 34 MET HB3 H 1 1.760 0.007 . 2 . . . A 34 MET HB3 . 19486 1 344 . 1 1 34 34 MET HG2 H 1 2.276 0.001 . 1 . . . A 34 MET HG2 . 19486 1 345 . 1 1 34 34 MET HG3 H 1 2.276 0.001 . 1 . . . A 34 MET HG3 . 19486 1 346 . 1 1 34 34 MET C C 13 172.661 0.000 . 1 . . . A 34 MET C . 19486 1 347 . 1 1 34 34 MET CA C 13 54.285 0.073 . 1 . . . A 34 MET CA . 19486 1 348 . 1 1 34 34 MET CB C 13 35.606 0.054 . 1 . . . A 34 MET CB . 19486 1 349 . 1 1 34 34 MET CG C 13 31.319 0.104 . 1 . . . A 34 MET CG . 19486 1 350 . 1 1 34 34 MET N N 15 123.629 0.046 . 1 . . . A 34 MET N . 19486 1 351 . 1 1 35 35 CYS H H 1 9.412 0.010 . 1 . . . A 35 CYS H . 19486 1 352 . 1 1 35 35 CYS HA H 1 4.814 0.009 . 1 . . . A 35 CYS HA . 19486 1 353 . 1 1 35 35 CYS HB2 H 1 2.925 0.012 . 1 . . . A 35 CYS HB2 . 19486 1 354 . 1 1 35 35 CYS HB3 H 1 3.473 0.017 . 1 . . . A 35 CYS HB3 . 19486 1 355 . 1 1 35 35 CYS CA C 13 57.229 0.082 . 1 . . . A 35 CYS CA . 19486 1 356 . 1 1 35 35 CYS CB C 13 30.413 0.050 . 1 . . . A 35 CYS CB . 19486 1 357 . 1 1 35 35 CYS N N 15 128.648 0.028 . 1 . . . A 35 CYS N . 19486 1 358 . 1 1 36 36 PRO HA H 1 4.527 0.004 . 1 . . . A 36 PRO HA . 19486 1 359 . 1 1 36 36 PRO HB2 H 1 2.394 0.004 . 2 . . . A 36 PRO HB2 . 19486 1 360 . 1 1 36 36 PRO HB3 H 1 2.087 0.008 . 2 . . . A 36 PRO HB3 . 19486 1 361 . 1 1 36 36 PRO HG2 H 1 2.210 0.003 . 2 . . . A 36 PRO HG2 . 19486 1 362 . 1 1 36 36 PRO HG3 H 1 2.044 0.004 . 2 . . . A 36 PRO HG3 . 19486 1 363 . 1 1 36 36 PRO HD2 H 1 4.283 0.006 . 2 . . . A 36 PRO HD2 . 19486 1 364 . 1 1 36 36 PRO HD3 H 1 4.209 0.002 . 2 . . . A 36 PRO HD3 . 19486 1 365 . 1 1 36 36 PRO C C 13 175.359 0.000 . 1 . . . A 36 PRO C . 19486 1 366 . 1 1 36 36 PRO CA C 13 64.130 0.092 . 1 . . . A 36 PRO CA . 19486 1 367 . 1 1 36 36 PRO CB C 13 32.327 0.079 . 1 . . . A 36 PRO CB . 19486 1 368 . 1 1 36 36 PRO CG C 13 27.157 0.101 . 1 . . . A 36 PRO CG . 19486 1 369 . 1 1 36 36 PRO CD C 13 51.365 0.107 . 1 . . . A 36 PRO CD . 19486 1 370 . 1 1 37 37 ILE H H 1 8.802 0.008 . 1 . . . A 37 ILE H . 19486 1 371 . 1 1 37 37 ILE HA H 1 3.906 0.006 . 1 . . . A 37 ILE HA . 19486 1 372 . 1 1 37 37 ILE HB H 1 1.224 0.011 . 1 . . . A 37 ILE HB . 19486 1 373 . 1 1 37 37 ILE HG12 H 1 1.348 0.004 . 2 . . . A 37 ILE HG12 . 19486 1 374 . 1 1 37 37 ILE HG13 H 1 1.102 0.006 . 2 . . . A 37 ILE HG13 . 19486 1 375 . 