################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34259 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aromatic' . . . 34259 1 2 '3D 1H-15N NOESY' . . . 34259 1 3 '3D 1H-13C NOESY aliphatic' . . . 34259 1 4 '3D 1H-13C NOESY aliphatic' . . . 34259 1 5 '3D 1H-13C NOESY aromatic' . . . 34259 1 6 '2D 1H-1H NOESY' . . . 34259 1 7 '2D 1H-15N HSQC' . . . 34259 1 8 '2D 1H-15N HSQC' . . . 34259 1 9 '2D 1H-13C HSQC' . . . 34259 1 10 '2D 1H-13C HSQC' . . . 34259 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.869 0.000 . . . . . . B 276 GLY HA2 . 34259 1 2 . 1 1 1 1 GLY HA3 H 1 3.869 0.000 . . . . . . B 276 GLY HA3 . 34259 1 3 . 1 1 1 1 GLY CA C 13 43.292 0.000 . . . . . . B 276 GLY CA . 34259 1 4 . 1 1 2 2 SER HA H 1 4.481 0.005 . . . . . . B 277 SER HA . 34259 1 5 . 1 1 2 2 SER HB2 H 1 3.806 0.003 . . . . . . B 277 SER HB2 . 34259 1 6 . 1 1 2 2 SER HB3 H 1 3.806 0.003 . . . . . . B 277 SER HB3 . 34259 1 7 . 1 1 2 2 SER CA C 13 58.119 0.000 . . . . . . B 277 SER CA . 34259 1 8 . 1 1 2 2 SER CB C 13 63.855 0.000 . . . . . . B 277 SER CB . 34259 1 9 . 1 1 3 3 HIS HA H 1 4.681 0.029 . . . . . . B 278 HIS HA . 34259 1 10 . 1 1 3 3 HIS HB2 H 1 3.199 0.002 . . . . . . B 278 HIS HB2 . 34259 1 11 . 1 1 3 3 HIS HB3 H 1 3.115 0.005 . . . . . . B 278 HIS HB3 . 34259 1 12 . 1 1 3 3 HIS HD2 H 1 7.127 0.003 . . . . . . B 278 HIS HD2 . 34259 1 13 . 1 1 3 3 HIS HE1 H 1 8.220 0.000 . . . . . . B 278 HIS HE1 . 34259 1 14 . 1 1 3 3 HIS CA C 13 56.002 0.012 . . . . . . B 278 HIS CA . 34259 1 15 . 1 1 3 3 HIS CB C 13 29.585 0.025 . . . . . . B 278 HIS CB . 34259 1 16 . 1 1 3 3 HIS CD2 C 13 120.261 0.000 . . . . . . B 278 HIS CD2 . 34259 1 17 . 1 1 3 3 HIS CE1 C 13 137.587 0.000 . . . . . . B 278 HIS CE1 . 34259 1 18 . 1 1 4 4 MET HA H 1 4.394 0.004 . . . . . . B 279 MET HA . 34259 1 19 . 1 1 4 4 MET HB2 H 1 2.024 0.002 . . . . . . B 279 MET HB2 . 34259 1 20 . 1 1 4 4 MET HB3 H 1 1.922 0.005 . . . . . . B 279 MET HB3 . 34259 1 21 . 1 1 4 4 MET HG2 H 1 2.482 0.000 . . . . . . B 279 MET HG2 . 34259 1 22 . 1 1 4 4 MET HG3 H 1 2.417 0.003 . . . . . . B 279 MET HG3 . 34259 1 23 . 1 1 4 4 MET HE1 H 1 2.048 0.000 . . . . . . B 279 MET HE1 . 34259 1 24 . 1 1 4 4 MET HE2 H 1 2.048 0.000 . . . . . . B 279 MET HE2 . 34259 1 25 . 1 1 4 4 MET HE3 H 1 2.048 0.000 . . . . . . B 279 MET HE3 . 34259 1 26 . 1 1 4 4 MET CA C 13 55.502 0.000 . . . . . . B 279 MET CA . 34259 1 27 . 1 1 4 4 MET CB C 13 32.763 0.041 . . . . . . B 279 MET CB . 34259 1 28 . 1 1 4 4 MET CG C 13 32.113 0.011 . . . . . . B 279 MET CG . 34259 1 29 . 1 1 4 4 MET CE C 13 16.852 0.000 . . . . . . B 279 MET CE . 34259 1 30 . 1 1 5 5 ASP H H 1 8.304 0.001 . . . . . . B 280 ASP H . 34259 1 31 . 1 1 5 5 ASP HA H 1 4.537 0.003 . . . . . . B 280 ASP HA . 34259 1 32 . 1 1 5 5 ASP HB2 H 1 2.691 0.004 . . . . . . B 280 ASP HB2 . 34259 1 33 . 1 1 5 5 ASP HB3 H 1 2.691 0.004 . . . . . . B 280 ASP HB3 . 34259 1 34 . 1 1 5 5 ASP CA C 13 54.008 0.000 . . . . . . B 280 ASP CA . 34259 1 35 . 1 1 5 5 ASP CB C 13 41.116 0.000 . . . . . . B 280 ASP CB . 34259 1 36 . 1 1 5 5 ASP N N 15 121.255 0.025 . . . . . . B 280 ASP N . 34259 1 37 . 1 1 6 6 ASN H H 1 8.412 0.005 . . . . . . B 281 ASN H . 34259 1 38 . 1 1 6 6 ASN HA H 1 4.565 0.004 . . . . . . B 281 ASN HA . 34259 1 39 . 1 1 6 6 ASN HB2 H 1 2.365 0.004 . . . . . . B 281 ASN HB2 . 34259 1 40 . 1 1 6 6 ASN HB3 H 1 2.112 0.005 . . . . . . B 281 ASN HB3 . 34259 1 41 . 1 1 6 6 ASN HD21 H 1 7.512 0.002 . . . . . . B 281 ASN HD21 . 34259 1 42 . 1 1 6 6 ASN HD22 H 1 6.890 0.001 . . . . . . B 281 ASN HD22 . 34259 1 43 . 1 1 6 6 ASN CA C 13 53.922 0.015 . . . . . . B 281 ASN CA . 34259 1 44 . 1 1 6 6 ASN CB C 13 38.115 0.041 . . . . . . B 281 ASN CB . 34259 1 45 . 1 1 6 6 ASN N N 15 118.609 0.089 . . . . . . B 281 ASN N . 34259 1 46 . 1 1 6 6 ASN ND2 N 15 114.204 0.028 . . . . . . B 281 ASN ND2 . 34259 1 47 . 1 1 7 7 SER H H 1 8.375 0.002 . . . . . . B 282 SER H . 34259 1 48 . 1 1 7 7 SER HA H 1 4.185 0.004 . . . . . . B 282 SER HA . 34259 1 49 . 