################################### # 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 16879 _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 3 '3D HNCA' . . . 16879 1 4 '3D CBCA(CO)NH' . . . 16879 1 5 '3D HNCO' . . . 16879 1 6 '3D HNHA' . . . 16879 1 7 '3D HNHB' . . . 16879 1 8 '3D HCCH-TOCSY' . . . 16879 1 9 '3D HCCH-COSY' . . . 16879 1 10 '3D 1H-15N NOESY' . . . 16879 1 11 '3D 1H-13C NOESY' . . . 16879 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 3 3 HIS HA H 1 4.603 0.02 . 1 . . . . 3 H HA . 16879 1 2 . 1 1 3 3 HIS HB2 H 1 3.066 0.02 . 2 . . . . 3 H HB1 . 16879 1 3 . 1 1 3 3 HIS HD2 H 1 7.036 0.02 . 1 . . . . 3 H HD1 . 16879 1 4 . 1 1 3 3 HIS CA C 13 55.682 0.04 . 1 . . . . 3 H CA . 16879 1 5 . 1 1 3 3 HIS CB C 13 30.486 0.04 . 1 . . . . 3 H CB . 16879 1 6 . 1 1 4 4 VAL HA H 1 4.034 0.02 . 1 . . . . 4 V HA . 16879 1 7 . 1 1 4 4 VAL HB H 1 1.971 0.02 . 1 . . . . 4 V HB . 16879 1 8 . 1 1 4 4 VAL HG11 H 1 0.856 0.02 . 1 . . . . 4 V HG11 . 16879 1 9 . 1 1 4 4 VAL HG12 H 1 0.856 0.02 . 1 . . . . 4 V HG11 . 16879 1 10 . 1 1 4 4 VAL HG13 H 1 0.856 0.02 . 1 . . . . 4 V HG11 . 16879 1 11 . 1 1 4 4 VAL CA C 13 61.541 0.04 . 1 . . . . 4 V CA . 16879 1 12 . 1 1 4 4 VAL CB C 13 32.361 0.04 . 1 . . . . 4 V CB . 16879 1 13 . 1 1 4 4 VAL CG1 C 13 20.642 0.04 . 2 . . . . 4 V CG1 . 16879 1 14 . 1 1 8 8 SER HB2 H 1 4.087 0.02 . 2 . . . . 8 S HB1 . 16879 1 15 . 1 1 8 8 SER C C 13 174.156 0.04 . 1 . . . . 8 S C . 16879 1 16 . 1 1 8 8 SER CA C 13 60.560 0.04 . 1 . . . . 8 S CA . 16879 1 17 . 1 1 8 8 SER CB C 13 62.338 0.04 . 1 . . . . 8 S CB . 16879 1 18 . 1 1 9 9 PHE H H 1 6.301 0.02 . 1 . . . . 9 F HN . 16879 1 19 . 1 1 9 9 PHE HA H 1 4.770 0.02 . 1 . . . . 9 F HA . 16879 1 20 . 1 1 9 9 PHE HB2 H 1 2.968 0.02 . 2 . . . . 9 F HB1 . 16879 1 21 . 1 1 9 9 PHE HB3 H 1 3.589 0.02 . 2 . . . . 9 F HB2 . 16879 1 22 . 1 1 9 9 PHE C C 13 174.785 0.04 . 1 . . . . 9 F C . 16879 1 23 . 1 1 9 9 PHE CA C 13 55.096 0.04 . 1 . . . . 9 F CA . 16879 1 24 . 1 1 9 9 PHE CB C 13 38.103 0.04 . 1 . . . . 9 F CB . 16879 1 25 . 1 1 9 9 PHE N N 15 112.795 0.05 . 1 . . . . 9 F N . 16879 1 26 . 1 1 10 10 VAL H H 1 7.170 0.02 . 1 . . . . 10 V HN . 16879 1 27 . 1 1 10 10 VAL HA H 1 4.157 0.02 . 1 . . . . 10 V HA . 16879 1 28 . 1 1 10 10 VAL HB H 1 2.390 0.02 . 1 . . . . 10 V HB . 16879 1 29 . 1 1 10 10 VAL HG11 H 1 1.045 0.02 . 1 . . . . 10 V HG11 . 16879 1 30 . 1 1 10 10 VAL HG12 H 1 1.045 0.02 . 1 . . . . 10 V HG11 . 16879 1 31 . 1 1 10 10 VAL HG13 H 1 1.045 0.02 . 1 . . . . 10 V HG11 . 16879 1 32 . 1 1 10 10 VAL C C 13 174.748 0.04 . 1 . . . . 10 V C . 16879 1 33 . 1 1 10 10 VAL CA C 13 63.182 0.04 . 1 . . . . 10 V CA . 16879 1 34 . 1 1 10 10 VAL CB C 13 32.338 0.04 . 1 . . . . 10 V CB . 16879 1 35 . 1 1 10 10 VAL CG1 C 13 21.580 0.04 . 2 . . . . 10 V CG1 . 16879 1 36 . 1 1 10 10 VAL N N 15 126.857 0.05 . 1 . . . . 10 V N . 16879 1 37 . 1 1 11 11 THR H H 1 9.325 0.02 . 1 . . . . 11 T HN . 16879 1 38 . 1 1 11 11 THR HA H 1 4.855 0.02 . 1 . . . . 11 T HA . 16879 1 39 . 1 1 11 11 THR HB H 1 4.669 0.02 . 1 . . . . 11 T HB . 16879 1 40 . 1 1 11 11 THR HG21 H 1 1.223 0.02 . 1 . . . . 11 T HG21 . 16879 1 41 . 1 1 11 11 THR HG22 H 1 1.223 0.02 . 1 . . . . 11 T HG21 . 16879 1 42 . 1 1 11 11 THR HG23 H 1 1.223 0.02 . 1 . . . . 11 T HG21 . 16879 1 43 . 1 1 11 11 THR C C 13 174.304 0.04 . 1 . . . . 11 T C . 16879 1 44 . 1 1 11 11 THR CA C 13 58.963 0.04 . 1 . . . . 11 T CA . 16879 1 45 . 1 1 11 11 THR CB C 13 71.971 0.04 . 1 . . . . 11 T CB . 16879 1 46 . 1 1 11 11 THR CG2 C 13 20.759 0.04 . 1 . . . . 11 T CG2 . 16879 1 47 . 1 1 11 11 THR N N 15 121.118 0.05 . 1 . . . . 11 T N . 16879 1 48 . 1 1 12 12 GLU H H 1 8.906 0.02 . 1 . . . . 12 E HN . 16879 1 49 . 1 1 12 12 GLU HA H 1 4.154 0.02 . 1 . . . . 12 E HA . 16879 1 50 . 1 1 12 12 GLU HB2 H 1 2.109 0.02 . 2 . . . . 12 E HB1 . 16879 1 51 . 1 1 12 12 GLU HB3 H 1 2.142 0.02 . 2 . . . . 12 E HB2 . 16879 1 52 . 1 1 12 12 GLU HG2 H 1 2.359 0.02 . 2 . . . . 12 E HG1 . 16879 1 53 . 1 1 12 12 GLU C C 13 177.135 0.04 . 1 . . . . 12 E C . 16879 1 54 . 1 1 12 12 GLU CA C 13 58.377 0.04 . 1 . . . . 12 E CA . 16879 1 55 . 1 1 12 12 GLU CB C 13 29.080 0.04 . 1 . . . . 12 E CB . 16879 1 56 . 1 1 12 12 GLU CG C 13 36.111 0.04 . 1 . . . . 12 E CG . 16879 1 57 . 1 1 12 12 GLU N N 15 118.352 0.05 . 1 . . . . 12 E N . 16879 1 58 . 1 1 13 13 ASP H H 1 8.054 0.02 . 1 . . . . 13 D HN . 16879 1 59 . 1 1 13 13 ASP HA H 1 4.897 0.02 . 1 . . . . 13 D HA . 16879 1 60 . 1 1 13 13 ASP HB2 H 1 2.691 0.02 . 2 . . . . 13 D HB1 . 16879 1 61 . 1 1 13 13 ASP HB3 H 1 2.742 0.02 . 2 . . . . 13 D HB2 . 16879 1 62 . 1 1 13 13 ASP C C 13 176.617 0.04 . 1 . . . . 13 D C . 16879 1 63 . 1 1 13 13 ASP CA C 13 54.276 0.04 . 1 . . . . 13 D CA . 16879 1 64 . 1 1 13 13 ASP CB C 13 41.853 0.04 . 1 . . . . 13 D CB . 16879 1 65 . 1 1 13 13 ASP N N 15 114.485 0.05 . 1 . . . . 13 D N . 16879 1 66 . 1 1 14 14 ASN H H 1 7.644 0.02 . 1 . . . . 14 N HN . 16879 1 67 . 1 1 14 14 ASN HA H 1 5.094 0.02 . 1 . . . . 14 N HA . 16879 1 68 . 1 1 14 14 ASN HB2 H 1 2.650 0.02 . 2 . . . . 14 N HB1 . 16879 1 69 . 1 1 14 14 ASN HB3 H 1 3.751 0.02 . 2 . . . . 14 N HB2 . 16879 1 70 . 1 1 14 14 ASN HD21 H 1 7.157 0.02 . 2 . . . . 14 N HD21 . 16879 1 71 . 1 1 14 14 ASN HD22 H 1 7.393 0.02 . 2 . . . . 14 N HD22 . 16879 1 72 . 1 1 14 14 ASN C C 13 174.470 0.04 . 1 . . . . 14 N C . 16879 1 73 . 1 1 14 14 ASN CA C 13 51.346 0.04 . 1 . . . . 14 N CA . 16879 1 74 . 1 1 14 14 ASN CB C 13 37.869 0.04 . 1 . . . . 14 N CB . 16879 1 75 . 1 1 14 14 ASN N N 15 118.244 0.05 . 1 . . . . 14 N N . 16879 1 76 . 1 1 14 14 ASN ND2 N 15 107.614 0.05 . 1 . . . . 14 N ND2 . 16879 1 77 . 1 1 15 15 THR H H 1 7.395 0.02 . 1 . . . . 15 T HN . 16879 1 78 . 1 1 15 15 THR HA H 1 5.715 0.02 . 1 . . . . 15 T HA . 16879 1 79 . 1 1 15 15 THR HB H 1 4.073 0.02 . 1 . . . . 15 T HB . 16879 1 80 . 1 1 15 15 THR HG21 H 1 1.275 0.02 . 1 . . . . 15 T HG21 . 16879 1 81 . 1 1 15 15 THR HG22 H 1 1.275 0.02 . 1 . . . . 15 T HG21 . 16879 1 82 . 1 1 15 15 THR HG23 H 1 1.275 0.02 . 1 . . . . 15 T HG21 . 16879 1 83 . 1 1 15 15 THR C C 13 174.296 0.04 . 1 . . . . 15 T C . 16879 1 84 . 1 1 15 15 THR CA C 13 60.135 0.04 . 1 . . . . 15 T CA . 16879 1 85 . 1 1 15 15 THR CB C 13 71.268 0.04 . 1 . . . . 15 T CB . 16879 1 86 . 1 1 15 15 THR CG2 C 13 21.329 0.04 . 1 . . . . 15 T CG2 . 16879 1 87 . 1 1 15 15 THR N N 15 111.687 0.05 . 1 . . . . 15 T N . 16879 1 88 . 1 1 16 16 PHE H H 1 8.825 0.02 . 1 . . . . 16 F HN . 16879 1 89 . 1 1 16 16 PHE HA H 1 4.945 0.02 . 1 . . . . 16 F HA . 16879 1 90 . 1 1 16 16 PHE HB2 H 1 2.916 0.02 . 2 . . . . 16 F HB1 . 16879 1 91 . 1 1 16 16 PHE HB3 H 1 3.328 0.02 . 2 . . . . 16 F HB2 . 16879 1 92 . 1 1 16 16 PHE HD1 H 1 6.868 0.02 . 3 . . . . 16 F HD1 . 16879 1 93 . 1 1 16 16 PHE HE1 H 1 7.107 0.02 . 3 . . . . 16 F HE1 . 16879 1 94 . 1 1 16 16 PHE C C 13 171.211 0.04 . 1 . . . . 16 F C . 16879 1 95 . 1 1 16 16 PHE CA C 13 55.799 0.04 . 1 . . . . 16 F CA . 16879 1 96 . 1 1 16 16 PHE CB C 13 39.275 0.04 . 1 . . . . 16 F CB . 16879 1 97 . 1 1 16 16 PHE N N 15 121.408 0.05 . 1 . . . . 16 F N . 16879 1 98 . 1 1 17 17 GLU H H 1 8.763 0.02 . 1 . . . . 17 E HN . 16879 1 99 . 1 1 17 17 GLU HA H 1 5.454 0.02 . 1 . . . . 17 E HA . 16879 1 100 . 1 1 17 17 GLU HB2 H 1 1.882 0.02 . 2 . . . . 17 E HB1 . 16879 1 101 . 1 1 17 17 GLU HB3 H 1 2.013 0.02 . 2 . . . . 17 E HB2 . 16879 1 102 . 1 1 17 17 GLU HG2 H 1 2.013 0.02 . 2 . . . . 17 E HG1 . 16879 1 103 . 1 1 17 17 GLU HG3 H 1 2.134 0.02 . 2 . . . . 17 E HG2 . 16879 1 104 . 1 1 17 17 GLU C C 13 175.928 0.04 . 1 . . . . 17 E C . 16879 1 105 . 1 1 17 17 GLU CA C 13 53.807 0.04 . 1 . . . . 17 E CA . 16879 1 106 . 1 1 17 17 GLU CB C 13 32.478 0.04 . 1 . . . . 17 E CB . 16879 1 107 . 1 1 17 17 GLU CG C 13 36.697 0.04 . 1 . . . . 17 E CG . 16879 1 108 . 1 1 17 17 GLU N N 15 122.411 0.05 . 1 . . . . 17 E N . 16879 1 109 . 1 1 18 18 VAL H H 1 9.085 0.02 . 1 . . . . 18 V HN . 16879 1 110 . 1 1 18 18 VAL HA H 1 4.408 0.02 . 1 . . . . 18 V HA . 16879 1 111 . 1 1 18 18 VAL HB H 1 1.864 0.02 . 1 . . . . 18 V HB . 16879 1 112 . 1 1 18 18 VAL HG11 H 1 1.002 0.02 . 1 . . . . 18 V HG11 . 16879 1 113 . 1 1 18 18 VAL HG12 H 1 1.002 0.02 . 1 . . . . 18 V HG11 . 16879 1 114 . 1 1 18 18 VAL HG13 H 1 1.002 0.02 . 1 . . . . 18 V HG11 . 16879 1 115 . 1 1 18 18 VAL HG21 H 1 1.055 0.02 . 1 . . . . 18 V HG21 . 16879 1 116 . 1 1 18 18 VAL HG22 H 1 1.055 0.02 . 1 . . . . 18 V HG21 . 16879 1 117 . 1 1 18 18 VAL HG23 H 1 1.055 0.02 . 1 . . . . 18 V HG21 . 16879 1 118 . 1 1 18 18 VAL C C 13 173.027 0.04 . 1 . . . . 18 V C . 16879 1 119 . 1 1 18 18 VAL CA C 13 61.073 0.04 . 1 . . . . 18 V CA . 16879 1 120 . 1 1 18 18 VAL CB C 13 35.525 0.04 . 1 . . . . 18 V CB . 16879 1 121 . 1 1 18 18 VAL CG1 C 13 20.877 0.04 . 2 . . . . 18 V CG1 . 16879 1 122 . 1 1 18 18 VAL CG2 C 13 22.400 0.04 . 2 . . . . 18 V CG2 . 16879 1 123 . 1 1 18 18 VAL N N 15 125.275 0.05 . 1 . . . . 18 V N . 16879 1 124 . 1 1 19 19 LYS H H 1 8.648 0.02 . 1 . . . . 19 K HN . 16879 1 125 . 1 1 19 19 LYS HA H 1 5.227 0.02 . 1 . . . . 19 K HA . 16879 1 126 . 1 1 19 19 LYS HB2 H 1 1.637 0.02 . 2 . . . . 19 K HB1 . 16879 1 127 . 1 1 19 19 LYS HB3 H 1 1.709 0.02 . 2 . . . . 19 K HB2 . 16879 1 128 . 1 1 19 19 LYS HG2 H 1 1.178 0.02 . 2 . . . . 19 K HG1 . 16879 1 129 . 1 1 19 19 LYS HG3 H 1 1.312 0.02 . 2 . . . . 19 K HG2 . 16879 1 130 . 1 1 19 19 LYS C C 13 175.017 0.04 . 1 . . . . 19 K C . 16879 1 131 . 1 1 19 19 LYS CA C 13 54.744 0.04 . 1 . . . . 19 K CA . 16879 1 132 . 1 1 19 19 LYS CB C 13 33.057 0.04 . 1 . . . . 19 K CB . 16879 1 133 . 1 1 19 19 LYS CG C 13 24.509 0.04 . 1 . . . . 19 K CG . 16879 1 134 . 1 1 19 19 LYS N N 15 128.088 0.05 . 1 . . . . 19 K N . 16879 1 135 . 1 1 20 20 LEU H H 1 8.890 0.02 . 1 . . . . 20 L HN . 16879 1 136 . 