1 1 37 37 ILE HG21 H 1 0.277 0.006 . 1 . . . A 37 ILE HG21 . 19486 1 376 . 1 1 37 37 ILE HG22 H 1 0.277 0.006 . 1 . . . A 37 ILE HG22 . 19486 1 377 . 1 1 37 37 ILE HG23 H 1 0.277 0.006 . 1 . . . A 37 ILE HG23 . 19486 1 378 . 1 1 37 37 ILE HD11 H 1 0.712 0.004 . 1 . . . A 37 ILE HD11 . 19486 1 379 . 1 1 37 37 ILE HD12 H 1 0.712 0.004 . 1 . . . A 37 ILE HD12 . 19486 1 380 . 1 1 37 37 ILE HD13 H 1 0.712 0.004 . 1 . . . A 37 ILE HD13 . 19486 1 381 . 1 1 37 37 ILE C C 13 176.316 0.000 . 1 . . . A 37 ILE C . 19486 1 382 . 1 1 37 37 ILE CA C 13 63.160 0.085 . 1 . . . A 37 ILE CA . 19486 1 383 . 1 1 37 37 ILE CB C 13 38.333 0.059 . 1 . . . A 37 ILE CB . 19486 1 384 . 1 1 37 37 ILE CG1 C 13 28.338 0.059 . 1 . . . A 37 ILE CG1 . 19486 1 385 . 1 1 37 37 ILE CG2 C 13 16.204 0.043 . 1 . . . A 37 ILE CG2 . 19486 1 386 . 1 1 37 37 ILE CD1 C 13 12.270 0.078 . 1 . . . A 37 ILE CD1 . 19486 1 387 . 1 1 37 37 ILE N N 15 121.680 0.034 . 1 . . . A 37 ILE N . 19486 1 388 . 1 1 38 38 CYS H H 1 8.070 0.025 . 1 . . . A 38 CYS H . 19486 1 389 . 1 1 38 38 CYS HA H 1 5.137 0.004 . 1 . . . A 38 CYS HA . 19486 1 390 . 1 1 38 38 CYS HB2 H 1 3.504 0.013 . 1 . . . A 38 CYS HB2 . 19486 1 391 . 1 1 38 38 CYS HB3 H 1 2.850 0.006 . 1 . . . A 38 CYS HB3 . 19486 1 392 . 1 1 38 38 CYS C C 13 175.994 0.000 . 1 . . . A 38 CYS C . 19486 1 393 . 1 1 38 38 CYS CA C 13 58.260 0.082 . 1 . . . A 38 CYS CA . 19486 1 394 . 1 1 38 38 CYS CB C 13 32.806 0.047 . 1 . . . A 38 CYS CB . 19486 1 395 . 1 1 38 38 CYS N N 15 115.962 0.041 . 1 . . . A 38 CYS N . 19486 1 396 . 1 1 39 39 GLY H H 1 8.113 0.007 . 1 . . . A 39 GLY H . 19486 1 397 . 1 1 39 39 GLY HA2 H 1 4.214 0.015 . 1 . . . A 39 GLY HA2 . 19486 1 398 . 1 1 39 39 GLY HA3 H 1 3.828 0.006 . 1 . . . A 39 GLY HA3 . 19486 1 399 . 1 1 39 39 GLY C C 13 169.495 0.000 . 1 . . . A 39 GLY C . 19486 1 400 . 1 1 39 39 GLY CA C 13 46.446 0.134 . 1 . . . A 39 GLY CA . 19486 1 401 . 1 1 39 39 GLY N N 15 113.286 0.029 . 1 . . . A 39 GLY N . 19486 1 402 . 1 1 40 40 GLU H H 1 8.119 0.014 . 1 . . . A 40 GLU H . 19486 1 403 . 1 1 40 40 GLU HA H 1 4.028 0.008 . 1 . . . A 40 GLU HA . 19486 1 404 . 1 1 40 40 GLU HB2 H 1 1.822 0.007 . 2 . . . A 40 GLU HB2 . 19486 1 405 . 1 1 40 40 GLU HB3 H 1 1.535 0.006 . 2 . . . A 40 GLU HB3 . 19486 1 406 . 1 1 40 40 GLU HG2 H 1 2.181 0.005 . 2 . . . A 40 GLU HG2 . 19486 1 407 . 