1 1 7 7 SER HB2 H 1 3.858 0.009 . . . . . . B 282 SER HB2 . 34259 1 50 . 1 1 7 7 SER HB3 H 1 3.858 0.009 . . . . . . B 282 SER HB3 . 34259 1 51 . 1 1 7 7 SER CA C 13 60.152 0.000 . . . . . . B 282 SER CA . 34259 1 52 . 1 1 7 7 SER CB C 13 63.091 0.010 . . . . . . B 282 SER CB . 34259 1 53 . 1 1 7 7 SER N N 15 116.190 0.016 . . . . . . B 282 SER N . 34259 1 54 . 1 1 8 8 ASP H H 1 8.132 0.000 . . . . . . B 283 ASP H . 34259 1 55 . 1 1 8 8 ASP HA H 1 4.656 0.000 . . . . . . B 283 ASP HA . 34259 1 56 . 1 1 8 8 ASP HB2 H 1 2.634 0.008 . . . . . . B 283 ASP HB2 . 34259 1 57 . 1 1 8 8 ASP HB3 H 1 2.634 0.008 . . . . . . B 283 ASP HB3 . 34259 1 58 . 1 1 8 8 ASP CB C 13 41.021 0.000 . . . . . . B 283 ASP CB . 34259 1 59 . 1 1 8 8 ASP N N 15 119.880 0.008 . . . . . . B 283 ASP N . 34259 1 60 . 1 1 9 9 ASN H H 1 7.714 0.004 . . . . . . B 284 ASN H . 34259 1 61 . 1 1 9 9 ASN HA H 1 4.636 0.008 . . . . . . B 284 ASN HA . 34259 1 62 . 1 1 9 9 ASN HB2 H 1 2.507 0.007 . . . . . . B 284 ASN HB2 . 34259 1 63 . 1 1 9 9 ASN HB3 H 1 2.898 0.011 . . . . . . B 284 ASN HB3 . 34259 1 64 . 1 1 9 9 ASN HD21 H 1 7.295 0.003 . . . . . . B 284 ASN HD21 . 34259 1 65 . 1 1 9 9 ASN HD22 H 1 7.065 0.002 . . . . . . B 284 ASN HD22 . 34259 1 66 . 1 1 9 9 ASN CA C 13 53.199 0.072 . . . . . . B 284 ASN CA . 34259 1 67 . 1 1 9 9 ASN CB C 13 38.739 0.069 . . . . . . B 284 ASN CB . 34259 1 68 . 1 1 9 9 ASN N N 15 119.852 0.006 . . . . . . B 284 ASN N . 34259 1 69 . 1 1 9 9 ASN ND2 N 15 109.679 0.025 . . . . . . B 284 ASN ND2 . 34259 1 70 . 1 1 10 10 ASN H H 1 8.383 0.002 . . . . . . B 285 ASN H . 34259 1 71 . 1 1 10 10 ASN HA H 1 4.864 0.008 . . . . . . B 285 ASN HA . 34259 1 72 . 1 1 10 10 ASN HB2 H 1 3.517 0.010 . . . . . . B 285 ASN HB2 . 34259 1 73 . 1 1 10 10 ASN HB3 H 1 2.418 0.008 . . . . . . B 285 ASN HB3 . 34259 1 74 . 1 1 10 10 ASN HD21 H 1 7.974 0.003 . . . . . . B 285 ASN HD21 . 34259 1 75 . 1 1 10 10 ASN HD22 H 1 7.329 0.002 . . . . . . B 285 ASN HD22 . 34259 1 76 . 1 1 10 10 ASN CA C 13 53.069 0.035 . . . . . . B 285 ASN CA . 34259 1 77 . 1 1 10 10 ASN CB C 13 38.443 0.027 . . . . . . B 285 ASN CB . 34259 1 78 . 1 1 10 10 ASN N N 15 119.872 0.024 . . . . . . B 285 ASN N . 34259 1 79 . 1 1 10 10 ASN ND2 N 15 113.371 0.024 . . . . . . B 285 ASN ND2 . 34259 1 80 . 1 1 11 11 THR H H 1 8.552 0.002 . . . . . . B 286 THR H . 34259 1 81 . 1 1 11 11 THR HA H 1 5.525 0.008 . . . . . . B 286 THR HA . 34259 1 82 . 1 1 11 11 THR HB H 1 4.013 0.007 . . . . . . B 286 THR HB . 34259 1 83 . 1 1 11 11 THR HG21 H 1 1.094 0.004 . . . . . . B 286 THR HG21 . 34259 1 84 . 1 1 11 11 THR HG22 H 1 1.094 0.004 . . . . . . B 286 THR HG22 . 34259 1 85 . 1 1 11 11 THR HG23 H 1 1.094 0.004 . . . . . . B 286 THR HG23 . 34259 1 86 . 1 1 11 11 THR CA C 13 62.190 0.012 . . . . . . B 286 THR CA . 34259 1 87 . 1 1 11 11 THR CB C 13 71.056 0.016 . . . . . . B 286 THR CB . 34259 1 88 . 1 1 11 11 THR CG2 C 13 20.988 0.031 . . . . . . B 286 THR CG2 . 34259 1 89 . 1 1 11 11 THR N N 15 119.201 0.022 . . . . . . B 286 THR N . 34259 1 90 . 1 1 12 12 ILE H H 1 8.731 0.005 . . . . . . B 287 ILE H . 34259 1 91 . 1 1 12 12 ILE HA H 1 5.165 0.008 . . . . . . B 287 ILE HA . 34259 1 92 . 1 1 12 12 ILE HB H 1 1.831 0.007 . . . . . . B 287 ILE HB . 34259 1 93 . 1 1 12 12 ILE HG12 H 1 1.191 0.000 . . . . . . B 287 ILE HG12 . 34259 1 94 . 1 1 12 12 ILE HG13 H 1 1.267 0.000 . . . . . . B 287 ILE HG13 . 34259 1 95 . 1 1 12 12 ILE HG21 H 1 0.799 0.008 . . . . . . B 287 ILE HG21 . 34259 1 96 . 1 1 12 12 ILE HG22 H 1 0.799 0.008 . . . . . . B 287 ILE HG22 . 34259 1 97 . 1 1 12 12 ILE HG23 H 1 0.799 0.008 . . . . . . B 287 ILE HG23 . 34259 1 98 . 1 1 12 12 ILE HD11 H 1 0.227 0.006 . . . . . . B 287 ILE HD11 . 34259 1 99 . 1 1 12 12 ILE HD12 H 1 0.227 0.006 . . . . . . B 287 ILE HD12 . 34259 1 100 . 1 1 12 12 ILE HD13 H 1 0.227 0.006 . . . . . . B 287 ILE HD13 . 34259 1 101 . 1 1 12 12 ILE CA C 13 59.081 0.011 . . . . . . B 287 ILE CA . 34259 1 102 . 1 1 12 12 ILE CB C 13 39.842 0.015 . . . . . . B 287 ILE CB . 