1 1 20 20 LEU HA H 1 4.864 0.02 . 1 . . . . 20 L HA . 16879 1 137 . 1 1 20 20 LEU HB2 H 1 1.323 0.02 . 2 . . . . 20 L HB1 . 16879 1 138 . 1 1 20 20 LEU HB3 H 1 1.700 0.02 . 2 . . . . 20 L HB2 . 16879 1 139 . 1 1 20 20 LEU HD11 H 1 1.017 0.02 . 1 . . . . 20 L HD11 . 16879 1 140 . 1 1 20 20 LEU HD12 H 1 1.017 0.02 . 1 . . . . 20 L HD11 . 16879 1 141 . 1 1 20 20 LEU HD13 H 1 1.017 0.02 . 1 . . . . 20 L HD11 . 16879 1 142 . 1 1 20 20 LEU HG H 1 1.461 0.02 . 1 . . . . 20 L HG . 16879 1 143 . 1 1 20 20 LEU C C 13 174.297 0.04 . 1 . . . . 20 L C . 16879 1 144 . 1 1 20 20 LEU CA C 13 52.309 0.04 . 1 . . . . 20 L CA . 16879 1 145 . 1 1 20 20 LEU CB C 13 46.072 0.04 . 1 . . . . 20 L CB . 16879 1 146 . 1 1 20 20 LEU CD1 C 13 23.455 0.04 . 2 . . . . 20 L CD1 . 16879 1 147 . 1 1 20 20 LEU CG C 13 26.619 0.04 . 1 . . . . 20 L CG . 16879 1 148 . 1 1 20 20 LEU N N 15 124.108 0.05 . 1 . . . . 20 L N . 16879 1 149 . 1 1 21 21 PHE H H 1 8.690 0.02 . 1 . . . . 21 F HN . 16879 1 150 . 1 1 21 21 PHE HA H 1 5.123 0.02 . 1 . . . . 21 F HA . 16879 1 151 . 1 1 21 21 PHE HB2 H 1 2.945 0.02 . 2 . . . . 21 F HB1 . 16879 1 152 . 1 1 21 21 PHE HB3 H 1 3.088 0.02 . 2 . . . . 21 F HB2 . 16879 1 153 . 1 1 21 21 PHE HD1 H 1 7.307 0.02 . 3 . . . . 21 F HD1 . 16879 1 154 . 1 1 21 21 PHE C C 13 177.018 0.04 . 1 . . . . 21 F C . 16879 1 155 . 1 1 21 21 PHE CA C 13 56.385 0.04 . 1 . . . . 21 F CA . 16879 1 156 . 1 1 21 21 PHE CB C 13 39.393 0.04 . 1 . . . . 21 F CB . 16879 1 157 . 1 1 21 21 PHE N N 15 122.111 0.05 . 1 . . . . 21 F N . 16879 1 158 . 1 1 22 22 LYS H H 1 8.356 0.02 . 1 . . . . 22 K HN . 16879 1 159 . 1 1 22 22 LYS HA H 1 4.200 0.02 . 1 . . . . 22 K HA . 16879 1 160 . 1 1 22 22 LYS HB2 H 1 1.825 0.02 . 2 . . . . 22 K HB1 . 16879 1 161 . 1 1 22 22 LYS HE2 H 1 2.934 0.02 . 2 . . . . 22 K HE1 . 16879 1 162 . 1 1 22 22 LYS HG2 H 1 1.445 0.02 . 2 . . . . 22 K HG1 . 16879 1 163 . 1 1 22 22 LYS C C 13 176.233 0.04 . 1 . . . . 22 K C . 16879 1 164 . 1 1 22 22 LYS CA C 13 56.502 0.04 . 1 . . . . 22 K CA . 16879 1 165 . 1 1 22 22 LYS CB C 13 33.416 0.04 . 1 . . . . 22 K CB . 16879 1 166 . 1 1 22 22 LYS CG C 13 24.392 0.04 . 1 . . . . 22 K CG . 16879 1 167 . 1 1 22 22 LYS N N 15 122.927 0.05 . 1 . . . . 22 K N . 16879 1 168 . 1 1 23 23 ASN H H 1 8.373 0.02 . 1 . . . . 23 N HN . 16879 1 169 . 1 1 23 23 ASN HA H 1 5.105 0.02 . 1 . . . . 23 N HA . 16879 1 170 . 1 1 23 23 ASN HB2 H 1 3.069 0.02 . 2 . . . . 23 N HB1 . 16879 1 171 . 1 1 23 23 ASN HB3 H 1 3.495 0.02 . 2 . . . . 23 N HB2 . 16879 1 172 . 1 1 23 23 ASN HD21 H 1 7.388 0.02 . 2 . . . . 23 N HD21 . 16879 1 173 . 1 1 23 23 ASN HD22 H 1 7.867 0.02 . 2 . . . . 23 N HD22 . 16879 1 174 . 1 1 23 23 ASN CA C 13 50.994 0.04 . 1 . . . . 23 N CA . 16879 1 175 . 1 1 23 23 ASN CB C 13 38.924 0.04 . 1 . . . . 23 N CB . 16879 1 176 . 1 1 23 23 ASN N N 15 121.232 0.05 . 1 . . . . 23 N N . 16879 1 177 . 1 1 23 23 ASN ND2 N 15 112.188 0.05 . 1 . . . . 23 N ND2 . 16879 1 178 . 1 1 24 24 SER C C 13 172.900 0.04 . 1 . . . . 24 S C . 16879 1 179 . 1 1 24 24 SER CA C 13 61.520 0.04 . 1 . . . . 24 S CA . 16879 1 180 . 1 1 24 24 SER CB C 13 69.398 0.04 . 1 . . . . 24 S CB . 16879 1 181 . 1 1 25 25 SER H H 1 7.812 0.02 . 1 . . . . 25 S HN . 16879 1 182 . 1 1 25 25 SER HA H 1 4.821 0.02 . 1 . . . . 25 S HA . 16879 1 183 . 1 1 25 25 SER HB2 H 1 4.022 0.02 . 2 . . . . 25 S HB1 . 16879 1 184 . 1 1 25 25 SER C C 13 173.675 0.04 . 1 . . . . 25 S C . 16879 1 185 . 1 1 25 25 SER CA C 13 58.643 0.04 . 1 . . . . 25 S CA . 16879 1 186 . 1 1 25 25 SER CB C 13 62.245 0.04 . 1 . . . . 25 S CB . 16879 1 187 . 1 1 25 25 SER N N 15 127.736 0.05 . 1 . . . . 25 S N . 16879 1 188 . 1 1 26 26 GLY H H 1 8.085 0.02 . 1 . . . . 26 G HN . 16879 1 189 . 1 1 26 26 GLY HA2 H 1 3.752 0.02 . 2 . . . . 26 G HA1 . 16879 1 190 . 1 1 26 26 GLY HA3 H 1 4.615 0.02 . 2 . . . . 26 G HA2 . 16879 1 191 . 1 1 26 26 GLY CA C 13 44.900 0.04 . 1 . . . . 26 G CA . 16879 1 192 . 1 1 26 26 GLY N N 15 111.145 0.05 . 1 . . . . 26 G N . 16879 1 193 . 1 1 27 27 LEU HA H 1 4.831 0.02 . 1 . . . . 27 L HA . 16879 1 194 . 1 1 27 27 LEU HB2 H 1 1.519 0.02 . 2 . . . . 27 L HB1 . 16879 1 195 . 1 1 27 27 LEU HD11 H 1 0.991 0.02 . 1 . . . . 27 L HD11 . 16879 1 196 . 1 1 27 27 LEU HD12 H 1 0.991 0.02 . 1 . . . . 27 L HD11 . 16879 1 197 . 1 1 27 27 LEU HD13 H 1 0.991 0.02 . 1 . . . . 27 L HD11 . 16879 1 198 . 1 1 27 27 LEU C C 13 177.355 0.04 . 1 . . . . 27 L C . 16879 1 199 . 1 1 27 27 LEU CA C 13 55.054 0.04 . 1 . . . . 27 L CA . 16879 1 200 . 1 1 27 27 LEU CB C 13 43.372 0.04 . 1 . . . . 27 L CB . 16879 1 201 . 1 1 28 28 GLY H H 1 8.810 0.02 . 1 . . . . 28 G HN . 16879 1 202 . 1 1 28 28 GLY HA2 H 1 4.176 0.02 . 2 . . . . 28 G HA1 . 16879 1 203 . 1 1 28 28 GLY HA3 H 1 4.609 0.02 . 2 . . . . 28 G HA2 . 16879 1 204 . 1 1 28 28 GLY C C 13 174.757 0.04 . 1 . . . . 28 G C . 16879 1 205 . 1 1 28 28 GLY CA C 13 45.955 0.04 . 1 . . . . 28 G CA . 16879 1 206 . 1 1 28 28 GLY N N 15 105.521 0.05 . 1 . . . . 28 G N . 16879 1 207 . 1 1 29 29 PHE H H 1 7.470 0.02 . 1 . . . . 29 F HN . 16879 1 208 . 1 1 29 29 PHE HA H 1 5.097 0.02 . 1 . . . . 29 F HA . 16879 1 209 . 1 1 29 29 PHE HB2 H 1 2.919 0.02 . 2 . . . . 29 F HB1 . 16879 1 210 . 1 1 29 29 PHE HB3 H 1 3.440 0.02 . 2 . . . . 29 F HB2 . 16879 1 211 . 1 1 29 29 PHE HD1 H 1 6.937 0.02 . 3 . . . . 29 F HD1 . 16879 1 212 . 1 1 29 29 PHE HE1 H 1 7.167 0.02 . 3 . . . . 29 F HE1 . 16879 1 213 . 1 1 29 29 PHE C C 13 172.749 0.04 . 1 . . . . 29 F C . 16879 1 214 . 1 1 29 29 PHE CA C 13 55.448 0.04 . 1 . . . . 29 F CA . 16879 1 215 . 1 1 29 29 PHE CB C 13 41.150 0.04 . 1 . . . . 29 F CB . 16879 1 216 . 1 1 29 29 PHE N N 15 117.190 0.05 . 1 . . . . 29 F N . 16879 1 217 . 1 1 30 30 SER H H 1 8.776 0.02 . 1 . . . . 30 S HN . 16879 1 218 . 1 1 30 30 SER HA H 1 5.164 0.02 . 1 . . . . 30 S HA . 16879 1 219 . 1 1 30 30 SER HB2 H 1 3.980 0.02 . 2 . . . . 30 S HB1 . 16879 1 220 . 1 1 30 30 SER C C 13 174.213 0.04 . 1 . . . . 30 S C . 16879 1 221 . 1 1 30 30 SER CA C 13 55.213 0.04 . 1 . . . . 30 S CA . 16879 1 222 . 1 1 30 30 SER CB C 13 65.174 0.04 . 1 . . . . 30 S CB . 16879 1 223 . 1 1 30 30 SER N N 15 116.314 0.05 . 1 . . . . 30 S N . 16879 1 224 . 1 1 31 31 PHE H H 1 8.636 0.02 . 1 . . . . 31 F HN . 16879 1 225 . 1 1 31 31 PHE HA H 1 5.995 0.02 . 1 . . . . 31 F HA . 16879 1 226 . 1 1 31 31 PHE HB2 H 1 2.778 0.02 . 2 . . . . 31 F HB1 . 16879 1 227 . 1 1 31 31 PHE HB3 H 1 3.298 0.02 . 2 . . . . 31 F HB2 . 16879 1 228 . 1 1 31 31 PHE HD1 H 1 7.007 0.02 . 3 . . . . 31 F HD1 . 16879 1 229 . 1 1 31 31 PHE HE1 H 1 7.286 0.02 . 3 . . . . 31 F HE1 . 16879 1 230 . 1 1 31 31 PHE C C 13 172.749 0.04 . 1 . . . . 31 F C . 16879 1 231 . 1 1 31 31 PHE CA C 13 54.979 0.04 . 1 . . . . 31 F CA . 16879 1 232 . 1 1 31 31 PHE CB C 13 42.557 0.04 . 1 . . . . 31 F CB . 16879 1 233 . 1 1 31 31 PHE N N 15 120.000 0.05 . 1 . . . . 31 F N . 16879 1 234 . 1 1 32 32 SER H H 1 9.524 0.02 . 1 . . . . 32 S HN . 16879 1 235 . 1 1 32 32 SER HA H 1 4.833 0.02 . 1 . . . . 32 S HA . 16879 1 236 . 1 1 32 32 SER HB2 H 1 3.662 0.02 . 2 . . . . 32 S HB1 . 16879 1 237 . 1 1 32 32 SER HB3 H 1 3.780 0.02 . 2 . . . . 32 S HB2 . 16879 1 238 . 1 1 32 32 SER C C 13 172.694 0.04 . 1 . . . . 32 S C . 16879 1 239 . 1 1 32 32 SER CA C 13 55.983 0.04 . 1 . . . . 32 S CA . 16879 1 240 . 1 1 32 32 SER CB C 13 65.526 0.04 . 1 . . . . 32 S CB . 16879 1 241 . 1 1 32 32 SER N N 15 116.775 0.05 . 1 . . . . 32 S N . 16879 1 242 . 1 1 33 33 ARG H H 1 9.060 0.02 . 1 . . . . 33 R HN . 16879 1 243 . 1 1 33 33 ARG HA H 1 5.254 0.02 . 1 . . . . 33 R HA . 16879 1 244 . 1 1 33 33 ARG HB2 H 1 2.131 0.02 . 2 . . . . 33 R HB1 . 16879 1 245 . 1 1 33 33 ARG HG2 H 1 1.684 0.02 . 2 . . . . 33 R HG1 . 16879 1 246 . 1 1 33 33 ARG CA C 13 55.096 0.04 . 1 . . . . 33 R CA . 16879 1 247 . 1 1 33 33 ARG N N 15 127.209 0.05 . 1 . . . . 33 R N . 16879 1 248 . 1 1 34 34 GLU H H 1 9.074 0.02 . 1 . . . . 34 E HN . 16879 1 249 . 1 1 34 34 GLU HA H 1 4.899 0.02 . 1 . . . . 34 E HA . 16879 1 250 . 1 1 34 34 GLU HB2 H 1 1.929 0.02 . 2 . . . . 34 E HB1 . 16879 1 251 . 1 1 34 34 GLU HB3 H 1 2.163 0.02 . 2 . . . . 34 E HB2 . 16879 1 252 . 1 1 34 34 GLU HG2 H 1 2.202 0.02 . 2 . . . . 34 E HG1 . 16879 1 253 . 1 1 34 34 GLU C C 13 175.140 0.04 . 1 . . . . 34 E C . 16879 1 254 . 1 1 34 34 GLU CA C 13 54.922 0.04 . 1 . . . . 34 E CA . 16879 1 255 . 1 1 34 34 GLU CB C 13 34.002 0.04 . 1 . . . . 34 E CB . 16879 1 256 . 1 1 35 35 ASP H H 1 8.916 0.02 . 1 . . . . 35 D HN . 16879 1 257 . 1 1 35 35 ASP HA H 1 4.854 0.02 . 1 . . . . 35 D HA . 16879 1 258 . 1 1 35 35 ASP HB2 H 1 3.088 0.02 . 2 . . . . 35 D HB1 . 16879 1 259 . 1 1 35 35 ASP C C 13 175.044 0.04 . 1 . . . . 35 D C . 16879 1 260 . 1 1 35 35 ASP CA C 13 53.104 0.04 . 1 . . . . 35 D CA . 16879 1 261 . 1 1 35 35 ASP CB C 13 42.439 0.04 . 1 . . . . 35 D CB . 16879 1 262 . 1 1 35 35 ASP N N 15 124.170 0.05 . 1 . . . . 35 D N . 16879 1 263 . 1 1 36 36 ASN H H 1 8.735 0.02 . 1 . . . . 36 N HN . 16879 1 264 . 1 1 36 36 ASN HA H 1 4.689 0.02 . 1 . . . . 36 N HA . 16879 1 265 . 1 1 36 36 ASN HB2 H 1 2.775 0.02 . 2 . . . . 36 N HB1 . 16879 1 266 . 1 1 36 36 ASN HB3 H 1 2.949 0.02 . 2 . . . . 36 N HB2 . 16879 1 267 . 1 1 36 36 ASN C C 13 174.655 0.04 . 1 . . . . 36 N C . 16879 1 268 . 1 1 36 36 ASN CA C 13 53.338 0.04 . 1 . . . . 36 N CA . 16879 1 269 . 1 1 36 36 ASN CB C 13 37.752 0.04 . 1 . . . . 36 N CB . 16879 1 270 . 1 1 36 36 ASN N N 15 117.014 0.05 . 1 . . . . 36 N N . 16879 1 271 . 1 1 37 37 LEU H H 1 8.592 0.02 . 1 . . . . 37 L HN . 16879 1 272 . 1 1 37 37 LEU HA H 1 4.216 0.02 . 1 . . . . 37 L HA . 16879 1 273 . 1 1 37 37 LEU HB2 H 1 1.466 0.02 . 2 . . . . 37 L HB1 . 16879 1 274 . 1 1 37 37 LEU HB3 H 1 1.750 0.02 . 2 . . . . 37 L HB2 . 16879 1 275 . 1 1 37 37 LEU HD11 H 1 0.846 0.02 . 1 . . . . 37 L HD11 . 16879 1 276 . 