1 1 40 40 GLU HG3 H 1 1.989 0.004 . 2 . . . A 40 GLU HG3 . 19486 1 408 . 1 1 40 40 GLU C C 13 171.486 0.000 . 1 . . . A 40 GLU C . 19486 1 409 . 1 1 40 40 GLU CA C 13 57.719 0.115 . 1 . . . A 40 GLU CA . 19486 1 410 . 1 1 40 40 GLU CB C 13 30.434 0.083 . 1 . . . A 40 GLU CB . 19486 1 411 . 1 1 40 40 GLU CG C 13 37.079 0.052 . 1 . . . A 40 GLU CG . 19486 1 412 . 1 1 40 40 GLU N N 15 122.500 0.033 . 1 . . . A 40 GLU N . 19486 1 413 . 1 1 41 41 ARG H H 1 8.051 0.010 . 1 . . . A 41 ARG H . 19486 1 414 . 1 1 41 41 ARG HA H 1 4.938 0.003 . 1 . . . A 41 ARG HA . 19486 1 415 . 1 1 41 41 ARG HB2 H 1 1.507 0.021 . 1 . . . A 41 ARG HB2 . 19486 1 416 . 1 1 41 41 ARG HB3 H 1 1.507 0.021 . 1 . . . A 41 ARG HB3 . 19486 1 417 . 1 1 41 41 ARG HG2 H 1 1.287 0.008 . 1 . . . A 41 ARG HG2 . 19486 1 418 . 1 1 41 41 ARG HG3 H 1 1.287 0.008 . 1 . . . A 41 ARG HG3 . 19486 1 419 . 1 1 41 41 ARG HD2 H 1 2.930 0.001 . 1 . . . A 41 ARG HD2 . 19486 1 420 . 1 1 41 41 ARG HD3 H 1 2.930 0.001 . 1 . . . A 41 ARG HD3 . 19486 1 421 . 1 1 41 41 ARG C C 13 173.428 0.000 . 1 . . . A 41 ARG C . 19486 1 422 . 1 1 41 41 ARG CA C 13 55.153 0.108 . 1 . . . A 41 ARG CA . 19486 1 423 . 1 1 41 41 ARG CB C 13 32.810 0.066 . 1 . . . A 41 ARG CB . 19486 1 424 . 1 1 41 41 ARG CG C 13 28.079 0.056 . 1 . . . A 41 ARG CG . 19486 1 425 . 1 1 41 41 ARG CD C 13 43.415 0.037 . 1 . . . A 41 ARG CD . 19486 1 426 . 1 1 41 41 ARG N N 15 120.904 0.022 . 1 . . . A 41 ARG N . 19486 1 427 . 1 1 42 42 PHE H H 1 8.856 0.006 . 1 . . . A 42 PHE H . 19486 1 428 . 1 1 42 42 PHE HA H 1 4.688 0.010 . 1 . . . A 42 PHE HA . 19486 1 429 . 1 1 42 42 PHE HB2 H 1 2.557 0.006 . 1 . . . A 42 PHE HB2 . 19486 1 430 . 1 1 42 42 PHE HB3 H 1 3.676 0.008 . 1 . . . A 42 PHE HB3 . 19486 1 431 . 1 1 42 42 PHE CA C 13 56.737 0.122 . 1 . . . A 42 PHE CA . 19486 1 432 . 1 1 42 42 PHE CB C 13 41.976 0.074 . 1 . . . A 42 PHE CB . 19486 1 433 . 1 1 42 42 PHE N N 15 119.481 0.043 . 1 . . . A 42 PHE N . 19486 1 434 . 1 1 43 43 PRO HA H 1 4.789 0.009 . 1 . . . A 43 PRO HA . 19486 1 435 . 1 1 43 43 PRO HB2 H 1 2.253 0.017 . 1 . . . A 43 PRO HB2 . 19486 1 436 . 1 1 43 43 PRO HB3 H 1 2.253 0.017 . 1 . . . A 43 PRO HB3 . 19486 1 437 . 1 1 43 43 PRO HG2 H 1 2.061 0.005 . 1 . . . A 43 PRO HG2 . 19486 1 438 . 1 1 43 43 PRO HG3 H 1 2.219 0.004 . 1 . . . A 43 PRO HG3 . 19486 1 439 . 1 1 43 43 PRO HD2 H 1 4.303 0.004 . 