34259 1 103 . 1 1 12 12 ILE CG1 C 13 26.224 0.018 . . . . . . B 287 ILE CG1 . 34259 1 104 . 1 1 12 12 ILE CG2 C 13 18.915 0.009 . . . . . . B 287 ILE CG2 . 34259 1 105 . 1 1 12 12 ILE CD1 C 13 13.860 0.016 . . . . . . B 287 ILE CD1 . 34259 1 106 . 1 1 12 12 ILE N N 15 118.354 0.034 . . . . . . B 287 ILE N . 34259 1 107 . 1 1 13 13 PHE H H 1 9.472 0.002 . . . . . . B 288 PHE H . 34259 1 108 . 1 1 13 13 PHE HA H 1 5.346 0.006 . . . . . . B 288 PHE HA . 34259 1 109 . 1 1 13 13 PHE HB2 H 1 2.676 0.010 . . . . . . B 288 PHE HB2 . 34259 1 110 . 1 1 13 13 PHE HB3 H 1 2.746 0.015 . . . . . . B 288 PHE HB3 . 34259 1 111 . 1 1 13 13 PHE HD1 H 1 6.972 0.006 . . . . . . B 288 PHE HD1 . 34259 1 112 . 1 1 13 13 PHE HD2 H 1 6.972 0.006 . . . . . . B 288 PHE HD2 . 34259 1 113 . 1 1 13 13 PHE HE1 H 1 6.881 0.000 . . . . . . B 288 PHE HE1 . 34259 1 114 . 1 1 13 13 PHE HE2 H 1 6.881 0.000 . . . . . . B 288 PHE HE2 . 34259 1 115 . 1 1 13 13 PHE HZ H 1 6.915 0.000 . . . . . . B 288 PHE HZ . 34259 1 116 . 1 1 13 13 PHE CA C 13 55.515 0.015 . . . . . . B 288 PHE CA . 34259 1 117 . 1 1 13 13 PHE CB C 13 41.948 0.012 . . . . . . B 288 PHE CB . 34259 1 118 . 1 1 13 13 PHE CD1 C 13 131.426 0.028 . . . . . . B 288 PHE CD1 . 34259 1 119 . 1 1 13 13 PHE CE1 C 13 131.045 0.000 . . . . . . B 288 PHE CE1 . 34259 1 120 . 1 1 13 13 PHE CZ C 13 131.060 0.000 . . . . . . B 288 PHE CZ . 34259 1 121 . 1 1 13 13 PHE N N 15 123.778 0.017 . . . . . . B 288 PHE N . 34259 1 122 . 1 1 14 14 VAL H H 1 8.786 0.002 . . . . . . B 289 VAL H . 34259 1 123 . 1 1 14 14 VAL HA H 1 4.934 0.007 . . . . . . B 289 VAL HA . 34259 1 124 . 1 1 14 14 VAL HB H 1 1.591 0.005 . . . . . . B 289 VAL HB . 34259 1 125 . 1 1 14 14 VAL HG11 H 1 0.837 0.008 . . . . . . B 289 VAL HG11 . 34259 1 126 . 1 1 14 14 VAL HG12 H 1 0.837 0.008 . . . . . . B 289 VAL HG12 . 34259 1 127 . 1 1 14 14 VAL HG13 H 1 0.837 0.008 . . . . . . B 289 VAL HG13 . 34259 1 128 . 1 1 14 14 VAL HG21 H 1 0.649 0.006 . . . . . . B 289 VAL HG21 . 34259 1 129 . 1 1 14 14 VAL HG22 H 1 0.649 0.006 . . . . . . B 289 VAL HG22 . 34259 1 130 . 1 1 14 14 VAL HG23 H 1 0.649 0.006 . . . . . . B 289 VAL HG23 . 34259 1 131 . 1 1 14 14 VAL CA C 13 59.599 0.016 . . . . . . B 289 VAL CA . 34259 1 132 . 1 1 14 14 VAL CB C 13 34.768 0.017 . . . . . . B 289 VAL CB . 34259 1 133 . 1 1 14 14 VAL CG1 C 13 22.319 0.041 . . . . . . B 289 VAL CG1 . 34259 1 134 . 1 1 14 14 VAL CG2 C 13 21.654 0.015 . . . . . . B 289 VAL CG2 . 34259 1 135 . 1 1 14 14 VAL N N 15 127.636 0.019 . . . . . . B 289 VAL N . 34259 1 136 . 1 1 15 15 GLN H H 1 8.682 0.002 . . . . . . B 290 GLN H . 34259 1 137 . 1 1 15 15 GLN HA H 1 4.761 0.007 . . . . . . B 290 GLN HA . 34259 1 138 . 1 1 15 15 GLN HB2 H 1 2.093 0.005 . . . . . . B 290 GLN HB2 . 34259 1 139 . 1 1 15 15 GLN HB3 H 1 1.779 0.002 . . . . . . B 290 GLN HB3 . 34259 1 140 . 1 1 15 15 GLN HG2 H 1 2.032 0.003 . . . . . . B 290 GLN HG2 . 34259 1 141 . 1 1 15 15 GLN HG3 H 1 1.763 0.004 . . . . . . B 290 GLN HG3 . 34259 1 142 . 1 1 15 15 GLN HE21 H 1 7.914 0.000 . . . . . . B 290 GLN HE21 . 34259 1 143 . 1 1 15 15 GLN HE22 H 1 6.959 0.000 . . . . . . B 290 GLN HE22 . 34259 1 144 . 1 1 15 15 GLN CA C 13 53.963 0.015 . . . . . . B 290 GLN CA . 34259 1 145 . 1 1 15 15 GLN CB C 13 33.985 0.036 . . . . . . B 290 GLN CB . 34259 1 146 . 1 1 15 15 GLN CG C 13 35.362 0.031 . . . . . . B 290 GLN CG . 34259 1 147 . 1 1 15 15 GLN N N 15 122.029 0.014 . . . . . . B 290 GLN N . 34259 1 148 . 1 1 15 15 GLN NE2 N 15 113.374 0.016 . . . . . . B 290 GLN NE2 . 34259 1 149 . 1 1 16 16 GLY H H 1 8.170 0.003 . . . . . . B 291 GLY H . 34259 1 150 . 1 1 16 16 GLY HA2 H 1 3.723 0.008 . . . . . . B 291 GLY HA2 . 34259 1 151 . 1 1 16 16 GLY HA3 H 1 4.524 0.004 . . . . . . B 291 GLY HA3 . 34259 1 152 . 1 1 16 16 GLY CA C 13 45.204 0.017 . . . . . . B 291 GLY CA . 34259 1 153 . 1 1 16 16 GLY N N 15 109.268 0.017 . . . . . . B 291 GLY N . 34259 1 154 . 1 1 17 17 LEU H H 1 8.433 0.006 . . . . . . B 292 LEU H . 34259 1 155 . 1 1 17 17 LEU HA H 1 3.676 0.006 . . . . . . B 292 LEU HA . 