1 1 37 37 LEU HD12 H 1 0.846 0.02 . 1 . . . . 37 L HD11 . 16879 1 277 . 1 1 37 37 LEU HD13 H 1 0.846 0.02 . 1 . . . . 37 L HD11 . 16879 1 278 . 1 1 37 37 LEU HG H 1 1.056 0.02 . 1 . . . . 37 L HG . 16879 1 279 . 1 1 37 37 LEU C C 13 176.728 0.04 . 1 . . . . 37 L C . 16879 1 280 . 1 1 37 37 LEU CA C 13 56.268 0.04 . 1 . . . . 37 L CA . 16879 1 281 . 1 1 37 37 LEU CB C 13 42.791 0.04 . 1 . . . . 37 L CB . 16879 1 282 . 1 1 37 37 LEU CD1 C 13 23.103 0.04 . 2 . . . . 37 L CD1 . 16879 1 283 . 1 1 37 37 LEU N N 15 119.656 0.05 . 1 . . . . 37 L N . 16879 1 284 . 1 1 38 38 ILE H H 1 7.809 0.02 . 1 . . . . 38 I HN . 16879 1 285 . 1 1 38 38 ILE HA H 1 4.643 0.02 . 1 . . . . 38 I HA . 16879 1 286 . 1 1 38 38 ILE HB H 1 2.078 0.02 . 1 . . . . 38 I HB . 16879 1 287 . 1 1 38 38 ILE HD11 H 1 0.996 0.02 . 1 . . . . 38 I HD11 . 16879 1 288 . 1 1 38 38 ILE HD12 H 1 0.996 0.02 . 1 . . . . 38 I HD11 . 16879 1 289 . 1 1 38 38 ILE HD13 H 1 0.996 0.02 . 1 . . . . 38 I HD11 . 16879 1 290 . 1 1 38 38 ILE HG12 H 1 1.522 0.02 . 2 . . . . 38 I HG11 . 16879 1 291 . 1 1 38 38 ILE HG21 H 1 1.025 0.02 . 1 . . . . 38 I HG21 . 16879 1 292 . 1 1 38 38 ILE HG22 H 1 1.025 0.02 . 1 . . . . 38 I HG21 . 16879 1 293 . 1 1 38 38 ILE HG23 H 1 1.025 0.02 . 1 . . . . 38 I HG21 . 16879 1 294 . 1 1 38 38 ILE CA C 13 57.909 0.04 . 1 . . . . 38 I CA . 16879 1 295 . 1 1 38 38 ILE CB C 13 38.692 0.04 . 1 . . . . 38 I CB . 16879 1 296 . 1 1 38 38 ILE CD1 C 13 13.025 0.04 . 1 . . . . 38 I CD1 . 16879 1 297 . 1 1 38 38 ILE CG1 C 13 25.798 0.04 . 1 . . . . 38 I CG1 . 16879 1 298 . 1 1 38 38 ILE CG2 C 13 18.181 0.04 . 1 . . . . 38 I CG2 . 16879 1 299 . 1 1 38 38 ILE N N 15 115.085 0.05 . 1 . . . . 38 I N . 16879 1 300 . 1 1 39 39 PRO HA H 1 4.352 0.02 . 1 . . . . 39 P HA . 16879 1 301 . 1 1 39 39 PRO HB2 H 1 2.388 0.02 . 2 . . . . 39 P HB1 . 16879 1 302 . 1 1 39 39 PRO HD2 H 1 3.790 0.02 . 2 . . . . 39 P HD1 . 16879 1 303 . 1 1 39 39 PRO HD3 H 1 3.860 0.02 . 2 . . . . 39 P HD2 . 16879 1 304 . 1 1 39 39 PRO HG2 H 1 2.001 0.02 . 2 . . . . 39 P HG1 . 16879 1 305 . 1 1 39 39 PRO C C 13 177.005 0.04 . 1 . . . . 39 P C . 16879 1 306 . 1 1 39 39 PRO CA C 13 64.387 0.04 . 1 . . . . 39 P CA . 16879 1 307 . 1 1 39 39 PRO CB C 13 31.311 0.04 . 1 . . . . 39 P CB . 16879 1 308 . 1 1 39 39 PRO CD C 13 50.701 0.04 . 1 . . . . 39 P CD . 16879 1 309 . 1 1 40 40 GLU H H 1 8.654 0.02 . 1 . . . . 40 E HN . 16879 1 310 . 1 1 40 40 GLU HA H 1 4.203 0.02 . 1 . . . . 40 E HA . 16879 1 311 . 1 1 40 40 GLU HB2 H 1 2.184 0.02 . 2 . . . . 40 E HB1 . 16879 1 312 . 1 1 40 40 GLU HG2 H 1 2.313 0.02 . 2 . . . . 40 E HG1 . 16879 1 313 . 1 1 40 40 GLU C C 13 175.821 0.04 . 1 . . . . 40 E C . 16879 1 314 . 1 1 40 40 GLU CA C 13 56.710 0.04 . 1 . . . . 40 E CA . 16879 1 315 . 1 1 40 40 GLU CB C 13 28.494 0.04 . 1 . . . . 40 E CB . 16879 1 316 . 1 1 40 40 GLU CG C 13 36.199 0.04 . 1 . . . . 40 E CG . 16879 1 317 . 1 1 40 40 GLU N N 15 116.078 0.05 . 1 . . . . 40 E N . 16879 1 318 . 1 1 41 41 GLN H H 1 8.077 0.02 . 1 . . . . 41 Q HN . 16879 1 319 . 1 1 41 41 GLN HA H 1 4.532 0.02 . 1 . . . . 41 Q HA . 16879 1 320 . 1 1 41 41 GLN HB2 H 1 1.988 0.02 . 2 . . . . 41 Q HB1 . 16879 1 321 . 1 1 41 41 GLN HB3 H 1 2.272 0.02 . 2 . . . . 41 Q HB2 . 16879 1 322 . 1 1 41 41 GLN HE21 H 1 7.749 0.02 . 2 . . . . 41 Q HE21 . 16879 1 323 . 1 1 41 41 GLN HE22 H 1 7.351 0.02 . 2 . . . . 41 Q HE22 . 16879 1 324 . 1 1 41 41 GLN HG2 H 1 2.408 0.02 . 2 . . . . 41 Q HG1 . 16879 1 325 . 1 1 41 41 GLN C C 13 175.581 0.04 . 1 . . . . 41 Q C . 16879 1 326 . 1 1 41 41 GLN CA C 13 55.448 0.04 . 1 . . . . 41 Q CA . 16879 1 327 . 1 1 41 41 GLN CB C 13 28.884 0.04 . 1 . . . . 41 Q CB . 16879 1 328 . 1 1 41 41 GLN CG C 13 33.416 0.04 . 1 . . . . 41 Q CG . 16879 1 329 . 1 1 41 41 GLN N N 15 120.253 0.05 . 1 . . . . 41 Q N . 16879 1 330 . 1 1 42 42 ILE H H 1 8.296 0.02 . 1 . . . . 42 I HN . 16879 1 331 . 1 1 42 42 ILE HA H 1 4.324 0.02 . 1 . . . . 42 I HA . 16879 1 332 . 1 1 42 42 ILE HB H 1 1.980 0.02 . 1 . . . . 42 I HB . 16879 1 333 . 1 1 42 42 ILE HD11 H 1 0.925 0.02 . 1 . . . . 42 I HD11 . 16879 1 334 . 1 1 42 42 ILE HD12 H 1 0.925 0.02 . 1 . . . . 42 I HD11 . 16879 1 335 . 1 1 42 42 ILE HD13 H 1 0.925 0.02 . 1 . . . . 42 I HD11 . 16879 1 336 . 1 1 42 42 ILE HG12 H 1 1.261 0.02 . 1 . . . . 42 I HG11 . 16879 1 337 . 1 1 42 42 ILE HG13 H 1 1.538 0.02 . 1 . . . . 42 I HG12 . 16879 1 338 . 1 1 42 42 ILE HG21 H 1 0.980 0.02 . 1 . . . . 42 I HG21 . 16879 1 339 . 1 1 42 42 ILE HG22 H 1 0.980 0.02 . 1 . . . . 42 I HG21 . 16879 1 340 . 1 1 42 42 ILE HG23 H 1 0.980 0.02 . 1 . . . . 42 I HG21 . 16879 1 341 . 1 1 42 42 ILE CA C 13 61.073 0.04 . 1 . . . . 42 I CA . 16879 1 342 . 1 1 42 42 ILE CB C 13 38.221 0.04 . 1 . . . . 42 I CB . 16879 1 343 . 1 1 42 42 ILE CD1 C 13 12.908 0.04 . 1 . . . . 42 I CD1 . 16879 1 344 . 1 1 42 42 ILE CG1 C 13 26.853 0.04 . 1 . . . . 42 I CG1 . 16879 1 345 . 1 1 42 42 ILE N N 15 122.044 0.05 . 1 . . . . 42 I N . 16879 1 346 . 1 1 43 43 ASN HA H 1 4.910 0.02 . 1 . . . . 43 N HA . 16879 1 347 . 1 1 43 43 ASN HB2 H 1 2.867 0.02 . 2 . . . . 43 N HB1 . 16879 1 348 . 1 1 43 43 ASN HB3 H 1 2.973 0.02 . 2 . . . . 43 N HB2 . 16879 1 349 . 1 1 43 43 ASN C C 13 174.729 0.04 . 1 . . . . 43 N C . 16879 1 350 . 1 1 43 43 ASN CA C 13 52.987 0.04 . 1 . . . . 43 N CA . 16879 1 351 . 1 1 43 43 ASN CB C 13 38.807 0.04 . 1 . . . . 43 N CB . 16879 1 352 . 1 1 44 44 GLY H H 1 8.324 0.02 . 1 . . . . 44 G HN . 16879 1 353 . 1 1 44 44 GLY HA2 H 1 4.100 0.02 . 2 . . . . 44 G HA1 . 16879 1 354 . 1 1 44 44 GLY HA3 H 1 4.149 0.02 . 2 . . . . 44 G HA2 . 16879 1 355 . 1 1 44 44 GLY C C 13 173.305 0.04 . 1 . . . . 44 G C . 16879 1 356 . 1 1 44 44 GLY CA C 13 44.900 0.04 . 1 . . . . 44 G CA . 16879 1 357 . 1 1 44 44 GLY N N 15 108.509 0.05 . 1 . . . . 44 G N . 16879 1 358 . 1 1 45 45 SER H H 1 8.303 0.02 . 1 . . . . 45 S HN . 16879 1 359 . 1 1 45 45 SER HA H 1 4.638 0.02 . 1 . . . . 45 S HA . 16879 1 360 . 1 1 45 45 SER HB2 H 1 3.757 0.02 . 2 . . . . 45 S HB1 . 16879 1 361 . 1 1 45 45 SER HB3 H 1 3.941 0.02 . 2 . . . . 45 S HB2 . 16879 1 362 . 1 1 45 45 SER C C 13 173.454 0.04 . 1 . . . . 45 S C . 16879 1 363 . 1 1 45 45 SER CA C 13 58.612 0.04 . 1 . . . . 45 S CA . 16879 1 364 . 1 1 45 45 SER CB C 13 63.885 0.04 . 1 . . . . 45 S CB . 16879 1 365 . 1 1 45 45 SER N N 15 116.419 0.05 . 1 . . . . 45 S N . 16879 1 366 . 1 1 46 46 ILE H H 1 8.663 0.02 . 1 . . . . 46 I HN . 16879 1 367 . 1 1 46 46 ILE HA H 1 4.362 0.02 . 1 . . . . 46 I HA . 16879 1 368 . 1 1 46 46 ILE HB H 1 1.666 0.02 . 1 . . . . 46 I HB . 16879 1 369 . 1 1 46 46 ILE HD11 H 1 0.815 0.02 . 1 . . . . 46 I HD11 . 16879 1 370 . 1 1 46 46 ILE HD12 H 1 0.815 0.02 . 1 . . . . 46 I HD11 . 16879 1 371 . 1 1 46 46 ILE HD13 H 1 0.815 0.02 . 1 . . . . 46 I HD11 . 16879 1 372 . 1 1 46 46 ILE HG12 H 1 1.680 0.02 . 2 . . . . 46 I HG11 . 16879 1 373 . 1 1 46 46 ILE HG21 H 1 0.795 0.02 . 1 . . . . 46 I HG21 . 16879 1 374 . 1 1 46 46 ILE HG22 H 1 0.795 0.02 . 1 . . . . 46 I HG21 . 16879 1 375 . 1 1 46 46 ILE HG23 H 1 0.795 0.02 . 1 . . . . 46 I HG21 . 16879 1 376 . 1 1 46 46 ILE C C 13 173.564 0.04 . 1 . . . . 46 I C . 16879 1 377 . 1 1 46 46 ILE CA C 13 60.428 0.04 . 1 . . . . 46 I CA . 16879 1 378 . 1 1 46 46 ILE CB C 13 41.033 0.04 . 1 . . . . 46 I CB . 16879 1 379 . 1 1 46 46 ILE N N 15 122.111 0.05 . 1 . . . . 46 I N . 16879 1 380 . 1 1 47 47 VAL H H 1 9.611 0.02 . 1 . . . . 47 V HN . 16879 1 381 . 1 1 47 47 VAL HA H 1 5.171 0.02 . 1 . . . . 47 V HA . 16879 1 382 . 1 1 47 47 VAL HB H 1 2.145 0.02 . 1 . . . . 47 V HB . 16879 1 383 . 1 1 47 47 VAL HG11 H 1 0.783 0.02 . 1 . . . . 47 V HG11 . 16879 1 384 . 1 1 47 47 VAL HG12 H 1 0.783 0.02 . 1 . . . . 47 V HG11 . 16879 1 385 . 1 1 47 47 VAL HG13 H 1 0.783 0.02 . 1 . . . . 47 V HG11 . 16879 1 386 . 1 1 47 47 VAL HG21 H 1 0.980 0.02 . 1 . . . . 47 V HG21 . 16879 1 387 . 1 1 47 47 VAL HG22 H 1 0.980 0.02 . 1 . . . . 47 V HG21 . 16879 1 388 . 1 1 47 47 VAL HG23 H 1 0.980 0.02 . 1 . . . . 47 V HG21 . 16879 1 389 . 1 1 47 47 VAL C C 13 174.627 0.04 . 1 . . . . 47 V C . 16879 1 390 . 1 1 47 47 VAL CA C 13 60.604 0.04 . 1 . . . . 47 V CA . 16879 1 391 . 1 1 47 47 VAL CB C 13 32.010 0.04 . 1 . . . . 47 V CB . 16879 1 392 . 1 1 47 47 VAL CG1 C 13 21.345 0.04 . 2 . . . . 47 V CG1 . 16879 1 393 . 1 1 47 47 VAL CG2 C 13 21.931 0.04 . 2 . . . . 47 V CG2 . 16879 1 394 . 1 1 47 47 VAL N N 15 131.120 0.05 . 1 . . . . 47 V N . 16879 1 395 . 1 1 48 48 ARG H H 1 8.666 0.02 . 1 . . . . 48 R HN . 16879 1 396 . 1 1 48 48 ARG HA H 1 5.618 0.02 . 1 . . . . 48 R HA . 16879 1 397 . 1 1 48 48 ARG HB2 H 1 1.405 0.02 . 2 . . . . 48 R HB1 . 16879 1 398 . 1 1 48 48 ARG HB3 H 1 1.771 0.02 . 2 . . . . 48 R HB2 . 16879 1 399 . 1 1 48 48 ARG HG2 H 1 1.693 0.02 . 2 . . . . 48 R HG1 . 16879 1 400 . 1 1 48 48 ARG C C 13 175.766 0.04 . 1 . . . . 48 R C . 16879 1 401 . 1 1 48 48 ARG CA C 13 53.104 0.04 . 1 . . . . 48 R CA . 16879 1 402 . 1 1 48 48 ARG CB C 13 36.228 0.04 . 1 . . . . 48 R CB . 16879 1 403 . 1 1 48 48 ARG N N 15 123.797 0.05 . 1 . . . . 48 R N . 16879 1 404 . 1 1 49 49 VAL H H 1 8.705 0.02 . 1 . . . . 49 V HN . 16879 1 405 . 1 1 49 49 VAL HA H 1 3.675 0.02 . 1 . . . . 49 V HA . 16879 1 406 . 1 1 49 49 VAL HB H 1 2.069 0.02 . 1 . . . . 49 V HB . 16879 1 407 . 1 1 49 49 VAL HG11 H 1 0.362 0.02 . 1 . . . . 49 V HG11 . 16879 1 408 . 1 1 49 49 VAL HG12 H 1 0.362 0.02 . 1 . . . . 49 V HG11 . 16879 1 409 . 1 1 49 49 VAL HG13 H 1 0.362 0.02 . 1 . . . . 49 V HG11 . 16879 1 410 . 1 1 49 49 VAL HG21 H 1 0.567 0.02 . 1 . . . . 49 V HG21 . 16879 1 411 . 1 1 49 49 VAL HG22 H 1 0.567 0.02 . 1 . . . . 49 V HG21 . 16879 1 412 . 1 1 49 49 VAL HG23 H 1 0.567 0.02 . 1 . . . . 49 V HG21 . 16879 1 413 . 1 1 49 49 VAL C C 13 174.378 0.04 . 1 . . . . 49 V C . 16879 1 414 . 1 1 49 49 VAL CA C 13 64.002 0.04 . 1 . . . . 49 V CA . 