1 . . . A 43 PRO HD2 . 19486 1 440 . 1 1 43 43 PRO HD3 H 1 3.753 0.005 . 1 . . . A 43 PRO HD3 . 19486 1 441 . 1 1 43 43 PRO C C 13 174.319 0.000 . 1 . . . A 43 PRO C . 19486 1 442 . 1 1 43 43 PRO CA C 13 63.666 0.068 . 1 . . . A 43 PRO CA . 19486 1 443 . 1 1 43 43 PRO CB C 13 32.803 0.082 . 1 . . . A 43 PRO CB . 19486 1 444 . 1 1 43 43 PRO CG C 13 26.904 0.005 . 1 . . . A 43 PRO CG . 19486 1 445 . 1 1 43 43 PRO CD C 13 51.084 0.093 . 1 . . . A 43 PRO CD . 19486 1 446 . 1 1 44 44 SER H H 1 7.246 0.013 . 1 . . . A 44 SER H . 19486 1 447 . 1 1 44 44 SER HA H 1 4.601 0.006 . 1 . . . A 44 SER HA . 19486 1 448 . 1 1 44 44 SER HB2 H 1 4.131 0.008 . 2 . . . A 44 SER HB2 . 19486 1 449 . 1 1 44 44 SER HB3 H 1 3.933 0.004 . 2 . . . A 44 SER HB3 . 19486 1 450 . 1 1 44 44 SER C C 13 166.956 0.000 . 1 . . . A 44 SER C . 19486 1 451 . 1 1 44 44 SER CA C 13 55.700 0.032 . 1 . . . A 44 SER CA . 19486 1 452 . 1 1 44 44 SER CB C 13 67.018 0.093 . 1 . . . A 44 SER CB . 19486 1 453 . 1 1 44 44 SER N N 15 110.500 0.030 . 1 . . . A 44 SER N . 19486 1 454 . 1 1 45 45 LEU H H 1 8.272 0.011 . 1 . . . A 45 LEU H . 19486 1 455 . 1 1 45 45 LEU HA H 1 3.505 0.006 . 1 . . . A 45 LEU HA . 19486 1 456 . 1 1 45 45 LEU HB2 H 1 1.490 0.007 . 2 . . . A 45 LEU HB2 . 19486 1 457 . 1 1 45 45 LEU HB3 H 1 1.241 0.009 . 2 . . . A 45 LEU HB3 . 19486 1 458 . 1 1 45 45 LEU HG H 1 1.262 0.003 . 1 . . . A 45 LEU HG . 19486 1 459 . 1 1 45 45 LEU HD11 H 1 0.810 0.007 . 2 . . . A 45 LEU HD11 . 19486 1 460 . 1 1 45 45 LEU HD12 H 1 0.810 0.007 . 2 . . . A 45 LEU HD12 . 19486 1 461 . 1 1 45 45 LEU HD13 H 1 0.810 0.007 . 2 . . . A 45 LEU HD13 . 19486 1 462 . 1 1 45 45 LEU HD21 H 1 0.879 0.003 . 2 . . . A 45 LEU HD21 . 19486 1 463 . 1 1 45 45 LEU HD22 H 1 0.879 0.003 . 2 . . . A 45 LEU HD22 . 19486 1 464 . 1 1 45 45 LEU HD23 H 1 0.879 0.003 . 2 . . . A 45 LEU HD23 . 19486 1 465 . 1 1 45 45 LEU C C 13 181.968 0.000 . 1 . . . A 45 LEU C . 19486 1 466 . 1 1 45 45 LEU CA C 13 57.272 0.057 . 1 . . . A 45 LEU CA . 19486 1 467 . 1 1 45 45 LEU CB C 13 41.177 0.061 . 1 . . . A 45 LEU CB . 19486 1 468 . 1 1 45 45 LEU CG C 13 27.051 0.067 . 1 . . . A 45 LEU CG . 19486 1 469 . 1 1 45 45 LEU CD1 C 13 25.088 0.127 . 1 . . . A 45 LEU CD1 . 19486 1 470 . 1 1 45 45 LEU CD2 C 13 23.408 0.055 . 1 . . . A 45 LEU CD2 . 19486 1 471 . 