34259 1 156 . 1 1 17 17 LEU HB2 H 1 1.136 0.007 . . . . . . B 292 LEU HB2 . 34259 1 157 . 1 1 17 17 LEU HB3 H 1 1.136 0.007 . . . . . . B 292 LEU HB3 . 34259 1 158 . 1 1 17 17 LEU HG H 1 1.099 0.008 . . . . . . B 292 LEU HG . 34259 1 159 . 1 1 17 17 LEU HD11 H 1 -0.192 0.007 . . . . . . B 292 LEU HD11 . 34259 1 160 . 1 1 17 17 LEU HD12 H 1 -0.192 0.007 . . . . . . B 292 LEU HD12 . 34259 1 161 . 1 1 17 17 LEU HD13 H 1 -0.192 0.007 . . . . . . B 292 LEU HD13 . 34259 1 162 . 1 1 17 17 LEU HD21 H 1 0.259 0.005 . . . . . . B 292 LEU HD21 . 34259 1 163 . 1 1 17 17 LEU HD22 H 1 0.259 0.005 . . . . . . B 292 LEU HD22 . 34259 1 164 . 1 1 17 17 LEU HD23 H 1 0.259 0.005 . . . . . . B 292 LEU HD23 . 34259 1 165 . 1 1 17 17 LEU CA C 13 55.680 0.037 . . . . . . B 292 LEU CA . 34259 1 166 . 1 1 17 17 LEU CB C 13 42.378 0.012 . . . . . . B 292 LEU CB . 34259 1 167 . 1 1 17 17 LEU CG C 13 26.295 0.008 . . . . . . B 292 LEU CG . 34259 1 168 . 1 1 17 17 LEU CD1 C 13 21.610 0.015 . . . . . . B 292 LEU CD1 . 34259 1 169 . 1 1 17 17 LEU CD2 C 13 26.266 0.030 . . . . . . B 292 LEU CD2 . 34259 1 170 . 1 1 17 17 LEU N N 15 117.653 0.014 . . . . . . B 292 LEU N . 34259 1 171 . 1 1 18 18 GLY H H 1 7.914 0.002 . . . . . . B 293 GLY H . 34259 1 172 . 1 1 18 18 GLY HA2 H 1 4.078 0.003 . . . . . . B 293 GLY HA2 . 34259 1 173 . 1 1 18 18 GLY HA3 H 1 3.747 0.004 . . . . . . B 293 GLY HA3 . 34259 1 174 . 1 1 18 18 GLY CA C 13 43.822 0.002 . . . . . . B 293 GLY CA . 34259 1 175 . 1 1 18 18 GLY N N 15 104.721 0.045 . . . . . . B 293 GLY N . 34259 1 176 . 1 1 19 19 GLU H H 1 8.024 0.001 . . . . . . B 294 GLU H . 34259 1 177 . 1 1 19 19 GLU HA H 1 4.115 0.004 . . . . . . B 294 GLU HA . 34259 1 178 . 1 1 19 19 GLU HB2 H 1 2.051 0.000 . . . . . . B 294 GLU HB2 . 34259 1 179 . 1 1 19 19 GLU HB3 H 1 1.997 0.000 . . . . . . B 294 GLU HB3 . 34259 1 180 . 1 1 19 19 GLU HG2 H 1 2.316 0.002 . . . . . . B 294 GLU HG2 . 34259 1 181 . 1 1 19 19 GLU HG3 H 1 2.224 0.005 . . . . . . B 294 GLU HG3 . 34259 1 182 . 1 1 19 19 GLU CA C 13 57.091 0.000 . . . . . . B 294 GLU CA . 34259 1 183 . 1 1 19 19 GLU CB C 13 30.437 0.025 . . . . . . B 294 GLU CB . 34259 1 184 . 1 1 19 19 GLU CG C 13 36.140 0.005 . . . . . . B 294 GLU CG . 34259 1 185 . 1 1 19 19 GLU N N 15 113.250 0.016 . . . . . . B 294 GLU N . 34259 1 186 . 1 1 20 20 ASN H H 1 8.338 0.001 . . . . . . B 295 ASN H . 34259 1 187 . 1 1 20 20 ASN HA H 1 4.933 0.007 . . . . . . B 295 ASN HA . 34259 1 188 . 1 1 20 20 ASN HB2 H 1 2.888 0.002 . . . . . . B 295 ASN HB2 . 34259 1 189 . 1 1 20 20 ASN HB3 H 1 2.694 0.003 . . . . . . B 295 ASN HB3 . 34259 1 190 . 1 1 20 20 ASN HD21 H 1 7.573 0.001 . . . . . . B 295 ASN HD21 . 34259 1 191 . 1 1 20 20 ASN HD22 H 1 6.929 0.003 . . . . . . B 295 ASN HD22 . 34259 1 192 . 1 1 20 20 ASN CA C 13 52.240 0.012 . . . . . . B 295 ASN CA . 34259 1 193 . 1 1 20 20 ASN CB C 13 38.355 0.004 . . . . . . B 295 ASN CB . 34259 1 194 . 1 1 20 20 ASN N N 15 116.716 0.015 . . . . . . B 295 ASN N . 34259 1 195 . 1 1 20 20 ASN ND2 N 15 113.153 0.023 . . . . . . B 295 ASN ND2 . 34259 1 196 . 1 1 21 21 VAL H H 1 6.791 0.001 . . . . . . B 296 VAL H . 34259 1 197 . 1 1 21 21 VAL HA H 1 4.144 0.008 . . . . . . B 296 VAL HA . 34259 1 198 . 1 1 21 21 VAL HB H 1 1.973 0.005 . . . . . . B 296 VAL HB . 34259 1 199 . 1 1 21 21 VAL HG11 H 1 0.806 0.001 . . . . . . B 296 VAL HG11 . 34259 1 200 . 1 1 21 21 VAL HG12 H 1 0.806 0.001 . . . . . . B 296 VAL HG12 . 34259 1 201 . 1 1 21 21 VAL HG13 H 1 0.806 0.001 . . . . . . B 296 VAL HG13 . 34259 1 202 . 1 1 21 21 VAL HG21 H 1 0.777 0.002 . . . . . . B 296 VAL HG21 . 34259 1 203 . 1 1 21 21 VAL HG22 H 1 0.777 0.002 . . . . . . B 296 VAL HG22 . 34259 1 204 . 1 1 21 21 VAL HG23 H 1 0.777 0.002 . . . . . . B 296 VAL HG23 . 34259 1 205 . 1 1 21 21 VAL CA C 13 61.547 0.032 . . . . . . B 296 VAL CA . 34259 1 206 . 1 1 21 21 VAL CB C 13 32.512 0.005 . . . . . . B 296 VAL CB . 34259 1 207 . 1 1 21 21 VAL CG1 C 13 22.721 0.011 . . . . . . B 296 VAL CG1 . 34259 1 208 . 