16879 1 415 . 1 1 49 49 VAL CB C 13 31.072 0.04 . 1 . . . . 49 V CB . 16879 1 416 . 1 1 49 49 VAL CG1 C 13 19.587 0.04 . 2 . . . . 49 V CG1 . 16879 1 417 . 1 1 49 49 VAL CG2 C 13 20.759 0.04 . 2 . . . . 49 V CG2 . 16879 1 418 . 1 1 49 49 VAL N N 15 121.415 0.05 . 1 . . . . 49 V N . 16879 1 419 . 1 1 50 50 LYS H H 1 9.208 0.02 . 1 . . . . 50 K HN . 16879 1 420 . 1 1 50 50 LYS HA H 1 4.514 0.02 . 1 . . . . 50 K HA . 16879 1 421 . 1 1 50 50 LYS HB2 H 1 1.562 0.02 . 2 . . . . 50 K HB1 . 16879 1 422 . 1 1 50 50 LYS HB3 H 1 1.725 0.02 . 2 . . . . 50 K HB2 . 16879 1 423 . 1 1 50 50 LYS HD2 H 1 1.680 0.02 . 2 . . . . 50 K HD1 . 16879 1 424 . 1 1 50 50 LYS HE2 H 1 2.930 0.02 . 2 . . . . 50 K HE1 . 16879 1 425 . 1 1 50 50 LYS HG2 H 1 1.287 0.02 . 2 . . . . 50 K HG1 . 16879 1 426 . 1 1 50 50 LYS HG3 H 1 1.319 0.02 . 2 . . . . 50 K HG2 . 16879 1 427 . 1 1 50 50 LYS C C 13 173.841 0.04 . 1 . . . . 50 K C . 16879 1 428 . 1 1 50 50 LYS CA C 13 56.737 0.04 . 1 . . . . 50 K CA . 16879 1 429 . 1 1 50 50 LYS CB C 13 33.885 0.04 . 1 . . . . 50 K CB . 16879 1 430 . 1 1 50 50 LYS CD C 13 28.962 0.04 . 1 . . . . 50 K CD . 16879 1 431 . 1 1 50 50 LYS CE C 13 41.736 0.04 . 1 . . . . 50 K CE . 16879 1 432 . 1 1 50 50 LYS CG C 13 24.158 0.04 . 1 . . . . 50 K CG . 16879 1 433 . 1 1 50 50 LYS N N 15 131.853 0.05 . 1 . . . . 50 K N . 16879 1 434 . 1 1 51 51 LYS H H 1 7.242 0.02 . 1 . . . . 51 K HN . 16879 1 435 . 1 1 51 51 LYS HA H 1 4.329 0.02 . 1 . . . . 51 K HA . 16879 1 436 . 1 1 51 51 LYS HB2 H 1 1.664 0.02 . 2 . . . . 51 K HB1 . 16879 1 437 . 1 1 51 51 LYS HD2 H 1 2.022 0.02 . 2 . . . . 51 K HD1 . 16879 1 438 . 1 1 51 51 LYS HG2 H 1 1.070 0.02 . 2 . . . . 51 K HG1 . 16879 1 439 . 1 1 51 51 LYS HG3 H 1 1.320 0.02 . 2 . . . . 51 K HG2 . 16879 1 440 . 1 1 51 51 LYS C C 13 173.638 0.04 . 1 . . . . 51 K C . 16879 1 441 . 1 1 51 51 LYS CA C 13 55.565 0.04 . 1 . . . . 51 K CA . 16879 1 442 . 1 1 51 51 LYS CB C 13 35.642 0.04 . 1 . . . . 51 K CB . 16879 1 443 . 1 1 51 51 LYS CG C 13 24.627 0.04 . 1 . . . . 51 K CG . 16879 1 444 . 1 1 51 51 LYS N N 15 117.541 0.05 . 1 . . . . 51 K N . 16879 1 445 . 1 1 52 52 LEU H H 1 8.676 0.02 . 1 . . . . 52 L HN . 16879 1 446 . 1 1 52 52 LEU HA H 1 4.632 0.02 . 1 . . . . 52 L HA . 16879 1 447 . 1 1 52 52 LEU HB2 H 1 1.287 0.02 . 2 . . . . 52 L HB1 . 16879 1 448 . 1 1 52 52 LEU HB3 H 1 1.772 0.02 . 2 . . . . 52 L HB2 . 16879 1 449 . 1 1 52 52 LEU HD11 H 1 0.705 0.02 . 1 . . . . 52 L HD11 . 16879 1 450 . 1 1 52 52 LEU HD12 H 1 0.705 0.02 . 1 . . . . 52 L HD11 . 16879 1 451 . 1 1 52 52 LEU HD13 H 1 0.705 0.02 . 1 . . . . 52 L HD11 . 16879 1 452 . 1 1 52 52 LEU HD21 H 1 0.921 0.02 . 1 . . . . 52 L HD21 . 16879 1 453 . 1 1 52 52 LEU HD22 H 1 0.921 0.02 . 1 . . . . 52 L HD21 . 16879 1 454 . 1 1 52 52 LEU HD23 H 1 0.921 0.02 . 1 . . . . 52 L HD21 . 16879 1 455 . 1 1 52 52 LEU HG H 1 0.708 0.02 . 1 . . . . 52 L HG . 16879 1 456 . 1 1 52 52 LEU C C 13 175.655 0.04 . 1 . . . . 52 L C . 16879 1 457 . 1 1 52 52 LEU CA C 13 52.844 0.04 . 1 . . . . 52 L CA . 16879 1 458 . 1 1 52 52 LEU CB C 13 43.846 0.04 . 1 . . . . 52 L CB . 16879 1 459 . 1 1 52 52 LEU CD1 C 13 24.627 0.04 . 2 . . . . 52 L CD1 . 16879 1 460 . 1 1 52 52 LEU CD2 C 13 26.033 0.04 . 2 . . . . 52 L CD2 . 16879 1 461 . 1 1 52 52 LEU N N 15 124.855 0.05 . 1 . . . . 52 L N . 16879 1 462 . 1 1 53 53 PHE H H 1 7.575 0.02 . 1 . . . . 53 F HN . 16879 1 463 . 1 1 53 53 PHE HA H 1 5.150 0.02 . 1 . . . . 53 F HA . 16879 1 464 . 1 1 53 53 PHE HB2 H 1 2.631 0.02 . 2 . . . . 53 F HB1 . 16879 1 465 . 1 1 53 53 PHE HB3 H 1 3.384 0.02 . 2 . . . . 53 F HB2 . 16879 1 466 . 1 1 53 53 PHE CA C 13 53.338 0.04 . 1 . . . . 53 F CA . 16879 1 467 . 1 1 53 53 PHE CB C 13 37.049 0.04 . 1 . . . . 53 F CB . 16879 1 468 . 1 1 53 53 PHE N N 15 122.994 0.05 . 1 . . . . 53 F N . 16879 1 469 . 1 1 54 54 PRO HA H 1 4.824 0.02 . 1 . . . . 54 P HA . 16879 1 470 . 1 1 54 54 PRO HB2 H 1 2.401 0.02 . 2 . . . . 54 P HB1 . 16879 1 471 . 1 1 54 54 PRO HD2 H 1 3.952 0.02 . 2 . . . . 54 P HD1 . 16879 1 472 . 1 1 54 54 PRO HD3 H 1 4.204 0.02 . 2 . . . . 54 P HD2 . 16879 1 473 . 1 1 54 54 PRO HG2 H 1 2.068 0.02 . 2 . . . . 54 P HG1 . 16879 1 474 . 1 1 54 54 PRO HG3 H 1 2.239 0.02 . 2 . . . . 54 P HG2 . 16879 1 475 . 1 1 54 54 PRO C C 13 177.616 0.04 . 1 . . . . 54 P C . 16879 1 476 . 1 1 54 54 PRO CA C 13 63.671 0.04 . 1 . . . . 54 P CA . 16879 1 477 . 1 1 54 54 PRO CB C 13 31.421 0.04 . 1 . . . . 54 P CB . 16879 1 478 . 1 1 54 54 PRO CD C 13 50.887 0.04 . 1 . . . . 54 P CD . 16879 1 479 . 1 1 54 54 PRO CG C 13 27.322 0.04 . 1 . . . . 54 P CG . 16879 1 480 . 1 1 55 55 GLY H H 1 9.414 0.02 . 1 . . . . 55 G HN . 16879 1 481 . 1 1 55 55 GLY HA2 H 1 3.900 0.02 . 2 . . . . 55 G HA1 . 16879 1 482 . 1 1 55 55 GLY HA3 H 1 4.170 0.02 . 2 . . . . 55 G HA2 . 16879 1 483 . 1 1 55 55 GLY C C 13 173.120 0.04 . 1 . . . . 55 G C . 16879 1 484 . 1 1 55 55 GLY CA C 13 45.128 0.04 . 1 . . . . 55 G CA . 16879 1 485 . 1 1 55 55 GLY N N 15 111.421 0.05 . 1 . . . . 55 G N . 16879 1 486 . 1 1 56 56 GLN H H 1 7.282 0.02 . 1 . . . . 56 Q HN . 16879 1 487 . 1 1 56 56 GLN HA H 1 4.838 0.02 . 1 . . . . 56 Q HA . 16879 1 488 . 1 1 56 56 GLN HB2 H 1 2.557 0.02 . 2 . . . . 56 Q HB1 . 16879 1 489 . 1 1 56 56 GLN CA C 13 53.707 0.04 . 1 . . . . 56 Q CA . 16879 1 490 . 1 1 56 56 GLN N N 15 119.240 0.05 . 1 . . . . 56 Q N . 16879 1 491 . 1 1 57 57 PRO HA H 1 4.324 0.02 . 1 . . . . 57 P HA . 16879 1 492 . 1 1 57 57 PRO HB2 H 1 2.136 0.02 . 2 . . . . 57 P HB1 . 16879 1 493 . 1 1 57 57 PRO HB3 H 1 2.651 0.02 . 2 . . . . 57 P HB2 . 16879 1 494 . 1 1 57 57 PRO C C 13 179.080 0.04 . 1 . . . . 57 P C . 16879 1 495 . 1 1 57 57 PRO CA C 13 67.284 0.04 . 1 . . . . 57 P CA . 16879 1 496 . 1 1 57 57 PRO CB C 13 32.010 0.04 . 1 . . . . 57 P CB . 16879 1 497 . 1 1 58 58 ALA H H 1 8.446 0.02 . 1 . . . . 58 A HN . 16879 1 498 . 1 1 58 58 ALA HA H 1 4.112 0.02 . 1 . . . . 58 A HA . 16879 1 499 . 1 1 58 58 ALA HB1 H 1 1.471 0.02 . 1 . . . . 58 A HB1 . 16879 1 500 . 1 1 58 58 ALA HB2 H 1 1.471 0.02 . 1 . . . . 58 A HB1 . 16879 1 501 . 1 1 58 58 ALA HB3 H 1 1.471 0.02 . 1 . . . . 58 A HB1 . 16879 1 502 . 1 1 58 58 ALA C C 13 180.124 0.04 . 1 . . . . 58 A C . 16879 1 503 . 1 1 58 58 ALA CA C 13 55.682 0.04 . 1 . . . . 58 A CA . 16879 1 504 . 1 1 58 58 ALA CB C 13 18.650 0.04 . 1 . . . . 58 A CB . 16879 1 505 . 1 1 58 58 ALA N N 15 119.299 0.05 . 1 . . . . 58 A N . 16879 1 506 . 1 1 59 59 ALA H H 1 10.300 0.02 . 1 . . . . 59 A HN . 16879 1 507 . 1 1 59 59 ALA HA H 1 4.174 0.02 . 1 . . . . 59 A HA . 16879 1 508 . 1 1 59 59 ALA HB1 H 1 1.622 0.02 . 1 . . . . 59 A HB1 . 16879 1 509 . 1 1 59 59 ALA HB2 H 1 1.622 0.02 . 1 . . . . 59 A HB1 . 16879 1 510 . 1 1 59 59 ALA HB3 H 1 1.622 0.02 . 1 . . . . 59 A HB1 . 16879 1 511 . 1 1 59 59 ALA C C 13 179.874 0.04 . 1 . . . . 59 A C . 16879 1 512 . 1 1 59 59 ALA CA C 13 54.862 0.04 . 1 . . . . 59 A CA . 16879 1 513 . 1 1 59 59 ALA CB C 13 18.884 0.04 . 1 . . . . 59 A CB . 16879 1 514 . 1 1 59 59 ALA N N 15 127.332 0.05 . 1 . . . . 59 A N . 16879 1 515 . 1 1 60 60 GLU H H 1 8.428 0.02 . 1 . . . . 60 E HN . 16879 1 516 . 1 1 60 60 GLU HA H 1 4.095 0.02 . 1 . . . . 60 E HA . 16879 1 517 . 1 1 60 60 GLU HB2 H 1 2.030 0.02 . 2 . . . . 60 E HB1 . 16879 1 518 . 1 1 60 60 GLU HB3 H 1 2.144 0.02 . 2 . . . . 60 E HB2 . 16879 1 519 . 1 1 60 60 GLU HG2 H 1 2.214 0.02 . 2 . . . . 60 E HG1 . 16879 1 520 . 1 1 60 60 GLU HG3 H 1 2.303 0.02 . 2 . . . . 60 E HG2 . 16879 1 521 . 1 1 60 60 GLU C C 13 177.986 0.04 . 1 . . . . 60 E C . 16879 1 522 . 1 1 60 60 GLU CA C 13 57.909 0.04 . 1 . . . . 60 E CA . 16879 1 523 . 1 1 60 60 GLU CB C 13 29.549 0.04 . 1 . . . . 60 E CB . 16879 1 524 . 1 1 60 60 GLU CG C 13 36.697 0.04 . 1 . . . . 60 E CG . 16879 1 525 . 1 1 60 60 GLU N N 15 117.303 0.05 . 1 . . . . 60 E N . 16879 1 526 . 1 1 61 61 SER H H 1 7.836 0.02 . 1 . . . . 61 S HN . 16879 1 527 . 1 1 61 61 SER HA H 1 4.288 0.02 . 1 . . . . 61 S HA . 16879 1 528 . 1 1 61 61 SER HB2 H 1 4.115 0.02 . 2 . . . . 61 S HB1 . 16879 1 529 . 1 1 61 61 SER C C 13 175.433 0.04 . 1 . . . . 61 S C . 16879 1 530 . 1 1 61 61 SER CA C 13 60.838 0.04 . 1 . . . . 61 S CA . 16879 1 531 . 1 1 61 61 SER CB C 13 63.885 0.04 . 1 . . . . 61 S CB . 16879 1 532 . 1 1 61 61 SER N N 15 113.796 0.05 . 1 . . . . 61 S N . 16879 1 533 . 1 1 62 62 GLY H H 1 7.364 0.02 . 1 . . . . 62 G HN . 16879 1 534 . 1 1 62 62 GLY HA2 H 1 4.005 0.02 . 2 . . . . 62 G HA1 . 16879 1 535 . 1 1 62 62 GLY HA3 H 1 4.190 0.02 . 2 . . . . 62 G HA2 . 16879 1 536 . 1 1 62 62 GLY C C 13 174.378 0.04 . 1 . . . . 62 G C . 16879 1 537 . 1 1 62 62 GLY CA C 13 46.424 0.04 . 1 . . . . 62 G CA . 16879 1 538 . 1 1 62 62 GLY N N 15 109.462 0.05 . 1 . . . . 62 G N . 16879 1 539 . 1 1 63 63 LYS H H 1 7.855 0.02 . 1 . . . . 63 K HN . 16879 1 540 . 1 1 63 63 LYS HA H 1 4.362 0.02 . 1 . . . . 63 K HA . 16879 1 541 . 1 1 63 63 LYS HB2 H 1 1.541 0.02 . 2 . . . . 63 K HB1 . 16879 1 542 . 1 1 63 63 LYS HB3 H 1 2.049 0.02 . 2 . . . . 63 K HB2 . 16879 1 543 . 1 1 63 63 LYS HD2 H 1 1.783 0.02 . 2 . . . . 63 K HD1 . 16879 1 544 . 1 1 63 63 LYS HE2 H 1 3.111 0.02 . 2 . . . . 63 K HE1 . 16879 1 545 . 1 1 63 63 LYS HG2 H 1 1.028 0.02 . 2 . . . . 63 K HG1 . 16879 1 546 . 1 1 63 63 LYS C C 13 174.378 0.04 . 1 . . . . 63 K C . 16879 1 547 . 1 1 63 63 LYS CA C 13 55.682 0.04 . 1 . . . . 63 K CA . 16879 1 548 . 1 1 63 63 LYS CB C 13 35.760 0.04 . 1 . . . . 63 K CB . 16879 1 549 . 1 1 63 63 LYS CD C 13 28.611 0.04 . 1 . . . . 63 K CD . 16879 1 550 . 1 1 63 63 LYS CE C 13 41.853 0.04 . 1 . . . . 63 K CE . 16879 1 551 . 1 1 63 63 LYS CG C 13 26.384 0.04 . 1 . . . . 63 K CG . 16879 1 552 . 1 1 63 63 LYS N N 15 118.190 0.05 . 1 . . . . 63 K N . 16879 1 553 . 1 1 64 64 ILE H H 1 7.815 0.02 . 1 . . . . 64 I HN . 16879 1 554 . 1 1 64 64 ILE HA H 1 4.316 0.02 . 1 . . . . 