1 1 45 45 LEU N N 15 122.780 0.033 . 1 . . . A 45 LEU N . 19486 1 472 . 1 1 46 46 LEU H H 1 8.289 0.011 . 1 . . . A 46 LEU H . 19486 1 473 . 1 1 46 46 LEU HA H 1 4.034 0.003 . 1 . . . A 46 LEU HA . 19486 1 474 . 1 1 46 46 LEU HB2 H 1 1.606 0.004 . 2 . . . A 46 LEU HB2 . 19486 1 475 . 1 1 46 46 LEU HB3 H 1 1.552 0.003 . 2 . . . A 46 LEU HB3 . 19486 1 476 . 1 1 46 46 LEU HG H 1 1.506 0.004 . 1 . . . A 46 LEU HG . 19486 1 477 . 1 1 46 46 LEU HD11 H 1 0.831 0.004 . 2 . . . A 46 LEU HD11 . 19486 1 478 . 1 1 46 46 LEU HD12 H 1 0.831 0.004 . 2 . . . A 46 LEU HD12 . 19486 1 479 . 1 1 46 46 LEU HD13 H 1 0.831 0.004 . 2 . . . A 46 LEU HD13 . 19486 1 480 . 1 1 46 46 LEU HD21 H 1 0.869 0.005 . 2 . . . A 46 LEU HD21 . 19486 1 481 . 1 1 46 46 LEU HD22 H 1 0.869 0.005 . 2 . . . A 46 LEU HD22 . 19486 1 482 . 1 1 46 46 LEU HD23 H 1 0.869 0.005 . 2 . . . A 46 LEU HD23 . 19486 1 483 . 1 1 46 46 LEU C C 13 180.359 0.000 . 1 . . . A 46 LEU C . 19486 1 484 . 1 1 46 46 LEU CA C 13 58.636 0.104 . 1 . . . A 46 LEU CA . 19486 1 485 . 1 1 46 46 LEU CB C 13 42.115 0.096 . 1 . . . A 46 LEU CB . 19486 1 486 . 1 1 46 46 LEU CG C 13 27.165 0.082 . 1 . . . A 46 LEU CG . 19486 1 487 . 1 1 46 46 LEU CD1 C 13 24.891 0.047 . 1 . . . A 46 LEU CD1 . 19486 1 488 . 1 1 46 46 LEU CD2 C 13 23.951 0.035 . 1 . . . A 46 LEU CD2 . 19486 1 489 . 1 1 46 46 LEU N N 15 121.552 0.033 . 1 . . . A 46 LEU N . 19486 1 490 . 1 1 47 47 THR H H 1 7.456 0.007 . 1 . . . A 47 THR H . 19486 1 491 . 1 1 47 47 THR HA H 1 3.980 0.014 . 1 . . . A 47 THR HA . 19486 1 492 . 1 1 47 47 THR HB H 1 4.278 0.001 . 1 . . . A 47 THR HB . 19486 1 493 . 1 1 47 47 THR HG21 H 1 1.323 0.002 . 1 . . . A 47 THR HG21 . 19486 1 494 . 1 1 47 47 THR HG22 H 1 1.323 0.002 . 1 . . . A 47 THR HG22 . 19486 1 495 . 1 1 47 47 THR HG23 H 1 1.323 0.002 . 1 . . . A 47 THR HG23 . 19486 1 496 . 1 1 47 47 THR C C 13 179.649 0.000 . 1 . . . A 47 THR C . 19486 1 497 . 1 1 47 47 THR CA C 13 65.057 0.071 . 1 . . . A 47 THR CA . 19486 1 498 . 1 1 47 47 THR CB C 13 69.160 0.151 . 1 . . . A 47 THR CB . 19486 1 499 . 1 1 47 47 THR CG2 C 13 23.766 0.098 . 1 . . . A 47 THR CG2 . 19486 1 500 . 1 1 47 47 THR N N 15 109.081 0.020 . 1 . . . A 47 THR N . 19486 1 501 . 1 1 48 48 LEU H H 1 7.582 0.006 . 1 . . . A 48 LEU H . 19486 1 502 . 1 1 48 48 LEU HA H 1 3.269 0.007 . 1 . . . A 48 LEU HA . 19486 1 503 . 