1 1 21 21 VAL CG2 C 13 21.264 0.027 . . . . . . B 296 VAL CG2 . 34259 1 209 . 1 1 21 21 VAL N N 15 118.002 0.020 . . . . . . B 296 VAL N . 34259 1 210 . 1 1 22 22 THR H H 1 7.240 0.003 . . . . . . B 297 THR H . 34259 1 211 . 1 1 22 22 THR HA H 1 4.685 0.004 . . . . . . B 297 THR HA . 34259 1 212 . 1 1 22 22 THR HB H 1 4.651 0.006 . . . . . . B 297 THR HB . 34259 1 213 . 1 1 22 22 THR HG1 H 1 5.418 0.000 . . . . . . B 297 THR HG1 . 34259 1 214 . 1 1 22 22 THR HG21 H 1 1.240 0.005 . . . . . . B 297 THR HG21 . 34259 1 215 . 1 1 22 22 THR HG22 H 1 1.240 0.005 . . . . . . B 297 THR HG22 . 34259 1 216 . 1 1 22 22 THR HG23 H 1 1.240 0.005 . . . . . . B 297 THR HG23 . 34259 1 217 . 1 1 22 22 THR CA C 13 58.474 0.008 . . . . . . B 297 THR CA . 34259 1 218 . 1 1 22 22 THR CB C 13 72.748 0.014 . . . . . . B 297 THR CB . 34259 1 219 . 1 1 22 22 THR CG2 C 13 21.636 0.013 . . . . . . B 297 THR CG2 . 34259 1 220 . 1 1 22 22 THR N N 15 111.275 0.007 . . . . . . B 297 THR N . 34259 1 221 . 1 1 23 23 ILE H H 1 9.010 0.002 . . . . . . B 298 ILE H . 34259 1 222 . 1 1 23 23 ILE HA H 1 3.497 0.006 . . . . . . B 298 ILE HA . 34259 1 223 . 1 1 23 23 ILE HB H 1 1.858 0.005 . . . . . . B 298 ILE HB . 34259 1 224 . 1 1 23 23 ILE HG12 H 1 1.145 0.006 . . . . . . B 298 ILE HG12 . 34259 1 225 . 1 1 23 23 ILE HG13 H 1 1.638 0.007 . . . . . . B 298 ILE HG13 . 34259 1 226 . 1 1 23 23 ILE HG21 H 1 0.913 0.006 . . . . . . B 298 ILE HG21 . 34259 1 227 . 1 1 23 23 ILE HG22 H 1 0.913 0.006 . . . . . . B 298 ILE HG22 . 34259 1 228 . 1 1 23 23 ILE HG23 H 1 0.913 0.006 . . . . . . B 298 ILE HG23 . 34259 1 229 . 1 1 23 23 ILE HD11 H 1 0.947 0.003 . . . . . . B 298 ILE HD11 . 34259 1 230 . 1 1 23 23 ILE HD12 H 1 0.947 0.003 . . . . . . B 298 ILE HD12 . 34259 1 231 . 1 1 23 23 ILE HD13 H 1 0.947 0.003 . . . . . . B 298 ILE HD13 . 34259 1 232 . 1 1 23 23 ILE CA C 13 65.581 0.013 . . . . . . B 298 ILE CA . 34259 1 233 . 1 1 23 23 ILE CB C 13 37.409 0.031 . . . . . . B 298 ILE CB . 34259 1 234 . 1 1 23 23 ILE CG1 C 13 28.952 0.038 . . . . . . B 298 ILE CG1 . 34259 1 235 . 1 1 23 23 ILE CG2 C 13 17.144 0.004 . . . . . . B 298 ILE CG2 . 34259 1 236 . 1 1 23 23 ILE CD1 C 13 12.728 0.024 . . . . . . B 298 ILE CD1 . 34259 1 237 . 1 1 23 23 ILE N N 15 122.214 0.016 . . . . . . B 298 ILE N . 34259 1 238 . 1 1 24 24 GLU H H 1 8.726 0.002 . . . . . . B 299 GLU H . 34259 1 239 . 1 1 24 24 GLU HA H 1 3.964 0.004 . . . . . . B 299 GLU HA . 34259 1 240 . 1 1 24 24 GLU HB2 H 1 2.053 0.005 . . . . . . B 299 GLU HB2 . 34259 1 241 . 1 1 24 24 GLU HB3 H 1 1.961 0.004 . . . . . . B 299 GLU HB3 . 34259 1 242 . 1 1 24 24 GLU HG2 H 1 2.425 0.003 . . . . . . B 299 GLU HG2 . 34259 1 243 . 1 1 24 24 GLU HG3 H 1 2.250 0.006 . . . . . . B 299 GLU HG3 . 34259 1 244 . 1 1 24 24 GLU CA C 13 60.302 0.010 . . . . . . B 299 GLU CA . 34259 1 245 . 1 1 24 24 GLU CB C 13 28.783 0.028 . . . . . . B 299 GLU CB . 34259 1 246 . 1 1 24 24 GLU CG C 13 36.942 0.020 . . . . . . B 299 GLU CG . 34259 1 247 . 1 1 24 24 GLU N N 15 118.047 0.009 . . . . . . B 299 GLU N . 34259 1 248 . 1 1 25 25 SER H H 1 8.139 0.001 . . . . . . B 300 SER H . 34259 1 249 . 1 1 25 25 SER HA H 1 4.363 0.007 . . . . . . B 300 SER HA . 34259 1 250 . 1 1 25 25 SER HB2 H 1 4.057 0.009 . . . . . . B 300 SER HB2 . 34259 1 251 . 1 1 25 25 SER HB3 H 1 3.997 0.009 . . . . . . B 300 SER HB3 . 34259 1 252 . 1 1 25 25 SER HG H 1 5.649 0.000 . . . . . . B 300 SER HG . 34259 1 253 . 1 1 25 25 SER CA C 13 61.007 0.004 . . . . . . B 300 SER CA . 34259 1 254 . 1 1 25 25 SER CB C 13 62.734 0.039 . . . . . . B 300 SER CB . 34259 1 255 . 1 1 25 25 SER N N 15 115.586 0.016 . . . . . . B 300 SER N . 34259 1 256 . 1 1 26 26 VAL H H 1 7.935 0.004 . . . . . . B 301 VAL H . 34259 1 257 . 1 1 26 26 VAL HA H 1 3.724 0.007 . . . . . . B 301 VAL HA . 34259 1 258 . 1 1 26 26 VAL HB H 1 2.173 0.007 . . . . . . B 301 VAL HB . 34259 1 259 . 1 1 26 26 VAL HG11 H 1 0.825 0.005 . . . . . . B 301 VAL HG11 . 34259 1 260 . 1 1 26 26 VAL HG12 H 1 0.825 0.005 . . . . . . B 301 VAL HG12 . 