64 I HA . 16879 1 555 . 1 1 64 64 ILE HB H 1 1.314 0.02 . 1 . . . . 64 I HB . 16879 1 556 . 1 1 64 64 ILE HD11 H 1 0.769 0.02 . 1 . . . . 64 I HD11 . 16879 1 557 . 1 1 64 64 ILE HD12 H 1 0.769 0.02 . 1 . . . . 64 I HD11 . 16879 1 558 . 1 1 64 64 ILE HD13 H 1 0.769 0.02 . 1 . . . . 64 I HD11 . 16879 1 559 . 1 1 64 64 ILE HG12 H 1 1.700 0.02 . 2 . . . . 64 I HG11 . 16879 1 560 . 1 1 64 64 ILE HG21 H 1 0.688 0.02 . 1 . . . . 64 I HG21 . 16879 1 561 . 1 1 64 64 ILE HG22 H 1 0.688 0.02 . 1 . . . . 64 I HG21 . 16879 1 562 . 1 1 64 64 ILE HG23 H 1 0.688 0.02 . 1 . . . . 64 I HG21 . 16879 1 563 . 1 1 64 64 ILE C C 13 172.823 0.04 . 1 . . . . 64 I C . 16879 1 564 . 1 1 64 64 ILE CA C 13 59.784 0.04 . 1 . . . . 64 I CA . 16879 1 565 . 1 1 64 64 ILE CB C 13 40.564 0.04 . 1 . . . . 64 I CB . 16879 1 566 . 1 1 64 64 ILE CD1 C 13 13.962 0.04 . 1 . . . . 64 I CD1 . 16879 1 567 . 1 1 64 64 ILE CG2 C 13 17.478 0.04 . 1 . . . . 64 I CG2 . 16879 1 568 . 1 1 64 64 ILE N N 15 117.541 0.05 . 1 . . . . 64 I N . 16879 1 569 . 1 1 65 65 ASP H H 1 9.124 0.02 . 1 . . . . 65 D HN . 16879 1 570 . 1 1 65 65 ASP HA H 1 5.005 0.02 . 1 . . . . 65 D HA . 16879 1 571 . 1 1 65 65 ASP HB2 H 1 2.559 0.02 . 2 . . . . 65 D HB1 . 16879 1 572 . 1 1 65 65 ASP C C 13 175.858 0.04 . 1 . . . . 65 D C . 16879 1 573 . 1 1 65 65 ASP CA C 13 51.229 0.04 . 1 . . . . 65 D CA . 16879 1 574 . 1 1 65 65 ASP CB C 13 42.557 0.04 . 1 . . . . 65 D CB . 16879 1 575 . 1 1 65 65 ASP N N 15 129.494 0.05 . 1 . . . . 65 D N . 16879 1 576 . 1 1 66 66 VAL H H 1 8.505 0.02 . 1 . . . . 66 V HN . 16879 1 577 . 1 1 66 66 VAL HA H 1 3.213 0.02 . 1 . . . . 66 V HA . 16879 1 578 . 1 1 66 66 VAL HB H 1 1.846 0.02 . 1 . . . . 66 V HB . 16879 1 579 . 1 1 66 66 VAL HG11 H 1 0.955 0.02 . 1 . . . . 66 V HG11 . 16879 1 580 . 1 1 66 66 VAL HG12 H 1 0.955 0.02 . 1 . . . . 66 V HG11 . 16879 1 581 . 1 1 66 66 VAL HG13 H 1 0.955 0.02 . 1 . . . . 66 V HG11 . 16879 1 582 . 1 1 66 66 VAL C C 13 177.603 0.04 . 1 . . . . 66 V C . 16879 1 583 . 1 1 66 66 VAL CA C 13 64.823 0.04 . 1 . . . . 66 V CA . 16879 1 584 . 1 1 66 66 VAL CB C 13 31.189 0.04 . 1 . . . . 66 V CB . 16879 1 585 . 1 1 66 66 VAL CG1 C 13 22.166 0.04 . 2 . . . . 66 V CG1 . 16879 1 586 . 1 1 66 66 VAL N N 15 120.462 0.05 . 1 . . . . 66 V N . 16879 1 587 . 1 1 67 67 GLY H H 1 9.493 0.02 . 1 . . . . 67 G HN . 16879 1 588 . 1 1 67 67 GLY HA2 H 1 3.351 0.02 . 2 . . . . 67 G HA1 . 16879 1 589 . 1 1 67 67 GLY HA3 H 1 4.564 0.02 . 2 . . . . 67 G HA2 . 16879 1 590 . 1 1 67 67 GLY C C 13 173.508 0.04 . 1 . . . . 67 G C . 16879 1 591 . 1 1 67 67 GLY CA C 13 43.963 0.04 . 1 . . . . 67 G CA . 16879 1 592 . 1 1 67 67 GLY N N 15 117.825 0.05 . 1 . . . . 67 G N . 16879 1 593 . 1 1 68 68 ASP H H 1 7.855 0.02 . 1 . . . . 68 D HN . 16879 1 594 . 1 1 68 68 ASP HA H 1 4.721 0.02 . 1 . . . . 68 D HA . 16879 1 595 . 1 1 68 68 ASP HB2 H 1 2.451 0.02 . 2 . . . . 68 D HB1 . 16879 1 596 . 1 1 68 68 ASP HB3 H 1 2.553 0.02 . 2 . . . . 68 D HB2 . 16879 1 597 . 1 1 68 68 ASP C C 13 174.851 0.04 . 1 . . . . 68 D C . 16879 1 598 . 1 1 68 68 ASP CA C 13 67.166 0.04 . 1 . . . . 68 D CA . 16879 1 599 . 1 1 68 68 ASP CB C 13 40.447 0.04 . 1 . . . . 68 D CB . 16879 1 600 . 1 1 68 68 ASP N N 15 122.639 0.05 . 1 . . . . 68 D N . 16879 1 601 . 1 1 69 69 VAL H H 1 9.071 0.02 . 1 . . . . 69 V HN . 16879 1 602 . 1 1 69 69 VAL HA H 1 4.470 0.02 . 1 . . . . 69 V HA . 16879 1 603 . 1 1 69 69 VAL HB H 1 2.168 0.02 . 1 . . . . 69 V HB . 16879 1 604 . 1 1 69 69 VAL HG11 H 1 0.776 0.02 . 1 . . . . 69 V HG11 . 16879 1 605 . 1 1 69 69 VAL HG12 H 1 0.776 0.02 . 1 . . . . 69 V HG11 . 16879 1 606 . 1 1 69 69 VAL HG13 H 1 0.776 0.02 . 1 . . . . 69 V HG11 . 16879 1 607 . 1 1 69 69 VAL HG21 H 1 0.973 0.02 . 1 . . . . 69 V HG21 . 16879 1 608 . 1 1 69 69 VAL HG22 H 1 0.973 0.02 . 1 . . . . 69 V HG21 . 16879 1 609 . 1 1 69 69 VAL HG23 H 1 0.973 0.02 . 1 . . . . 69 V HG21 . 16879 1 610 . 1 1 69 69 VAL C C 13 175.544 0.04 . 1 . . . . 69 V C . 16879 1 611 . 1 1 69 69 VAL CA C 13 60.838 0.04 . 1 . . . . 69 V CA . 16879 1 612 . 1 1 69 69 VAL CB C 13 33.416 0.04 . 1 . . . . 69 V CB . 16879 1 613 . 1 1 69 69 VAL CG1 C 13 21.228 0.04 . 2 . . . . 69 V CG1 . 16879 1 614 . 1 1 69 69 VAL CG2 C 13 21.228 0.04 . 2 . . . . 69 V CG2 . 16879 1 615 . 1 1 69 69 VAL N N 15 122.411 0.05 . 1 . . . . 69 V N . 16879 1 616 . 1 1 70 70 ILE H H 1 8.844 0.02 . 1 . . . . 70 I HN . 16879 1 617 . 1 1 70 70 ILE HA H 1 4.137 0.02 . 1 . . . . 70 I HA . 16879 1 618 . 1 1 70 70 ILE HB H 1 1.634 0.02 . 1 . . . . 70 I HB . 16879 1 619 . 1 1 70 70 ILE HD11 H 1 0.589 0.02 . 1 . . . . 70 I HD11 . 16879 1 620 . 1 1 70 70 ILE HD12 H 1 0.589 0.02 . 1 . . . . 70 I HD11 . 16879 1 621 . 1 1 70 70 ILE HD13 H 1 0.589 0.02 . 1 . . . . 70 I HD11 . 16879 1 622 . 1 1 70 70 ILE HG12 H 1 1.452 0.02 . 2 . . . . 70 I HG11 . 16879 1 623 . 1 1 70 70 ILE HG21 H 1 0.618 0.02 . 1 . . . . 70 I HG21 . 16879 1 624 . 1 1 70 70 ILE HG22 H 1 0.618 0.02 . 1 . . . . 70 I HG21 . 16879 1 625 . 1 1 70 70 ILE HG23 H 1 0.618 0.02 . 1 . . . . 70 I HG21 . 16879 1 626 . 1 1 70 70 ILE C C 13 174.008 0.04 . 1 . . . . 70 I C . 16879 1 627 . 1 1 70 70 ILE CA C 13 60.955 0.04 . 1 . . . . 70 I CA . 16879 1 628 . 1 1 70 70 ILE CB C 13 36.463 0.04 . 1 . . . . 70 I CB . 16879 1 629 . 1 1 70 70 ILE CD1 C 13 13.494 0.04 . 1 . . . . 70 I CD1 . 16879 1 630 . 1 1 70 70 ILE CG1 C 13 26.267 0.04 . 1 . . . . 70 I CG1 . 16879 1 631 . 1 1 70 70 ILE CG2 C 13 19.353 0.04 . 1 . . . . 70 I CG2 . 16879 1 632 . 1 1 70 70 ILE N N 15 126.154 0.05 . 1 . . . . 70 I N . 16879 1 633 . 1 1 71 71 LEU H H 1 9.198 0.02 . 1 . . . . 71 L HN . 16879 1 634 . 1 1 71 71 LEU HA H 1 4.511 0.02 . 1 . . . . 71 L HA . 16879 1 635 . 1 1 71 71 LEU HB2 H 1 1.622 0.02 . 2 . . . . 71 L HB1 . 16879 1 636 . 1 1 71 71 LEU HD11 H 1 0.960 0.02 . 1 . . . . 71 L HD11 . 16879 1 637 . 1 1 71 71 LEU HD12 H 1 0.960 0.02 . 1 . . . . 71 L HD11 . 16879 1 638 . 1 1 71 71 LEU HD13 H 1 0.960 0.02 . 1 . . . . 71 L HD11 . 16879 1 639 . 1 1 71 71 LEU C C 13 178.930 0.04 . 1 . . . . 71 L C . 16879 1 640 . 1 1 71 71 LEU CA C 13 56.385 0.04 . 1 . . . . 71 L CA . 16879 1 641 . 1 1 71 71 LEU CB C 13 43.025 0.04 . 1 . . . . 71 L CB . 16879 1 642 . 1 1 71 71 LEU N N 15 126.554 0.05 . 1 . . . . 71 L N . 16879 1 643 . 1 1 72 72 LYS H H 1 7.847 0.02 . 1 . . . . 72 K HN . 16879 1 644 . 1 1 72 72 LYS HA H 1 5.304 0.02 . 1 . . . . 72 K HA . 16879 1 645 . 1 1 72 72 LYS HB2 H 1 1.234 0.02 . 2 . . . . 72 K HB1 . 16879 1 646 . 1 1 72 72 LYS HG2 H 1 0.863 0.02 . 2 . . . . 72 K HG1 . 16879 1 647 . 1 1 72 72 LYS C C 13 174.267 0.04 . 1 . . . . 72 K C . 16879 1 648 . 1 1 72 72 LYS CA C 13 54.510 0.04 . 1 . . . . 72 K CA . 16879 1 649 . 1 1 72 72 LYS CB C 13 38.807 0.04 . 1 . . . . 72 K CB . 16879 1 650 . 1 1 72 72 LYS N N 15 115.025 0.05 . 1 . . . . 72 K N . 16879 1 651 . 1 1 73 73 VAL H H 1 8.385 0.02 . 1 . . . . 73 V HN . 16879 1 652 . 1 1 73 73 VAL HA H 1 4.577 0.02 . 1 . . . . 73 V HA . 16879 1 653 . 1 1 73 73 VAL HB H 1 1.792 0.02 . 1 . . . . 73 V HB . 16879 1 654 . 1 1 73 73 VAL HG11 H 1 0.830 0.02 . 1 . . . . 73 V HG11 . 16879 1 655 . 1 1 73 73 VAL HG12 H 1 0.830 0.02 . 1 . . . . 73 V HG11 . 16879 1 656 . 1 1 73 73 VAL HG13 H 1 0.830 0.02 . 1 . . . . 73 V HG11 . 16879 1 657 . 1 1 73 73 VAL C C 13 175.639 0.04 . 1 . . . . 73 V C . 16879 1 658 . 1 1 73 73 VAL CA C 13 60.369 0.04 . 1 . . . . 73 V CA . 16879 1 659 . 1 1 73 73 VAL CB C 13 33.181 0.04 . 1 . . . . 73 V CB . 16879 1 660 . 1 1 73 73 VAL CG1 C 13 20.525 0.04 . 2 . . . . 73 V CG1 . 16879 1 661 . 1 1 73 73 VAL N N 15 118.983 0.05 . 1 . . . . 73 V N . 16879 1 662 . 1 1 74 74 ASN H H 1 10.165 0.02 . 1 . . . . 74 N HN . 16879 1 663 . 1 1 74 74 ASN HA H 1 4.584 0.02 . 1 . . . . 74 N HA . 16879 1 664 . 1 1 74 74 ASN HB2 H 1 2.980 0.02 . 2 . . . . 74 N HB1 . 16879 1 665 . 1 1 74 74 ASN HB3 H 1 3.252 0.02 . 2 . . . . 74 N HB2 . 16879 1 666 . 1 1 74 74 ASN HD21 H 1 6.947 0.02 . 2 . . . . 74 N HD21 . 16879 1 667 . 1 1 74 74 ASN HD22 H 1 8.078 0.02 . 2 . . . . 74 N HD22 . 16879 1 668 . 1 1 74 74 ASN C C 13 175.192 0.04 . 1 . . . . 74 N C . 16879 1 669 . 1 1 74 74 ASN CA C 13 54.041 0.04 . 1 . . . . 74 N CA . 16879 1 670 . 1 1 74 74 ASN CB C 13 36.580 0.04 . 1 . . . . 74 N CB . 16879 1 671 . 1 1 74 74 ASN N N 15 129.953 0.05 . 1 . . . . 74 N N . 16879 1 672 . 1 1 74 74 ASN ND2 N 15 113.576 0.05 . 1 . . . . 74 N ND2 . 16879 1 673 . 1 1 75 75 GLY H H 1 9.089 0.02 . 1 . . . . 75 G HN . 16879 1 674 . 1 1 75 75 GLY HA2 H 1 3.452 0.02 . 2 . . . . 75 G HA1 . 16879 1 675 . 1 1 75 75 GLY HA3 H 1 4.261 0.02 . 2 . . . . 75 G HA2 . 16879 1 676 . 1 1 75 75 GLY C C 13 172.362 0.04 . 1 . . . . 75 G C . 16879 1 677 . 1 1 75 75 GLY CA C 13 44.901 0.04 . 1 . . . . 75 G CA . 16879 1 678 . 1 1 75 75 GLY N N 15 103.834 0.05 . 1 . . . . 75 G N . 16879 1 679 . 1 1 76 76 ALA H H 1 8.079 0.02 . 1 . . . . 76 A HN . 16879 1 680 . 1 1 76 76 ALA HA H 1 5.025 0.02 . 1 . . . . 76 A HA . 16879 1 681 . 1 1 76 76 ALA HB1 H 1 1.457 0.02 . 1 . . . . 76 A HB1 . 16879 1 682 . 1 1 76 76 ALA HB2 H 1 1.967 0.02 . 1 . . . . 76 A HB2 . 16879 1 683 . 1 1 76 76 ALA HB3 H 1 1.967 0.02 . 1 . . . . 76 A HB2 . 16879 1 684 . 1 1 76 76 ALA CA C 13 48.416 0.04 . 1 . . . . 76 A CA . 16879 1 685 . 1 1 76 76 ALA CB C 13 18.650 0.04 . 1 . . . . 76 A CB . 16879 1 686 . 1 1 76 76 ALA N N 15 127.152 0.05 . 1 . . . . 76 A N . 16879 1 687 . 1 1 77 77 PRO HA H 1 5.024 0.02 . 1 . . . . 77 P HA . 16879 1 688 . 1 1 77 77 PRO HB2 H 1 2.358 0.02 . 2 . . . . 77 P HB1 . 16879 1 689 . 1 1 77 77 PRO HD2 H 1 3.933 0.02 . 2 . . . . 77 P HD1 . 16879 1 690 . 1 1 77 77 PRO HD3 H 1 4.024 0.02 . 2 . . . . 77 P HD2 . 16879 1 691 . 1 1 77 77 PRO C C 13 177.255 0.04 . 1 . . . . 77 P C . 16879 1 692 . 1 1 77 77 PRO CA C 13 61.541 0.04 . 1 . . . . 77 P CA . 16879 1 693 . 1 1 77 77 PRO CB C 13 32.010 0.04 . 