1 1 48 48 LEU HB2 H 1 1.407 0.009 . 1 . . . A 48 LEU HB2 . 19486 1 504 . 1 1 48 48 LEU HB3 H 1 1.988 0.005 . 1 . . . A 48 LEU HB3 . 19486 1 505 . 1 1 48 48 LEU HG H 1 1.479 0.006 . 1 . . . A 48 LEU HG . 19486 1 506 . 1 1 48 48 LEU HD11 H 1 1.029 0.015 . 1 . . . A 48 LEU HD11 . 19486 1 507 . 1 1 48 48 LEU HD12 H 1 1.029 0.015 . 1 . . . A 48 LEU HD12 . 19486 1 508 . 1 1 48 48 LEU HD13 H 1 1.029 0.015 . 1 . . . A 48 LEU HD13 . 19486 1 509 . 1 1 48 48 LEU HD21 H 1 0.959 0.014 . 1 . . . A 48 LEU HD21 . 19486 1 510 . 1 1 48 48 LEU HD22 H 1 0.959 0.014 . 1 . . . A 48 LEU HD22 . 19486 1 511 . 1 1 48 48 LEU HD23 H 1 0.959 0.014 . 1 . . . A 48 LEU HD23 . 19486 1 512 . 1 1 48 48 LEU C C 13 178.335 0.000 . 1 . . . A 48 LEU C . 19486 1 513 . 1 1 48 48 LEU CA C 13 58.381 0.126 . 1 . . . A 48 LEU CA . 19486 1 514 . 1 1 48 48 LEU CB C 13 40.867 0.073 . 1 . . . A 48 LEU CB . 19486 1 515 . 1 1 48 48 LEU CG C 13 27.883 0.061 . 1 . . . A 48 LEU CG . 19486 1 516 . 1 1 48 48 LEU CD1 C 13 26.633 0.094 . 1 . . . A 48 LEU CD1 . 19486 1 517 . 1 1 48 48 LEU CD2 C 13 23.107 0.076 . 1 . . . A 48 LEU CD2 . 19486 1 518 . 1 1 48 48 LEU N N 15 124.194 0.032 . 1 . . . A 48 LEU N . 19486 1 519 . 1 1 49 49 THR H H 1 8.558 0.009 . 1 . . . A 49 THR H . 19486 1 520 . 1 1 49 49 THR HA H 1 3.645 0.008 . 1 . . . A 49 THR HA . 19486 1 521 . 1 1 49 49 THR HB H 1 4.324 0.006 . 1 . . . A 49 THR HB . 19486 1 522 . 1 1 49 49 THR HG21 H 1 1.191 0.004 . 1 . . . A 49 THR HG21 . 19486 1 523 . 1 1 49 49 THR HG22 H 1 1.191 0.004 . 1 . . . A 49 THR HG22 . 19486 1 524 . 1 1 49 49 THR HG23 H 1 1.191 0.004 . 1 . . . A 49 THR HG23 . 19486 1 525 . 1 1 49 49 THR C C 13 175.471 0.000 . 1 . . . A 49 THR C . 19486 1 526 . 1 1 49 49 THR CA C 13 67.720 0.109 . 1 . . . A 49 THR CA . 19486 1 527 . 1 1 49 49 THR CB C 13 68.791 0.160 . 1 . . . A 49 THR CB . 19486 1 528 . 1 1 49 49 THR CG2 C 13 21.163 0.069 . 1 . . . A 49 THR CG2 . 19486 1 529 . 1 1 49 49 THR N N 15 117.072 0.022 . 1 . . . A 49 THR N . 19486 1 530 . 1 1 50 50 GLU H H 1 7.966 0.008 . 1 . . . A 50 GLU H . 19486 1 531 . 1 1 50 50 GLU HA H 1 3.929 0.002 . 1 . . . A 50 GLU HA . 19486 1 532 . 1 1 50 50 GLU HB2 H 1 1.925 0.007 . 1 . . . A 50 GLU HB2 . 19486 1 533 . 1 1 50 50 GLU HB3 H 1 1.925 0.007 . 1 . . . A 50 GLU HB3 . 19486 1 534 . 1 1 50 50 GLU HG2 H 1 2.409 0.007 . 2 . . . A 50 GLU HG2 . 19486 1 535 . 