34259 1 261 . 1 1 26 26 VAL HG13 H 1 0.825 0.005 . . . . . . B 301 VAL HG13 . 34259 1 262 . 1 1 26 26 VAL HG21 H 1 0.821 0.005 . . . . . . B 301 VAL HG21 . 34259 1 263 . 1 1 26 26 VAL HG22 H 1 0.821 0.005 . . . . . . B 301 VAL HG22 . 34259 1 264 . 1 1 26 26 VAL HG23 H 1 0.821 0.005 . . . . . . B 301 VAL HG23 . 34259 1 265 . 1 1 26 26 VAL CA C 13 67.044 0.022 . . . . . . B 301 VAL CA . 34259 1 266 . 1 1 26 26 VAL CB C 13 31.462 0.043 . . . . . . B 301 VAL CB . 34259 1 267 . 1 1 26 26 VAL CG1 C 13 24.404 0.036 . . . . . . B 301 VAL CG1 . 34259 1 268 . 1 1 26 26 VAL CG2 C 13 22.751 0.039 . . . . . . B 301 VAL CG2 . 34259 1 269 . 1 1 26 26 VAL N N 15 124.682 0.013 . . . . . . B 301 VAL N . 34259 1 270 . 1 1 27 27 ALA H H 1 8.679 0.001 . . . . . . B 302 ALA H . 34259 1 271 . 1 1 27 27 ALA HA H 1 3.875 0.007 . . . . . . B 302 ALA HA . 34259 1 272 . 1 1 27 27 ALA HB1 H 1 1.443 0.006 . . . . . . B 302 ALA HB1 . 34259 1 273 . 1 1 27 27 ALA HB2 H 1 1.443 0.006 . . . . . . B 302 ALA HB2 . 34259 1 274 . 1 1 27 27 ALA HB3 H 1 1.443 0.006 . . . . . . B 302 ALA HB3 . 34259 1 275 . 1 1 27 27 ALA CA C 13 55.491 0.054 . . . . . . B 302 ALA CA . 34259 1 276 . 1 1 27 27 ALA CB C 13 17.547 0.024 . . . . . . B 302 ALA CB . 34259 1 277 . 1 1 27 27 ALA N N 15 123.146 0.025 . . . . . . B 302 ALA N . 34259 1 278 . 1 1 28 28 ASP H H 1 8.272 0.001 . . . . . . B 303 ASP H . 34259 1 279 . 1 1 28 28 ASP HA H 1 4.296 0.005 . . . . . . B 303 ASP HA . 34259 1 280 . 1 1 28 28 ASP HB2 H 1 2.746 0.004 . . . . . . B 303 ASP HB2 . 34259 1 281 . 1 1 28 28 ASP HB3 H 1 2.601 0.003 . . . . . . B 303 ASP HB3 . 34259 1 282 . 1 1 28 28 ASP CA C 13 57.099 0.032 . . . . . . B 303 ASP CA . 34259 1 283 . 1 1 28 28 ASP N N 15 115.407 0.017 . . . . . . B 303 ASP N . 34259 1 284 . 1 1 29 29 TYR H H 1 7.493 0.001 . . . . . . B 304 TYR H . 34259 1 285 . 1 1 29 29 TYR HA H 1 4.190 0.005 . . . . . . B 304 TYR HA . 34259 1 286 . 1 1 29 29 TYR HB2 H 1 2.802 0.011 . . . . . . B 304 TYR HB2 . 34259 1 287 . 1 1 29 29 TYR HB3 H 1 3.075 0.008 . . . . . . B 304 TYR HB3 . 34259 1 288 . 1 1 29 29 TYR HD1 H 1 5.835 0.008 . . . . . . B 304 TYR HD1 . 34259 1 289 . 1 1 29 29 TYR HD2 H 1 5.835 0.008 . . . . . . B 304 TYR HD2 . 34259 1 290 . 1 1 29 29 TYR HE1 H 1 6.197 0.004 . . . . . . B 304 TYR HE1 . 34259 1 291 . 1 1 29 29 TYR HE2 H 1 6.197 0.004 . . . . . . B 304 TYR HE2 . 34259 1 292 . 1 1 29 29 TYR CA C 13 60.789 0.012 . . . . . . B 304 TYR CA . 34259 1 293 . 1 1 29 29 TYR CB C 13 39.823 0.028 . . . . . . B 304 TYR CB . 34259 1 294 . 1 1 29 29 TYR CD1 C 13 132.527 0.009 . . . . . . B 304 TYR CD1 . 34259 1 295 . 1 1 29 29 TYR CE1 C 13 119.138 0.021 . . . . . . B 304 TYR CE1 . 34259 1 296 . 1 1 29 29 TYR N N 15 119.134 0.036 . . . . . . B 304 TYR N . 34259 1 297 . 1 1 30 30 PHE H H 1 7.959 0.003 . . . . . . B 305 PHE H . 34259 1 298 . 1 1 30 30 PHE HA H 1 4.317 0.007 . . . . . . B 305 PHE HA . 34259 1 299 . 1 1 30 30 PHE HB2 H 1 3.401 0.007 . . . . . . B 305 PHE HB2 . 34259 1 300 . 1 1 30 30 PHE HB3 H 1 2.759 0.007 . . . . . . B 305 PHE HB3 . 34259 1 301 . 1 1 30 30 PHE HD1 H 1 7.397 0.007 . . . . . . B 305 PHE HD1 . 34259 1 302 . 1 1 30 30 PHE HD2 H 1 7.397 0.007 . . . . . . B 305 PHE HD2 . 34259 1 303 . 1 1 30 30 PHE HE1 H 1 6.856 0.005 . . . . . . B 305 PHE HE1 . 34259 1 304 . 1 1 30 30 PHE HE2 H 1 6.856 0.005 . . . . . . B 305 PHE HE2 . 34259 1 305 . 1 1 30 30 PHE HZ H 1 6.888 0.000 . . . . . . B 305 PHE HZ . 34259 1 306 . 1 1 30 30 PHE CA C 13 61.729 0.015 . . . . . . B 305 PHE CA . 34259 1 307 . 1 1 30 30 PHE CB C 13 39.787 0.059 . . . . . . B 305 PHE CB . 34259 1 308 . 1 1 30 30 PHE CD1 C 13 132.171 0.021 . . . . . . B 305 PHE CD1 . 34259 1 309 . 1 1 30 30 PHE CE1 C 13 130.409 0.038 . . . . . . B 305 PHE CE1 . 34259 1 310 . 1 1 30 30 PHE N N 15 112.623 0.027 . . . . . . B 305 PHE N . 34259 1 311 . 1 1 31 31 LYS H H 1 8.344 0.002 . . . . . . B 306 LYS H . 34259 1 312 . 1 1 31 31 LYS HA H 1 4.928 0.011 . . . . . . B 306 LYS HA . 34259 1 313 . 1 1 31 31 LYS HB2 H 1 2.153 0.006 . . . . . . B 306 LYS HB2 . 