1 . . . . 77 P CB . 16879 1 694 . 1 1 77 77 PRO CD C 13 50.643 0.04 . 1 . . . . 77 P CD . 16879 1 695 . 1 1 78 78 LEU H H 1 7.610 0.02 . 1 . . . . 78 L HN . 16879 1 696 . 1 1 78 78 LEU HA H 1 4.421 0.02 . 1 . . . . 78 L HA . 16879 1 697 . 1 1 78 78 LEU HB2 H 1 1.484 0.02 . 2 . . . . 78 L HB1 . 16879 1 698 . 1 1 78 78 LEU HB3 H 1 1.807 0.02 . 2 . . . . 78 L HB2 . 16879 1 699 . 1 1 78 78 LEU HD11 H 1 0.720 0.02 . 1 . . . . 78 L HD11 . 16879 1 700 . 1 1 78 78 LEU HD12 H 1 0.720 0.02 . 1 . . . . 78 L HD11 . 16879 1 701 . 1 1 78 78 LEU HD13 H 1 0.720 0.02 . 1 . . . . 78 L HD11 . 16879 1 702 . 1 1 78 78 LEU C C 13 177.820 0.04 . 1 . . . . 78 L C . 16879 1 703 . 1 1 78 78 LEU CA C 13 54.510 0.04 . 1 . . . . 78 L CA . 16879 1 704 . 1 1 78 78 LEU CB C 13 41.502 0.04 . 1 . . . . 78 L CB . 16879 1 705 . 1 1 78 78 LEU CD1 C 13 22.166 0.04 . 2 . . . . 78 L CD1 . 16879 1 706 . 1 1 78 78 LEU N N 15 119.231 0.05 . 1 . . . . 78 L N . 16879 1 707 . 1 1 79 79 LYS H H 1 8.352 0.02 . 1 . . . . 79 K HN . 16879 1 708 . 1 1 79 79 LYS HA H 1 4.186 0.02 . 1 . . . . 79 K HA . 16879 1 709 . 1 1 79 79 LYS HB2 H 1 1.862 0.02 . 2 . . . . 79 K HB1 . 16879 1 710 . 1 1 79 79 LYS C C 13 177.074 0.04 . 1 . . . . 79 K C . 16879 1 711 . 1 1 79 79 LYS CA C 13 58.686 0.04 . 1 . . . . 79 K CA . 16879 1 712 . 1 1 79 79 LYS CB C 13 31.728 0.04 . 1 . . . . 79 K CB . 16879 1 713 . 1 1 79 79 LYS N N 15 123.342 0.05 . 1 . . . . 79 K N . 16879 1 714 . 1 1 80 80 GLY H H 1 8.449 0.02 . 1 . . . . 80 G HN . 16879 1 715 . 1 1 80 80 GLY HA2 H 1 3.930 0.02 . 2 . . . . 80 G HA1 . 16879 1 716 . 1 1 80 80 GLY HA3 H 1 4.175 0.02 . 2 . . . . 80 G HA2 . 16879 1 717 . 1 1 80 80 GLY C C 13 174.285 0.04 . 1 . . . . 80 G C . 16879 1 718 . 1 1 80 80 GLY CA C 13 45.252 0.04 . 1 . . . . 80 G CA . 16879 1 719 . 1 1 80 80 GLY N N 15 114.134 0.05 . 1 . . . . 80 G N . 16879 1 720 . 1 1 81 81 LEU H H 1 7.616 0.02 . 1 . . . . 81 L HN . 16879 1 721 . 1 1 81 81 LEU HA H 1 4.581 0.02 . 1 . . . . 81 L HA . 16879 1 722 . 1 1 81 81 LEU HB2 H 1 1.620 0.02 . 2 . . . . 81 L HB1 . 16879 1 723 . 1 1 81 81 LEU HB3 H 1 1.835 0.02 . 2 . . . . 81 L HB2 . 16879 1 724 . 1 1 81 81 LEU HD11 H 1 0.895 0.02 . 1 . . . . 81 L HD11 . 16879 1 725 . 1 1 81 81 LEU HD12 H 1 0.895 0.02 . 1 . . . . 81 L HD11 . 16879 1 726 . 1 1 81 81 LEU HD13 H 1 0.895 0.02 . 1 . . . . 81 L HD11 . 16879 1 727 . 1 1 81 81 LEU C C 13 178.412 0.04 . 1 . . . . 81 L C . 16879 1 728 . 1 1 81 81 LEU CA C 13 54.510 0.04 . 1 . . . . 81 L CA . 16879 1 729 . 1 1 81 81 LEU CB C 13 42.088 0.04 . 1 . . . . 81 L CB . 16879 1 730 . 1 1 81 81 LEU CD1 C 13 22.166 0.04 . 2 . . . . 81 L CD1 . 16879 1 731 . 1 1 81 81 LEU N N 15 121.697 0.05 . 1 . . . . 81 L N . 16879 1 732 . 1 1 82 82 SER H H 1 9.495 0.02 . 1 . . . . 82 S HN . 16879 1 733 . 1 1 82 82 SER HA H 1 4.359 0.02 . 1 . . . . 82 S HA . 16879 1 734 . 1 1 82 82 SER HB2 H 1 4.164 0.02 . 2 . . . . 82 S HB1 . 16879 1 735 . 1 1 82 82 SER C C 13 173.379 0.04 . 1 . . . . 82 S C . 16879 1 736 . 1 1 82 82 SER CA C 13 57.088 0.04 . 1 . . . . 82 S CA . 16879 1 737 . 1 1 82 82 SER CB C 13 64.471 0.04 . 1 . . . . 82 S CB . 16879 1 738 . 1 1 82 82 SER N N 15 120.291 0.05 . 1 . . . . 82 S N . 16879 1 739 . 1 1 83 83 GLN H H 1 9.317 0.02 . 1 . . . . 83 Q HN . 16879 1 740 . 1 1 83 83 GLN HA H 1 3.934 0.02 . 1 . . . . 83 Q HA . 16879 1 741 . 1 1 83 83 GLN HB2 H 1 2.155 0.02 . 2 . . . . 83 Q HB1 . 16879 1 742 . 1 1 83 83 GLN HB3 H 1 2.358 0.02 . 2 . . . . 83 Q HB2 . 16879 1 743 . 1 1 83 83 GLN HG2 H 1 2.425 0.02 . 2 . . . . 83 Q HG1 . 16879 1 744 . 1 1 83 83 GLN HG3 H 1 2.596 0.02 . 2 . . . . 83 Q HG2 . 16879 1 745 . 1 1 83 83 GLN C C 13 177.301 0.04 . 1 . . . . 83 Q C . 16879 1 746 . 1 1 83 83 GLN CA C 13 59.637 0.04 . 1 . . . . 83 Q CA . 16879 1 747 . 1 1 83 83 GLN CB C 13 27.791 0.04 . 1 . . . . 83 Q CB . 16879 1 748 . 1 1 83 83 GLN CG C 13 32.595 0.04 . 1 . . . . 83 Q CG . 16879 1 749 . 1 1 83 83 GLN N N 15 121.706 0.05 . 1 . . . . 83 Q N . 16879 1 750 . 1 1 84 84 GLN H H 1 8.667 0.02 . 1 . . . . 84 Q HN . 16879 1 751 . 1 1 84 84 GLN HA H 1 4.091 0.02 . 1 . . . . 84 Q HA . 16879 1 752 . 1 1 84 84 GLN HB2 H 1 2.068 0.02 . 2 . . . . 84 Q HB1 . 16879 1 753 . 1 1 84 84 GLN HB3 H 1 2.154 0.02 . 2 . . . . 84 Q HB2 . 16879 1 754 . 1 1 84 84 GLN HG2 H 1 2.493 0.02 . 2 . . . . 84 Q HG1 . 16879 1 755 . 1 1 84 84 GLN HG3 H 1 2.548 0.02 . 2 . . . . 84 Q HG2 . 16879 1 756 . 1 1 84 84 GLN C C 13 177.746 0.04 . 1 . . . . 84 Q C . 16879 1 757 . 1 1 84 84 GLN CA C 13 58.612 0.04 . 1 . . . . 84 Q CA . 16879 1 758 . 1 1 84 84 GLN CB C 13 27.556 0.04 . 1 . . . . 84 Q CB . 16879 1 759 . 1 1 84 84 GLN CG C 13 33.416 0.04 . 1 . . . . 84 Q CG . 16879 1 760 . 1 1 84 84 GLN N N 15 116.789 0.05 . 1 . . . . 84 Q N . 16879 1 761 . 1 1 85 85 ASP H H 1 7.869 0.02 . 1 . . . . 85 D HN . 16879 1 762 . 1 1 85 85 ASP HA H 1 4.582 0.02 . 1 . . . . 85 D HA . 16879 1 763 . 1 1 85 85 ASP HB2 H 1 2.662 0.02 . 2 . . . . 85 D HB1 . 16879 1 764 . 1 1 85 85 ASP HB3 H 1 2.924 0.02 . 2 . . . . 85 D HB2 . 16879 1 765 . 1 1 85 85 ASP C C 13 178.893 0.04 . 1 . . . . 85 D C . 16879 1 766 . 1 1 85 85 ASP CA C 13 56.737 0.04 . 1 . . . . 85 D CA . 16879 1 767 . 1 1 85 85 ASP CB C 13 39.978 0.04 . 1 . . . . 85 D CB . 16879 1 768 . 1 1 85 85 ASP N N 15 121.760 0.05 . 1 . . . . 85 D N . 16879 1 769 . 1 1 86 86 VAL H H 1 8.511 0.02 . 1 . . . . 86 V HN . 16879 1 770 . 1 1 86 86 VAL HA H 1 3.423 0.02 . 1 . . . . 86 V HA . 16879 1 771 . 1 1 86 86 VAL HB H 1 2.216 0.02 . 1 . . . . 86 V HB . 16879 1 772 . 1 1 86 86 VAL HG11 H 1 0.396 0.02 . 1 . . . . 86 V HG11 . 16879 1 773 . 1 1 86 86 VAL HG12 H 1 0.396 0.02 . 1 . . . . 86 V HG11 . 16879 1 774 . 1 1 86 86 VAL HG13 H 1 0.396 0.02 . 1 . . . . 86 V HG11 . 16879 1 775 . 1 1 86 86 VAL HG21 H 1 0.998 0.02 . 1 . . . . 86 V HG21 . 16879 1 776 . 1 1 86 86 VAL HG22 H 1 0.998 0.02 . 1 . . . . 86 V HG21 . 16879 1 777 . 1 1 86 86 VAL HG23 H 1 0.998 0.02 . 1 . . . . 86 V HG21 . 16879 1 778 . 1 1 86 86 VAL C C 13 176.669 0.04 . 1 . . . . 86 V C . 16879 1 779 . 1 1 86 86 VAL CA C 13 67.166 0.04 . 1 . . . . 86 V CA . 16879 1 780 . 1 1 86 86 VAL CB C 13 30.955 0.04 . 1 . . . . 86 V CB . 16879 1 781 . 1 1 86 86 VAL CG1 C 13 21.814 0.04 . 2 . . . . 86 V CG1 . 16879 1 782 . 1 1 86 86 VAL CG2 C 13 24.041 0.04 . 2 . . . . 86 V CG2 . 16879 1 783 . 1 1 86 86 VAL N N 15 124.929 0.05 . 1 . . . . 86 V N . 16879 1 784 . 1 1 87 87 ILE H H 1 8.086 0.02 . 1 . . . . 87 I HN . 16879 1 785 . 1 1 87 87 ILE HA H 1 3.658 0.02 . 1 . . . . 87 I HA . 16879 1 786 . 1 1 87 87 ILE HB H 1 2.098 0.02 . 1 . . . . 87 I HB . 16879 1 787 . 1 1 87 87 ILE HD11 H 1 1.054 0.02 . 1 . . . . 87 I HD11 . 16879 1 788 . 1 1 87 87 ILE HD12 H 1 1.054 0.02 . 1 . . . . 87 I HD11 . 16879 1 789 . 1 1 87 87 ILE HD13 H 1 1.054 0.02 . 1 . . . . 87 I HD11 . 16879 1 790 . 1 1 87 87 ILE HG12 H 1 1.404 0.02 . 2 . . . . 87 I HG11 . 16879 1 791 . 1 1 87 87 ILE HG21 H 1 1.024 0.02 . 1 . . . . 87 I HG21 . 16879 1 792 . 1 1 87 87 ILE HG22 H 1 1.024 0.02 . 1 . . . . 87 I HG21 . 16879 1 793 . 1 1 87 87 ILE HG23 H 1 1.024 0.02 . 1 . . . . 87 I HG21 . 16879 1 794 . 1 1 87 87 ILE C C 13 178.560 0.04 . 1 . . . . 87 I C . 16879 1 795 . 1 1 87 87 ILE CA C 13 65.620 0.04 . 1 . . . . 87 I CA . 16879 1 796 . 1 1 87 87 ILE CB C 13 37.517 0.04 . 1 . . . . 87 I CB . 16879 1 797 . 1 1 87 87 ILE CD1 C 13 13.259 0.04 . 1 . . . . 87 I CD1 . 16879 1 798 . 1 1 87 87 ILE CG1 C 13 29.431 0.04 . 1 . . . . 87 I CG1 . 16879 1 799 . 1 1 87 87 ILE CG2 C 13 16.277 0.04 . 1 . . . . 87 I CG2 . 16879 1 800 . 1 1 87 87 ILE N N 15 119.938 0.05 . 1 . . . . 87 I N . 16879 1 801 . 1 1 88 88 SER H H 1 8.144 0.02 . 1 . . . . 88 S HN . 16879 1 802 . 1 1 88 88 SER HA H 1 4.164 0.02 . 1 . . . . 88 S HA . 16879 1 803 . 1 1 88 88 SER HB2 H 1 3.980 0.02 . 2 . . . . 88 S HB1 . 16879 1 804 . 1 1 88 88 SER HB3 H 1 4.032 0.02 . 2 . . . . 88 S HB2 . 16879 1 805 . 1 1 88 88 SER C C 13 174.600 0.04 . 1 . . . . 88 S C . 16879 1 806 . 1 1 88 88 SER CA C 13 61.307 0.04 . 1 . . . . 88 S CA . 16879 1 807 . 1 1 88 88 SER CB C 13 62.479 0.04 . 1 . . . . 88 S CB . 16879 1 808 . 1 1 88 88 SER N N 15 113.860 0.05 . 1 . . . . 88 S N . 16879 1 809 . 1 1 89 89 ALA H H 1 7.958 0.02 . 1 . . . . 89 A HN . 16879 1 810 . 1 1 89 89 ALA HA H 1 4.127 0.02 . 1 . . . . 89 A HA . 16879 1 811 . 1 1 89 89 ALA HB1 H 1 1.395 0.02 . 1 . . . . 89 A HB1 . 16879 1 812 . 1 1 89 89 ALA HB2 H 1 1.395 0.02 . 1 . . . . 89 A HB1 . 16879 1 813 . 1 1 89 89 ALA HB3 H 1 1.395 0.02 . 1 . . . . 89 A HB1 . 16879 1 814 . 1 1 89 89 ALA C C 13 179.337 0.04 . 1 . . . . 89 A C . 16879 1 815 . 1 1 89 89 ALA CA C 13 54.276 0.04 . 1 . . . . 89 A CA . 16879 1 816 . 1 1 89 89 ALA CB C 13 16.892 0.04 . 1 . . . . 89 A CB . 16879 1 817 . 1 1 89 89 ALA N N 15 124.577 0.05 . 1 . . . . 89 A N . 16879 1 818 . 1 1 90 90 LEU H H 1 7.853 0.02 . 1 . . . . 90 L HN . 16879 1 819 . 1 1 90 90 LEU HA H 1 4.079 0.02 . 1 . . . . 90 L HA . 16879 1 820 . 1 1 90 90 LEU HB2 H 1 1.457 0.02 . 2 . . . . 90 L HB1 . 16879 1 821 . 1 1 90 90 LEU HB3 H 1 1.786 0.02 . 2 . . . . 90 L HB2 . 16879 1 822 . 1 1 90 90 LEU HD11 H 1 0.420 0.02 . 1 . . . . 90 L HD11 . 16879 1 823 . 1 1 90 90 LEU HD12 H 1 0.420 0.02 . 1 . . . . 90 L HD11 . 16879 1 824 . 1 1 90 90 LEU HD13 H 1 0.420 0.02 . 1 . . . . 90 L HD11 . 16879 1 825 . 1 1 90 90 LEU HD21 H 1 0.783 0.02 . 1 . . . . 90 L HD21 . 16879 1 826 . 1 1 90 90 LEU HD22 H 1 0.783 0.02 . 1 . . . . 90 L HD21 . 16879 1 827 . 1 1 90 90 LEU HD23 H 1 0.783 0.02 . 1 . . . . 90 L HD21 . 16879 1 828 . 1 1 90 90 LEU HG H 1 1.610 0.02 . 1 . . . . 90 L HG . 16879 1 829 . 1 1 90 90 LEU C C 13 176.885 0.04 . 1 . . . . 90 L C . 16879 1 830 . 1 1 90 90 LEU CA C 13 55.916 0.04 . 1 . . . . 90 L CA . 16879 1 831 . 1 1 90 90 LEU CB C 13 41.502 0.04 . 1 . . . . 90 L CB . 16879 1 832 . 1 1 90 90 LEU CD1 C 13 25.798 0.04 . 2 . . . . 90 L CD1 . 