1 1 50 50 GLU HG3 H 1 2.132 0.014 . 2 . . . A 50 GLU HG3 . 19486 1 536 . 1 1 50 50 GLU C C 13 179.081 0.000 . 1 . . . A 50 GLU C . 19486 1 537 . 1 1 50 50 GLU CA C 13 59.130 0.133 . 1 . . . A 50 GLU CA . 19486 1 538 . 1 1 50 50 GLU CB C 13 29.684 0.032 . 1 . . . A 50 GLU CB . 19486 1 539 . 1 1 50 50 GLU CG C 13 36.633 0.068 . 1 . . . A 50 GLU CG . 19486 1 540 . 1 1 50 50 GLU N N 15 120.004 0.024 . 1 . . . A 50 GLU N . 19486 1 541 . 1 1 51 51 HIS H H 1 7.377 0.007 . 1 . . . A 51 HIS H . 19486 1 542 . 1 1 51 51 HIS HA H 1 4.249 0.008 . 1 . . . A 51 HIS HA . 19486 1 543 . 1 1 51 51 HIS HB2 H 1 2.613 0.012 . 1 . . . A 51 HIS HB2 . 19486 1 544 . 1 1 51 51 HIS HB3 H 1 2.866 0.005 . 1 . . . A 51 HIS HB3 . 19486 1 545 . 1 1 51 51 HIS C C 13 178.240 0.000 . 1 . . . A 51 HIS C . 19486 1 546 . 1 1 51 51 HIS CA C 13 58.486 0.071 . 1 . . . A 51 HIS CA . 19486 1 547 . 1 1 51 51 HIS CB C 13 28.064 0.036 . 1 . . . A 51 HIS CB . 19486 1 548 . 1 1 51 51 HIS N N 15 117.288 0.020 . 1 . . . A 51 HIS N . 19486 1 549 . 1 1 52 52 LYS H H 1 8.572 0.006 . 1 . . . A 52 LYS H . 19486 1 550 . 1 1 52 52 LYS HA H 1 3.678 0.005 . 1 . . . A 52 LYS HA . 19486 1 551 . 1 1 52 52 LYS HB2 H 1 1.994 0.008 . 1 . . . A 52 LYS HB2 . 19486 1 552 . 1 1 52 52 LYS HB3 H 1 1.994 0.008 . 1 . . . A 52 LYS HB3 . 19486 1 553 . 1 1 52 52 LYS HG2 H 1 1.852 0.018 . 2 . . . A 52 LYS HG2 . 19486 1 554 . 1 1 52 52 LYS HG3 H 1 1.791 0.020 . 2 . . . A 52 LYS HG3 . 19486 1 555 . 1 1 52 52 LYS HD2 H 1 1.763 0.019 . 1 . . . A 52 LYS HD2 . 19486 1 556 . 1 1 52 52 LYS HD3 H 1 1.763 0.019 . 1 . . . A 52 LYS HD3 . 19486 1 557 . 1 1 52 52 LYS HE2 H 1 3.004 0.001 . 2 . . . A 52 LYS HE2 . 19486 1 558 . 1 1 52 52 LYS HE3 H 1 2.966 0.001 . 2 . . . A 52 LYS HE3 . 19486 1 559 . 1 1 52 52 LYS C C 13 178.361 0.000 . 1 . . . A 52 LYS C . 19486 1 560 . 1 1 52 52 LYS CA C 13 60.653 0.132 . 1 . . . A 52 LYS CA . 19486 1 561 . 1 1 52 52 LYS CB C 13 32.460 0.041 . 1 . . . A 52 LYS CB . 19486 1 562 . 1 1 52 52 LYS CG C 13 25.932 0.061 . 1 . . . A 52 LYS CG . 19486 1 563 . 1 1 52 52 LYS CD C 13 29.939 0.041 . 1 . . . A 52 LYS CD . 19486 1 564 . 1 1 52 52 LYS CE C 13 41.862 0.024 . 1 . . . A 52 LYS CE . 19486 1 565 . 1 1 52 52 LYS N N 15 120.729 0.026 . 1 . . . A 52 LYS N . 19486 1 566 . 1 1 53 53 VAL H H 1 6.940 0.006 . 1 . . . A 53 VAL H . 19486 1 567 . 