34259 1 314 . 1 1 31 31 LYS HB3 H 1 2.030 0.006 . . . . . . B 306 LYS HB3 . 34259 1 315 . 1 1 31 31 LYS HG2 H 1 1.755 0.016 . . . . . . B 306 LYS HG2 . 34259 1 316 . 1 1 31 31 LYS HG3 H 1 1.275 0.006 . . . . . . B 306 LYS HG3 . 34259 1 317 . 1 1 31 31 LYS HD2 H 1 1.724 0.004 . . . . . . B 306 LYS HD2 . 34259 1 318 . 1 1 31 31 LYS HD3 H 1 1.675 0.004 . . . . . . B 306 LYS HD3 . 34259 1 319 . 1 1 31 31 LYS HE2 H 1 2.998 0.005 . . . . . . B 306 LYS HE2 . 34259 1 320 . 1 1 31 31 LYS HE3 H 1 2.998 0.005 . . . . . . B 306 LYS HE3 . 34259 1 321 . 1 1 31 31 LYS CA C 13 58.062 0.017 . . . . . . B 306 LYS CA . 34259 1 322 . 1 1 31 31 LYS CB C 13 31.115 0.047 . . . . . . B 306 LYS CB . 34259 1 323 . 1 1 31 31 LYS CG C 13 24.053 0.029 . . . . . . B 306 LYS CG . 34259 1 324 . 1 1 31 31 LYS CD C 13 29.702 0.049 . . . . . . B 306 LYS CD . 34259 1 325 . 1 1 31 31 LYS CE C 13 41.806 0.000 . . . . . . B 306 LYS CE . 34259 1 326 . 1 1 31 31 LYS N N 15 118.866 0.014 . . . . . . B 306 LYS N . 34259 1 327 . 1 1 32 32 GLN H H 1 7.432 0.000 . . . . . . B 307 GLN H . 34259 1 328 . 1 1 32 32 GLN HA H 1 4.103 0.005 . . . . . . B 307 GLN HA . 34259 1 329 . 1 1 32 32 GLN HB2 H 1 2.004 0.005 . . . . . . B 307 GLN HB2 . 34259 1 330 . 1 1 32 32 GLN HB3 H 1 2.101 0.006 . . . . . . B 307 GLN HB3 . 34259 1 331 . 1 1 32 32 GLN HG2 H 1 2.295 0.004 . . . . . . B 307 GLN HG2 . 34259 1 332 . 1 1 32 32 GLN HG3 H 1 2.425 0.004 . . . . . . B 307 GLN HG3 . 34259 1 333 . 1 1 32 32 GLN HE21 H 1 7.593 0.007 . . . . . . B 307 GLN HE21 . 34259 1 334 . 1 1 32 32 GLN HE22 H 1 6.722 0.000 . . . . . . B 307 GLN HE22 . 34259 1 335 . 1 1 32 32 GLN CA C 13 57.430 0.000 . . . . . . B 307 GLN CA . 34259 1 336 . 1 1 32 32 GLN CB C 13 29.943 0.036 . . . . . . B 307 GLN CB . 34259 1 337 . 1 1 32 32 GLN CG C 13 34.275 0.009 . . . . . . B 307 GLN CG . 34259 1 338 . 1 1 32 32 GLN N N 15 116.083 0.010 . . . . . . B 307 GLN N . 34259 1 339 . 1 1 32 32 GLN NE2 N 15 111.788 0.010 . . . . . . B 307 GLN NE2 . 34259 1 340 . 1 1 33 33 ILE H H 1 7.775 0.003 . . . . . . B 308 ILE H . 34259 1 341 . 1 1 33 33 ILE HA H 1 4.224 0.008 . . . . . . B 308 ILE HA . 34259 1 342 . 1 1 33 33 ILE HB H 1 1.823 0.011 . . . . . . B 308 ILE HB . 34259 1 343 . 1 1 33 33 ILE HG12 H 1 1.147 0.007 . . . . . . B 308 ILE HG12 . 34259 1 344 . 1 1 33 33 ILE HG13 H 1 1.342 0.012 . . . . . . B 308 ILE HG13 . 34259 1 345 . 1 1 33 33 ILE HG21 H 1 0.820 0.012 . . . . . . B 308 ILE HG21 . 34259 1 346 . 1 1 33 33 ILE HG22 H 1 0.820 0.012 . . . . . . B 308 ILE HG22 . 34259 1 347 . 1 1 33 33 ILE HG23 H 1 0.820 0.012 . . . . . . B 308 ILE HG23 . 34259 1 348 . 1 1 33 33 ILE HD11 H 1 0.317 0.005 . . . . . . B 308 ILE HD11 . 34259 1 349 . 1 1 33 33 ILE HD12 H 1 0.317 0.005 . . . . . . B 308 ILE HD12 . 34259 1 350 . 1 1 33 33 ILE HD13 H 1 0.317 0.005 . . . . . . B 308 ILE HD13 . 34259 1 351 . 1 1 33 33 ILE CA C 13 58.100 0.014 . . . . . . B 308 ILE CA . 34259 1 352 . 1 1 33 33 ILE CB C 13 40.257 0.025 . . . . . . B 308 ILE CB . 34259 1 353 . 1 1 33 33 ILE CG1 C 13 29.604 0.016 . . . . . . B 308 ILE CG1 . 34259 1 354 . 1 1 33 33 ILE CG2 C 13 19.209 0.015 . . . . . . B 308 ILE CG2 . 34259 1 355 . 1 1 33 33 ILE CD1 C 13 11.913 0.017 . . . . . . B 308 ILE CD1 . 34259 1 356 . 1 1 33 33 ILE N N 15 116.136 0.021 . . . . . . B 308 ILE N . 34259 1 357 . 1 1 34 34 GLY H H 1 7.314 0.001 . . . . . . B 309 GLY H . 34259 1 358 . 1 1 34 34 GLY HA2 H 1 4.079 0.003 . . . . . . B 309 GLY HA2 . 34259 1 359 . 1 1 34 34 GLY HA3 H 1 3.879 0.008 . . . . . . B 309 GLY HA3 . 34259 1 360 . 1 1 34 34 GLY CA C 13 44.730 0.030 . . . . . . B 309 GLY CA . 34259 1 361 . 1 1 34 34 GLY N N 15 107.271 0.006 . . . . . . B 309 GLY N . 34259 1 362 . 1 1 35 35 ILE H H 1 8.132 0.001 . . . . . . B 310 ILE H . 34259 1 363 . 1 1 35 35 ILE HA H 1 4.070 0.004 . . . . . . B 310 ILE HA . 34259 1 364 . 1 1 35 35 ILE HB H 1 1.817 0.006 . . . . . . B 310 ILE HB . 34259 1 365 . 1 1 35 35 ILE HG12 H 1 1.268 0.003 . . . . . . B 310 ILE HG12 . 34259 1 366 . 