16879 1 833 . 1 1 90 90 LEU CD2 C 13 23.455 0.04 . 2 . . . . 90 L CD2 . 16879 1 834 . 1 1 90 90 LEU CG C 13 26.619 0.04 . 1 . . . . 90 L CG . 16879 1 835 . 1 1 90 90 LEU N N 15 116.078 0.05 . 1 . . . . 90 L N . 16879 1 836 . 1 1 91 91 ARG H H 1 7.816 0.02 . 1 . . . . 91 R HN . 16879 1 837 . 1 1 91 91 ARG HA H 1 4.398 0.02 . 1 . . . . 91 R HA . 16879 1 838 . 1 1 91 91 ARG HB2 H 1 1.925 0.02 . 2 . . . . 91 R HB1 . 16879 1 839 . 1 1 91 91 ARG HB3 H 1 2.040 0.02 . 2 . . . . 91 R HB2 . 16879 1 840 . 1 1 91 91 ARG HD2 H 1 3.259 0.02 . 2 . . . . 91 R HD1 . 16879 1 841 . 1 1 91 91 ARG HG2 H 1 1.739 0.02 . 2 . . . . 91 R HG1 . 16879 1 842 . 1 1 91 91 ARG HG3 H 1 1.890 0.02 . 2 . . . . 91 R HG2 . 16879 1 843 . 1 1 91 91 ARG C C 13 176.897 0.04 . 1 . . . . 91 R C . 16879 1 844 . 1 1 91 91 ARG CA C 13 56.619 0.04 . 1 . . . . 91 R CA . 16879 1 845 . 1 1 91 91 ARG CB C 13 29.783 0.04 . 1 . . . . 91 R CB . 16879 1 846 . 1 1 91 91 ARG CD C 13 43.260 0.04 . 1 . . . . 91 R CD . 16879 1 847 . 1 1 91 91 ARG CG C 13 27.205 0.04 . 1 . . . . 91 R CG . 16879 1 848 . 1 1 91 91 ARG N N 15 119.435 0.05 . 1 . . . . 91 R N . 16879 1 849 . 1 1 92 92 GLY H H 1 7.726 0.02 . 1 . . . . 92 G HN . 16879 1 850 . 1 1 92 92 GLY HA2 H 1 4.071 0.02 . 2 . . . . 92 G HA1 . 16879 1 851 . 1 1 92 92 GLY C C 13 173.580 0.04 . 1 . . . . 92 G C . 16879 1 852 . 1 1 92 92 GLY CA C 13 44.666 0.04 . 1 . . . . 92 G CA . 16879 1 853 . 1 1 92 92 GLY N N 15 106.399 0.05 . 1 . . . . 92 G N . 16879 1 854 . 1 1 93 93 THR H H 1 8.203 0.02 . 1 . . . . 93 T HN . 16879 1 855 . 1 1 93 93 THR HA H 1 4.317 0.02 . 1 . . . . 93 T HA . 16879 1 856 . 1 1 93 93 THR HB H 1 4.424 0.02 . 1 . . . . 93 T HB . 16879 1 857 . 1 1 93 93 THR HG21 H 1 1.246 0.02 . 1 . . . . 93 T HG21 . 16879 1 858 . 1 1 93 93 THR HG22 H 1 1.246 0.02 . 1 . . . . 93 T HG21 . 16879 1 859 . 1 1 93 93 THR HG23 H 1 1.246 0.02 . 1 . . . . 93 T HG21 . 16879 1 860 . 1 1 93 93 THR C C 13 174.097 0.04 . 1 . . . . 93 T C . 16879 1 861 . 1 1 93 93 THR CA C 13 61.776 0.04 . 1 . . . . 93 T CA . 16879 1 862 . 1 1 93 93 THR CB C 13 69.276 0.04 . 1 . . . . 93 T CB . 16879 1 863 . 1 1 93 93 THR CG2 C 13 21.570 0.04 . 1 . . . . 93 T CG2 . 16879 1 864 . 1 1 93 93 THR N N 15 111.389 0.05 . 1 . . . . 93 T N . 16879 1 865 . 1 1 94 94 ALA H H 1 8.074 0.02 . 1 . . . . 94 A HN . 16879 1 866 . 1 1 94 94 ALA HA H 1 4.698 0.02 . 1 . . . . 94 A HA . 16879 1 867 . 1 1 94 94 ALA HB1 H 1 1.414 0.02 . 1 . . . . 94 A HB1 . 16879 1 868 . 1 1 94 94 ALA HB2 H 1 1.414 0.02 . 1 . . . . 94 A HB1 . 16879 1 869 . 1 1 94 94 ALA HB3 H 1 1.414 0.02 . 1 . . . . 94 A HB1 . 16879 1 870 . 1 1 94 94 ALA CA C 13 50.291 0.04 . 1 . . . . 94 A CA . 16879 1 871 . 1 1 94 94 ALA CB C 13 17.478 0.04 . 1 . . . . 94 A CB . 16879 1 872 . 1 1 94 94 ALA N N 15 127.141 0.05 . 1 . . . . 94 A N . 16879 1 873 . 1 1 95 95 PRO HA H 1 4.265 0.02 . 1 . . . . 95 P HA . 16879 1 874 . 1 1 95 95 PRO HB2 H 1 2.420 0.02 . 2 . . . . 95 P HB1 . 16879 1 875 . 1 1 95 95 PRO HD2 H 1 3.907 0.02 . 2 . . . . 95 P HD1 . 16879 1 876 . 1 1 95 95 PRO HG2 H 1 1.965 0.02 . 2 . . . . 95 P HG1 . 16879 1 877 . 1 1 95 95 PRO HG3 H 1 2.167 0.02 . 2 . . . . 95 P HG2 . 16879 1 878 . 1 1 95 95 PRO C C 13 175.433 0.04 . 1 . . . . 95 P C . 16879 1 879 . 1 1 95 95 PRO CA C 13 64.588 0.04 . 1 . . . . 95 P CA . 16879 1 880 . 1 1 95 95 PRO CB C 13 31.892 0.04 . 1 . . . . 95 P CB . 16879 1 881 . 1 1 96 96 GLU H H 1 7.254 0.02 . 1 . . . . 96 E HN . 16879 1 882 . 1 1 96 96 GLU HA H 1 4.706 0.02 . 1 . . . . 96 E HA . 16879 1 883 . 1 1 96 96 GLU HB2 H 1 1.669 0.02 . 2 . . . . 96 E HB1 . 16879 1 884 . 1 1 96 96 GLU HB3 H 1 1.791 0.02 . 2 . . . . 96 E HB2 . 16879 1 885 . 1 1 96 96 GLU HG2 H 1 1.698 0.02 . 2 . . . . 96 E HG1 . 16879 1 886 . 1 1 96 96 GLU HG3 H 1 1.813 0.02 . 2 . . . . 96 E HG2 . 16879 1 887 . 1 1 96 96 GLU C C 13 174.822 0.04 . 1 . . . . 96 E C . 16879 1 888 . 1 1 96 96 GLU CA C 13 54.276 0.04 . 1 . . . . 96 E CA . 16879 1 889 . 1 1 96 96 GLU CB C 13 31.072 0.04 . 1 . . . . 96 E CB . 16879 1 890 . 1 1 96 96 GLU CG C 13 35.994 0.04 . 1 . . . . 96 E CG . 16879 1 891 . 1 1 96 96 GLU N N 15 115.608 0.05 . 1 . . . . 96 E N . 16879 1 892 . 1 1 97 97 VAL H H 1 9.058 0.02 . 1 . . . . 97 V HN . 16879 1 893 . 1 1 97 97 VAL HA H 1 4.568 0.02 . 1 . . . . 97 V HA . 16879 1 894 . 1 1 97 97 VAL HB H 1 1.904 0.02 . 1 . . . . 97 V HB . 16879 1 895 . 1 1 97 97 VAL HG11 H 1 0.907 0.02 . 1 . . . . 97 V HG11 . 16879 1 896 . 1 1 97 97 VAL HG12 H 1 0.907 0.02 . 1 . . . . 97 V HG11 . 16879 1 897 . 1 1 97 97 VAL HG13 H 1 0.907 0.02 . 1 . . . . 97 V HG11 . 16879 1 898 . 1 1 97 97 VAL HG21 H 1 0.973 0.02 . 1 . . . . 97 V HG21 . 16879 1 899 . 1 1 97 97 VAL HG22 H 1 0.973 0.02 . 1 . . . . 97 V HG21 . 16879 1 900 . 1 1 97 97 VAL HG23 H 1 0.973 0.02 . 1 . . . . 97 V HG21 . 16879 1 901 . 1 1 97 97 VAL C C 13 173.860 0.04 . 1 . . . . 97 V C . 16879 1 902 . 1 1 97 97 VAL CA C 13 60.838 0.04 . 1 . . . . 97 V CA . 16879 1 903 . 1 1 97 97 VAL CB C 13 34.588 0.04 . 1 . . . . 97 V CB . 16879 1 904 . 1 1 97 97 VAL CG1 C 13 21.462 0.04 . 2 . . . . 97 V CG1 . 16879 1 905 . 1 1 97 97 VAL CG2 C 13 21.462 0.04 . 2 . . . . 97 V CG2 . 16879 1 906 . 1 1 97 97 VAL N N 15 126.510 0.05 . 1 . . . . 97 V N . 16879 1 907 . 1 1 98 98 SER H H 1 8.566 0.02 . 1 . . . . 98 S HN . 16879 1 908 . 1 1 98 98 SER HA H 1 5.043 0.02 . 1 . . . . 98 S HA . 16879 1 909 . 1 1 98 98 SER HB2 H 1 3.806 0.02 . 2 . . . . 98 S HB1 . 16879 1 910 . 1 1 98 98 SER C C 13 173.744 0.04 . 1 . . . . 98 S C . 16879 1 911 . 1 1 98 98 SER CA C 13 56.737 0.04 . 1 . . . . 98 S CA . 16879 1 912 . 1 1 98 98 SER CB C 13 63.182 0.04 . 1 . . . . 98 S CB . 16879 1 913 . 1 1 98 98 SER N N 15 121.589 0.05 . 1 . . . . 98 S N . 16879 1 914 . 1 1 99 99 LEU H H 1 9.335 0.02 . 1 . . . . 99 L HN . 16879 1 915 . 1 1 99 99 LEU HA H 1 5.090 0.02 . 1 . . . . 99 L HA . 16879 1 916 . 1 1 99 99 LEU HB2 H 1 1.182 0.02 . 2 . . . . 99 L HB1 . 16879 1 917 . 1 1 99 99 LEU HB3 H 1 1.910 0.02 . 2 . . . . 99 L HB2 . 16879 1 918 . 1 1 99 99 LEU HD11 H 1 0.875 0.02 . 1 . . . . 99 L HD11 . 16879 1 919 . 1 1 99 99 LEU HD12 H 1 0.875 0.02 . 1 . . . . 99 L HD11 . 16879 1 920 . 1 1 99 99 LEU HD13 H 1 0.875 0.02 . 1 . . . . 99 L HD11 . 16879 1 921 . 1 1 99 99 LEU HG H 1 1.704 0.02 . 1 . . . . 99 L HG . 16879 1 922 . 1 1 99 99 LEU C C 13 174.119 0.04 . 1 . . . . 99 L C . 16879 1 923 . 1 1 99 99 LEU CA C 13 52.869 0.04 . 1 . . . . 99 L CA . 16879 1 924 . 1 1 99 99 LEU CB C 13 43.846 0.04 . 1 . . . . 99 L CB . 16879 1 925 . 1 1 99 99 LEU CD1 C 13 25.418 0.04 . 2 . . . . 99 L CD1 . 16879 1 926 . 1 1 99 99 LEU CG C 13 26.384 0.04 . 1 . . . . 99 L CG . 16879 1 927 . 1 1 99 99 LEU N N 15 128.383 0.05 . 1 . . . . 99 L N . 16879 1 928 . 1 1 100 100 LEU H H 1 8.478 0.02 . 1 . . . . 100 L HN . 16879 1 929 . 1 1 100 100 LEU HA H 1 4.894 0.02 . 1 . . . . 100 L HA . 16879 1 930 . 1 1 100 100 LEU HB2 H 1 1.341 0.02 . 2 . . . . 100 L HB1 . 16879 1 931 . 1 1 100 100 LEU HB3 H 1 1.742 0.02 . 2 . . . . 100 L HB2 . 16879 1 932 . 1 1 100 100 LEU HD11 H 1 0.849 0.02 . 1 . . . . 100 L HD11 . 16879 1 933 . 1 1 100 100 LEU HD12 H 1 0.849 0.02 . 1 . . . . 100 L HD11 . 16879 1 934 . 1 1 100 100 LEU HD13 H 1 0.849 0.02 . 1 . . . . 100 L HD11 . 16879 1 935 . 1 1 100 100 LEU HD21 H 1 0.848 0.02 . 1 . . . . 100 L HD21 . 16879 1 936 . 1 1 100 100 LEU HD22 H 1 0.848 0.02 . 1 . . . . 100 L HD21 . 16879 1 937 . 1 1 100 100 LEU HD23 H 1 0.848 0.02 . 1 . . . . 100 L HD21 . 16879 1 938 . 1 1 100 100 LEU HG H 1 1.341 0.02 . 1 . . . . 100 L HG . 16879 1 939 . 1 1 100 100 LEU C C 13 174.462 0.04 . 1 . . . . 100 L C . 16879 1 940 . 1 1 100 100 LEU CA C 13 53.811 0.04 . 1 . . . . 100 L CA . 16879 1 941 . 1 1 100 100 LEU CB C 13 43.494 0.04 . 1 . . . . 100 L CB . 16879 1 942 . 1 1 100 100 LEU CD1 C 13 25.564 0.04 . 2 . . . . 100 L CD1 . 16879 1 943 . 1 1 100 100 LEU CD2 C 13 22.634 0.04 . 2 . . . . 100 L CD2 . 16879 1 944 . 1 1 100 100 LEU CG C 13 27.088 0.04 . 1 . . . . 100 L CG . 16879 1 945 . 1 1 100 100 LEU N N 15 125.578 0.05 . 1 . . . . 100 L N . 16879 1 946 . 1 1 101 101 LEU H H 1 9.051 0.02 . 1 . . . . 101 L HN . 16879 1 947 . 1 1 101 101 LEU HA H 1 5.345 0.02 . 1 . . . . 101 L HA . 16879 1 948 . 1 1 101 101 LEU HB2 H 1 0.483 0.02 . 2 . . . . 101 L HB1 . 16879 1 949 . 1 1 101 101 LEU HB3 H 1 0.936 0.02 . 2 . . . . 101 L HB2 . 16879 1 950 . 1 1 101 101 LEU HD11 H 1 0.682 0.02 . 1 . . . . 101 L HD11 . 16879 1 951 . 1 1 101 101 LEU HD12 H 1 0.682 0.02 . 1 . . . . 101 L HD11 . 16879 1 952 . 1 1 101 101 LEU HD13 H 1 0.682 0.02 . 1 . . . . 101 L HD11 . 16879 1 953 . 1 1 101 101 LEU HD21 H 1 0.727 0.02 . 1 . . . . 101 L HD21 . 16879 1 954 . 1 1 101 101 LEU HD22 H 1 0.727 0.02 . 1 . . . . 101 L HD21 . 16879 1 955 . 1 1 101 101 LEU HD23 H 1 0.727 0.02 . 1 . . . . 101 L HD21 . 16879 1 956 . 1 1 101 101 LEU HG H 1 1.261 0.02 . 1 . . . . 101 L HG . 16879 1 957 . 1 1 101 101 LEU C C 13 174.045 0.04 . 1 . . . . 101 L C . 16879 1 958 . 1 1 101 101 LEU CA C 13 52.987 0.04 . 1 . . . . 101 L CA . 16879 1 959 . 1 1 101 101 LEU CB C 13 44.783 0.04 . 1 . . . . 101 L CB . 16879 1 960 . 1 1 101 101 LEU CD1 C 13 25.989 0.04 . 2 . . . . 101 L CD1 . 16879 1 961 . 1 1 101 101 LEU CD2 C 13 27.205 0.04 . 2 . . . . 101 L CD2 . 16879 1 962 . 1 1 101 101 LEU CG C 13 27.361 0.04 . 1 . . . . 101 L CG . 16879 1 963 . 1 1 101 101 LEU N N 15 128.921 0.05 . 1 . . . . 101 L N . 16879 1 964 . 1 1 102 102 CYS H H 1 9.162 0.02 . 1 . . . . 102 C HN . 16879 1 965 . 1 1 102 102 CYS HA H 1 5.377 0.02 . 1 . . . . 102 C HA . 16879 1 966 . 1 1 102 102 CYS HB2 H 1 2.351 0.02 . 2 . . . . 102 C HB1 . 16879 1 967 . 1 1 102 102 CYS HB3 H 1 3.053 0.02 . 2 . . . . 102 C HB2 . 16879 1 968 . 1 1 102 102 CYS C C 13 172.453 0.04 . 1 . . . . 102 C C . 16879 1 969 . 1 1 102 102 CYS CA C 13 55.916 0.04 . 1 . . . . 102 C CA . 16879 1 970 . 