1 1 53 53 VAL HA H 1 4.099 0.006 . 1 . . . A 53 VAL HA . 19486 1 568 . 1 1 53 53 VAL HB H 1 2.292 0.008 . 1 . . . A 53 VAL HB . 19486 1 569 . 1 1 53 53 VAL HG11 H 1 0.992 0.006 . 1 . . . A 53 VAL HG11 . 19486 1 570 . 1 1 53 53 VAL HG12 H 1 0.992 0.006 . 1 . . . A 53 VAL HG12 . 19486 1 571 . 1 1 53 53 VAL HG13 H 1 0.992 0.006 . 1 . . . A 53 VAL HG13 . 19486 1 572 . 1 1 53 53 VAL HG21 H 1 0.974 0.006 . 1 . . . A 53 VAL HG21 . 19486 1 573 . 1 1 53 53 VAL HG22 H 1 0.974 0.006 . 1 . . . A 53 VAL HG22 . 19486 1 574 . 1 1 53 53 VAL HG23 H 1 0.974 0.006 . 1 . . . A 53 VAL HG23 . 19486 1 575 . 1 1 53 53 VAL C C 13 175.078 0.000 . 1 . . . A 53 VAL C . 19486 1 576 . 1 1 53 53 VAL CA C 13 63.440 0.072 . 1 . . . A 53 VAL CA . 19486 1 577 . 1 1 53 53 VAL CB C 13 31.387 0.051 . 1 . . . A 53 VAL CB . 19486 1 578 . 1 1 53 53 VAL CG1 C 13 20.994 0.051 . 1 . . . A 53 VAL CG1 . 19486 1 579 . 1 1 53 53 VAL CG2 C 13 20.019 0.046 . 1 . . . A 53 VAL CG2 . 19486 1 580 . 1 1 53 53 VAL N N 15 112.220 0.030 . 1 . . . A 53 VAL N . 19486 1 581 . 1 1 54 54 THR H H 1 7.581 0.006 . 1 . . . A 54 THR H . 19486 1 582 . 1 1 54 54 THR HA H 1 4.135 0.020 . 1 . . . A 54 THR HA . 19486 1 583 . 1 1 54 54 THR HB H 1 4.096 0.009 . 1 . . . A 54 THR HB . 19486 1 584 . 1 1 54 54 THR HG21 H 1 1.125 0.007 . 1 . . . A 54 THR HG21 . 19486 1 585 . 1 1 54 54 THR HG22 H 1 1.125 0.007 . 1 . . . A 54 THR HG22 . 19486 1 586 . 1 1 54 54 THR HG23 H 1 1.125 0.007 . 1 . . . A 54 THR HG23 . 19486 1 587 . 1 1 54 54 THR C C 13 171.847 0.000 . 1 . . . A 54 THR C . 19486 1 588 . 1 1 54 54 THR CA C 13 63.056 0.144 . 1 . . . A 54 THR CA . 19486 1 589 . 1 1 54 54 THR CB C 13 69.595 0.132 . 1 . . . A 54 THR CB . 19486 1 590 . 1 1 54 54 THR CG2 C 13 21.073 0.110 . 1 . . . A 54 THR CG2 . 19486 1 591 . 1 1 54 54 THR N N 15 110.466 0.031 . 1 . . . A 54 THR N . 19486 1 592 . 1 1 55 55 HIS H H 1 6.960 0.003 . 1 . . . A 55 HIS H . 19486 1 593 . 1 1 55 55 HIS HA H 1 4.497 0.002 . 1 . . . A 55 HIS HA . 19486 1 594 . 1 1 55 55 HIS HB2 H 1 3.014 0.003 . 2 . . . A 55 HIS HB2 . 19486 1 595 . 1 1 55 55 HIS HB3 H 1 3.201 0.005 . 2 . . . A 55 HIS HB3 . 19486 1 596 . 1 1 55 55 HIS CA C 13 57.736 0.069 . 1 . . . A 55 HIS CA . 19486 1 597 . 1 1 55 55 HIS CB C 13 29.907 0.058 . 1 . . . A 55 HIS CB . 19486 1 598 . 1 1 55 55 HIS N N 15 124.770 0.027 . 1 . . . A 55 HIS N . 19486 1 stop_ save_