1 1 102 102 CYS CB C 13 29.783 0.04 . 1 . . . . 102 C CB . 16879 1 971 . 1 1 102 102 CYS N N 15 117.753 0.05 . 1 . . . . 102 C N . 16879 1 972 . 1 1 103 103 ARG H H 1 8.783 0.02 . 1 . . . . 103 R HN . 16879 1 973 . 1 1 103 103 ARG HA H 1 5.200 0.02 . 1 . . . . 103 R HA . 16879 1 974 . 1 1 103 103 ARG HB2 H 1 2.029 0.02 . 2 . . . . 103 R HB1 . 16879 1 975 . 1 1 103 103 ARG HD2 H 1 3.022 0.02 . 2 . . . . 103 R HD1 . 16879 1 976 . 1 1 103 103 ARG HE H 1 7.389 0.02 . 1 . . . . 103 R HE . 16879 1 977 . 1 1 103 103 ARG HG2 H 1 1.606 0.02 . 2 . . . . 103 R HG1 . 16879 1 978 . 1 1 103 103 ARG CA C 13 52.049 0.04 . 1 . . . . 103 R CA . 16879 1 979 . 1 1 103 103 ARG N N 15 132.130 0.05 . 1 . . . . 103 R N . 16879 1 980 . 1 1 103 103 ARG NH1 N 15 76.029 0.05 . 2 . . . . 103 R NH1 . 16879 1 981 . 1 1 104 104 PRO HB2 H 1 1.907 0.02 . 2 . . . . 104 P HB1 . 16879 1 982 . 1 1 105 105 ALA H H 1 8.428 0.02 . 1 . . . . 105 A HN . 16879 1 983 . 1 1 105 105 ALA HA H 1 4.486 0.02 . 1 . . . . 105 A HA . 16879 1 984 . 1 1 105 105 ALA HB1 H 1 1.441 0.02 . 1 . . . . 105 A HB1 . 16879 1 985 . 1 1 105 105 ALA HB2 H 1 1.441 0.02 . 1 . . . . 105 A HB1 . 16879 1 986 . 1 1 105 105 ALA HB3 H 1 1.441 0.02 . 1 . . . . 105 A HB1 . 16879 1 987 . 1 1 105 105 ALA CA C 13 50.408 0.04 . 1 . . . . 105 A CA . 16879 1 988 . 1 1 105 105 ALA CB C 13 16.306 0.04 . 1 . . . . 105 A CB . 16879 1 989 . 1 1 105 105 ALA N N 15 125.032 0.05 . 1 . . . . 105 A N . 16879 1 990 . 1 1 106 106 PRO HA H 1 4.340 0.02 . 1 . . . . 106 P HA . 16879 1 991 . 1 1 106 106 PRO HB2 H 1 2.347 0.02 . 2 . . . . 106 P HB1 . 16879 1 992 . 1 1 106 106 PRO HD2 H 1 3.631 0.02 . 2 . . . . 106 P HD1 . 16879 1 993 . 1 1 106 106 PRO HD3 H 1 3.949 0.02 . 2 . . . . 106 P HD2 . 16879 1 994 . 1 1 106 106 PRO HG2 H 1 1.895 0.02 . 2 . . . . 106 P HG1 . 16879 1 995 . 1 1 106 106 PRO C C 13 177.598 0.04 . 1 . . . . 106 P C . 16879 1 996 . 1 1 106 106 PRO CA C 13 63.651 0.04 . 1 . . . . 106 P CA . 16879 1 997 . 1 1 106 106 PRO CB C 13 31.067 0.04 . 1 . . . . 106 P CB . 16879 1 998 . 1 1 106 106 PRO CD C 13 49.940 0.04 . 1 . . . . 106 P CD . 16879 1 999 . 1 1 107 107 GLY H H 1 8.901 0.02 . 1 . . . . 107 G HN . 16879 1 1000 . 1 1 107 107 GLY HA2 H 1 3.716 0.02 . 2 . . . . 107 G HA1 . 16879 1 1001 . 1 1 107 107 GLY HA3 H 1 4.213 0.02 . 2 . . . . 107 G HA2 . 16879 1 1002 . 1 1 107 107 GLY C C 13 174.285 0.04 . 1 . . . . 107 G C . 16879 1 1003 . 1 1 107 107 GLY CA C 13 44.666 0.04 . 1 . . . . 107 G CA . 16879 1 1004 . 1 1 107 107 GLY N N 15 112.736 0.05 . 1 . . . . 107 G N . 16879 1 1005 . 1 1 108 108 VAL H H 1 7.604 0.02 . 1 . . . . 108 V HN . 16879 1 1006 . 1 1 108 108 VAL HA H 1 3.772 0.02 . 1 . . . . 108 V HA . 16879 1 1007 . 1 1 108 108 VAL HB H 1 1.976 0.02 . 1 . . . . 108 V HB . 16879 1 1008 . 1 1 108 108 VAL HG11 H 1 0.836 0.02 . 1 . . . . 108 V HG11 . 16879 1 1009 . 1 1 108 108 VAL HG12 H 1 0.836 0.02 . 1 . . . . 108 V HG11 . 16879 1 1010 . 1 1 108 108 VAL HG13 H 1 0.836 0.02 . 1 . . . . 108 V HG11 . 16879 1 1011 . 1 1 108 108 VAL HG21 H 1 0.995 0.02 . 1 . . . . 108 V HG21 . 16879 1 1012 . 1 1 108 108 VAL HG22 H 1 0.995 0.02 . 1 . . . . 108 V HG21 . 16879 1 1013 . 1 1 108 108 VAL HG23 H 1 0.995 0.02 . 1 . . . . 108 V HG21 . 16879 1 1014 . 1 1 108 108 VAL C C 13 175.673 0.04 . 1 . . . . 108 V C . 16879 1 1015 . 1 1 108 108 VAL CA C 13 65.174 0.04 . 1 . . . . 108 V CA . 16879 1 1016 . 1 1 108 108 VAL CB C 13 31.775 0.04 . 1 . . . . 108 V CB . 16879 1 1017 . 1 1 108 108 VAL CG2 C 13 22.869 0.04 . 2 . . . . 108 V CG2 . 16879 1 1018 . 1 1 108 108 VAL N N 15 121.760 0.05 . 1 . . . . 108 V N . 16879 1 1019 . 1 1 109 109 LEU H H 1 8.378 0.02 . 1 . . . . 109 L HN . 16879 1 1020 . 1 1 109 109 LEU HA H 1 4.794 0.02 . 1 . . . . 109 L HA . 16879 1 1021 . 1 1 109 109 LEU HB2 H 1 1.083 0.02 . 2 . . . . 109 L HB1 . 16879 1 1022 . 1 1 109 109 LEU HB3 H 1 1.426 0.02 . 2 . . . . 109 L HB2 . 16879 1 1023 . 1 1 109 109 LEU HD11 H 1 0.282 0.02 . 1 . . . . 109 L HD11 . 16879 1 1024 . 1 1 109 109 LEU HD12 H 1 0.282 0.02 . 1 . . . . 109 L HD11 . 16879 1 1025 . 1 1 109 109 LEU HD13 H 1 0.282 0.02 . 1 . . . . 109 L HD11 . 16879 1 1026 . 1 1 109 109 LEU HD21 H 1 0.545 0.02 . 1 . . . . 109 L HD21 . 16879 1 1027 . 1 1 109 109 LEU HD22 H 1 0.545 0.02 . 1 . . . . 109 L HD21 . 16879 1 1028 . 1 1 109 109 LEU HD23 H 1 0.545 0.02 . 1 . . . . 109 L HD21 . 16879 1 1029 . 1 1 109 109 LEU HG H 1 0.280 0.02 . 1 . . . . 109 L HG . 16879 1 1030 . 1 1 109 109 LEU C C 13 176.377 0.04 . 1 . . . . 109 L C . 16879 1 1031 . 1 1 109 109 LEU CA C 13 50.512 0.04 . 1 . . . . 109 L CA . 16879 1 1032 . 1 1 109 109 LEU CB C 13 41.971 0.04 . 1 . . . . 109 L CB . 16879 1 1033 . 1 1 109 109 LEU CD1 C 13 24.978 0.04 . 2 . . . . 109 L CD1 . 16879 1 1034 . 1 1 109 109 LEU CD2 C 13 22.400 0.04 . 2 . . . . 109 L CD2 . 16879 1 1035 . 1 1 109 109 LEU CG C 13 24.978 0.04 . 1 . . . . 109 L CG . 16879 1 1036 . 1 1 109 109 LEU N N 15 118.596 0.05 . 1 . . . . 109 L N . 16879 1 1037 . 1 1 110 110 PRO HA H 1 4.443 0.02 . 1 . . . . 110 P HA . 16879 1 1038 . 1 1 110 110 PRO HB2 H 1 2.341 0.02 . 2 . . . . 110 P HB1 . 16879 1 1039 . 1 1 110 110 PRO HG2 H 1 1.983 0.02 . 2 . . . . 110 P HG1 . 16879 1 1040 . 1 1 110 110 PRO CA C 13 62.700 0.04 . 1 . . . . 110 P CA . 16879 1 1041 . 1 1 110 110 PRO CB C 13 31.595 0.04 . 1 . . . . 110 P CB . 16879 1 1042 . 1 1 111 111 GLU H H 1 8.511 0.02 . 1 . . . . 111 E HN . 16879 1 1043 . 1 1 111 111 GLU HA H 1 4.297 0.02 . 1 . . . . 111 E HA . 16879 1 1044 . 1 1 111 111 GLU HB2 H 1 2.085 0.02 . 2 . . . . 111 E HB1 . 16879 1 1045 . 1 1 111 111 GLU C C 13 176.783 0.04 . 1 . . . . 111 E C . 16879 1 1046 . 1 1 111 111 GLU CA C 13 56.205 0.04 . 1 . . . . 111 E CA . 16879 1 1047 . 1 1 111 111 GLU CB C 13 29.492 0.04 . 1 . . . . 111 E CB . 16879 1 1048 . 1 1 111 111 GLU N N 15 121.639 0.05 . 1 . . . . 111 E N . 16879 1 1049 . 1 1 112 112 ILE H H 1 8.689 0.02 . 1 . . . . 112 I HN . 16879 1 1050 . 1 1 112 112 ILE HA H 1 3.982 0.02 . 1 . . . . 112 I HA . 16879 1 1051 . 1 1 112 112 ILE HB H 1 1.687 0.02 . 1 . . . . 112 I HB . 16879 1 1052 . 1 1 112 112 ILE HD11 H 1 0.804 0.02 . 1 . . . . 112 I HD11 . 16879 1 1053 . 1 1 112 112 ILE HD12 H 1 0.804 0.02 . 1 . . . . 112 I HD11 . 16879 1 1054 . 1 1 112 112 ILE HD13 H 1 0.804 0.02 . 1 . . . . 112 I HD11 . 16879 1 1055 . 1 1 112 112 ILE HG12 H 1 1.155 0.02 . 1 . . . . 112 I HG11 . 16879 1 1056 . 1 1 112 112 ILE HG13 H 1 1.533 0.02 . 1 . . . . 112 I HG12 . 16879 1 1057 . 1 1 112 112 ILE HG21 H 1 0.841 0.02 . 1 . . . . 112 I HG21 . 16879 1 1058 . 1 1 112 112 ILE HG22 H 1 0.841 0.02 . 1 . . . . 112 I HG21 . 16879 1 1059 . 1 1 112 112 ILE HG23 H 1 0.841 0.02 . 1 . . . . 112 I HG21 . 16879 1 1060 . 1 1 112 112 ILE C C 13 175.227 0.04 . 1 . . . . 112 I C . 16879 1 1061 . 1 1 112 112 ILE CA C 13 61.424 0.04 . 1 . . . . 112 I CA . 16879 1 1062 . 1 1 112 112 ILE CB C 13 38.572 0.04 . 1 . . . . 112 I CB . 16879 1 1063 . 1 1 112 112 ILE CD1 C 13 13.611 0.04 . 1 . . . . 112 I CD1 . 16879 1 1064 . 1 1 112 112 ILE CG1 C 13 27.439 0.04 . 1 . . . . 112 I CG1 . 16879 1 1065 . 1 1 112 112 ILE CG2 C 13 17.478 0.04 . 1 . . . . 112 I CG2 . 16879 1 1066 . 1 1 112 112 ILE N N 15 124.890 0.05 . 1 . . . . 112 I N . 16879 1 1067 . 1 1 113 113 ASP H H 1 8.534 0.02 . 1 . . . . 113 D HN . 16879 1 1068 . 1 1 113 113 ASP HA H 1 4.702 0.02 . 1 . . . . 113 D HA . 16879 1 1069 . 1 1 113 113 ASP HB2 H 1 2.597 0.02 . 2 . . . . 113 D HB1 . 16879 1 1070 . 1 1 113 113 ASP HB3 H 1 2.715 0.02 . 2 . . . . 113 D HB2 . 16879 1 1071 . 1 1 113 113 ASP C C 13 174.974 0.04 . 1 . . . . 113 D C . 16879 1 1072 . 1 1 113 113 ASP CA C 13 53.807 0.04 . 1 . . . . 113 D CA . 16879 1 1073 . 1 1 113 113 ASP CB C 13 40.799 0.04 . 1 . . . . 113 D CB . 16879 1 1074 . 1 1 113 113 ASP N N 15 125.627 0.05 . 1 . . . . 113 D N . 16879 1 1075 . 1 1 114 114 THR H H 1 7.921 0.02 . 1 . . . . 114 T HN . 16879 1 1076 . 1 1 114 114 THR HA H 1 4.655 0.02 . 1 . . . . 114 T HA . 16879 1 1077 . 1 1 114 114 THR HB H 1 4.180 0.02 . 1 . . . . 114 T HB . 16879 1 1078 . 1 1 114 114 THR HG21 H 1 1.243 0.02 . 1 . . . . 114 T HG21 . 16879 1 1079 . 1 1 114 114 THR HG22 H 1 1.243 0.02 . 1 . . . . 114 T HG21 . 16879 1 1080 . 1 1 114 114 THR HG23 H 1 1.243 0.02 . 1 . . . . 114 T HG21 . 16879 1 1081 . 1 1 114 114 THR CA C 13 59.198 0.04 . 1 . . . . 114 T CA . 16879 1 1082 . 1 1 114 114 THR CB C 13 69.393 0.04 . 1 . . . . 114 T CB . 16879 1 1083 . 1 1 114 114 THR CG2 C 13 20.877 0.04 . 1 . . . . 114 T CG2 . 16879 1 1084 . 1 1 114 114 THR N N 15 116.946 0.05 . 1 . . . . 114 T N . 16879 1 1085 . 1 1 115 115 PRO HA H 1 4.460 0.02 . 1 . . . . 115 P HA . 16879 1 1086 . 1 1 115 115 PRO HB2 H 1 2.374 0.02 . 2 . . . . 115 P HB1 . 16879 1 1087 . 1 1 115 115 PRO HG2 H 1 2.015 0.02 . 2 . . . . 115 P HG1 . 16879 1 1088 . 1 1 115 115 PRO C C 13 177.190 0.04 . 1 . . . . 115 P C . 16879 1 1089 . 1 1 115 115 PRO CA C 13 63.219 0.04 . 1 . . . . 115 P CA . 16879 1 1090 . 1 1 115 115 PRO CB C 13 31.613 0.04 . 1 . . . . 115 P CB . 16879 1 1091 . 1 1 116 116 GLY H H 1 8.506 0.02 . 1 . . . . 116 G HN . 16879 1 1092 . 1 1 116 116 GLY HA2 H 1 3.908 0.02 . 2 . . . . 116 G HA1 . 16879 1 1093 . 1 1 116 116 GLY HA3 H 1 4.049 0.02 . 2 . . . . 116 G HA2 . 16879 1 1094 . 1 1 116 116 GLY C C 13 173.527 0.04 . 1 . . . . 116 G C . 16879 1 1095 . 1 1 116 116 GLY CA C 13 44.979 0.04 . 1 . . . . 116 G CA . 16879 1 1096 . 1 1 116 116 GLY N N 15 109.614 0.05 . 1 . . . . 116 G N . 16879 1 1097 . 1 1 117 117 ASN H H 1 8.331 0.02 . 1 . . . . 117 N HN . 16879 1 1098 . 1 1 117 117 ASN HA H 1 4.903 0.02 . 1 . . . . 117 N HA . 16879 1 1099 . 1 1 117 117 ASN HB2 H 1 2.584 0.02 . 2 . . . . 117 N HB1 . 16879 1 1100 . 1 1 117 117 ASN CA C 13 53.807 0.04 . 1 . . . . 117 N CA . 16879 1 1101 . 1 1 117 117 ASN N N 15 119.231 0.05 . 1 . . . . 117 N N . 16879 1 stop_ save_