1 1 35 35 ILE HG13 H 1 1.675 0.006 . . . . . . B 310 ILE HG13 . 34259 1 367 . 1 1 35 35 ILE HG21 H 1 0.874 0.005 . . . . . . B 310 ILE HG21 . 34259 1 368 . 1 1 35 35 ILE HG22 H 1 0.874 0.005 . . . . . . B 310 ILE HG22 . 34259 1 369 . 1 1 35 35 ILE HG23 H 1 0.874 0.005 . . . . . . B 310 ILE HG23 . 34259 1 370 . 1 1 35 35 ILE HD11 H 1 0.903 0.004 . . . . . . B 310 ILE HD11 . 34259 1 371 . 1 1 35 35 ILE HD12 H 1 0.903 0.004 . . . . . . B 310 ILE HD12 . 34259 1 372 . 1 1 35 35 ILE HD13 H 1 0.903 0.004 . . . . . . B 310 ILE HD13 . 34259 1 373 . 1 1 35 35 ILE CA C 13 61.433 0.008 . . . . . . B 310 ILE CA . 34259 1 374 . 1 1 35 35 ILE CB C 13 38.546 0.031 . . . . . . B 310 ILE CB . 34259 1 375 . 1 1 35 35 ILE CG1 C 13 27.884 0.005 . . . . . . B 310 ILE CG1 . 34259 1 376 . 1 1 35 35 ILE CG2 C 13 17.612 0.023 . . . . . . B 310 ILE CG2 . 34259 1 377 . 1 1 35 35 ILE CD1 C 13 12.218 0.050 . . . . . . B 310 ILE CD1 . 34259 1 378 . 1 1 35 35 ILE N N 15 117.780 0.024 . . . . . . B 310 ILE N . 34259 1 379 . 1 1 36 36 ILE H H 1 8.588 0.004 . . . . . . B 311 ILE H . 34259 1 380 . 1 1 36 36 ILE HA H 1 3.787 0.005 . . . . . . B 311 ILE HA . 34259 1 381 . 1 1 36 36 ILE HB H 1 1.654 0.008 . . . . . . B 311 ILE HB . 34259 1 382 . 1 1 36 36 ILE HG12 H 1 0.523 0.006 . . . . . . B 311 ILE HG12 . 34259 1 383 . 1 1 36 36 ILE HG13 H 1 0.523 0.006 . . . . . . B 311 ILE HG13 . 34259 1 384 . 1 1 36 36 ILE HG21 H 1 0.806 0.006 . . . . . . B 311 ILE HG21 . 34259 1 385 . 1 1 36 36 ILE HG22 H 1 0.806 0.006 . . . . . . B 311 ILE HG22 . 34259 1 386 . 1 1 36 36 ILE HG23 H 1 0.806 0.006 . . . . . . B 311 ILE HG23 . 34259 1 387 . 1 1 36 36 ILE HD11 H 1 0.723 0.010 . . . . . . B 311 ILE HD11 . 34259 1 388 . 1 1 36 36 ILE HD12 H 1 0.723 0.010 . . . . . . B 311 ILE HD12 . 34259 1 389 . 1 1 36 36 ILE HD13 H 1 0.723 0.010 . . . . . . B 311 ILE HD13 . 34259 1 390 . 1 1 36 36 ILE CA C 13 61.100 0.024 . . . . . . B 311 ILE CA . 34259 1 391 . 1 1 36 36 ILE CB C 13 37.856 0.046 . . . . . . B 311 ILE CB . 34259 1 392 . 1 1 36 36 ILE CG1 C 13 28.643 0.051 . . . . . . B 311 ILE CG1 . 34259 1 393 . 1 1 36 36 ILE CG2 C 13 16.657 0.027 . . . . . . B 311 ILE CG2 . 34259 1 394 . 1 1 36 36 ILE CD1 C 13 13.688 0.040 . . . . . . B 311 ILE CD1 . 34259 1 395 . 1 1 36 36 ILE N N 15 131.503 0.016 . . . . . . B 311 ILE N . 34259 1 396 . 1 1 37 37 LYS H H 1 8.640 0.005 . . . . . . B 312 LYS H . 34259 1 397 . 1 1 37 37 LYS HA H 1 4.046 0.006 . . . . . . B 312 LYS HA . 34259 1 398 . 1 1 37 37 LYS HB2 H 1 1.473 0.005 . . . . . . B 312 LYS HB2 . 34259 1 399 . 1 1 37 37 LYS HB3 H 1 1.199 0.006 . . . . . . B 312 LYS HB3 . 34259 1 400 . 1 1 37 37 LYS HG2 H 1 1.486 0.000 . . . . . . B 312 LYS HG2 . 34259 1 401 . 1 1 37 37 LYS HG3 H 1 1.382 0.004 . . . . . . B 312 LYS HG3 . 34259 1 402 . 1 1 37 37 LYS HD2 H 1 1.609 0.005 . . . . . . B 312 LYS HD2 . 34259 1 403 . 1 1 37 37 LYS HD3 H 1 1.609 0.005 . . . . . . B 312 LYS HD3 . 34259 1 404 . 1 1 37 37 LYS HE2 H 1 3.068 0.011 . . . . . . B 312 LYS HE2 . 34259 1 405 . 1 1 37 37 LYS HE3 H 1 3.068 0.011 . . . . . . B 312 LYS HE3 . 34259 1 406 . 1 1 37 37 LYS CA C 13 57.398 0.054 . . . . . . B 312 LYS CA . 34259 1 407 . 1 1 37 37 LYS CB C 13 33.713 0.028 . . . . . . B 312 LYS CB . 34259 1 408 . 1 1 37 37 LYS CG C 13 25.108 0.002 . . . . . . B 312 LYS CG . 34259 1 409 . 1 1 37 37 LYS CD C 13 29.675 0.035 . . . . . . B 312 LYS CD . 34259 1 410 . 1 1 37 37 LYS CE C 13 41.567 0.012 . . . . . . B 312 LYS CE . 34259 1 411 . 1 1 37 37 LYS N N 15 130.310 0.013 . . . . . . B 312 LYS N . 34259 1 412 . 1 1 38 38 THR H H 1 8.416 0.001 . . . . . . B 313 THR H . 34259 1 413 . 1 1 38 38 THR HA H 1 4.347 0.005 . . . . . . B 313 THR HA . 34259 1 414 . 1 1 38 38 THR HB H 1 3.727 0.003 . . . . . . B 313 THR HB . 34259 1 415 . 1 1 38 38 THR HG21 H 1 0.865 0.006 . . . . . . B 313 THR HG21 . 34259 1 416 . 1 1 38 38 THR HG22 H 1 0.865 0.006 . . . . . . B 313 THR HG22 . 34259 1 417 . 1 1 38 38 THR HG23 H 1 0.865 0.006 . . . . . . B 313 THR HG23 . 34259 1 418 . 1 1 38 38 THR CA C 13 61.292 0.008 . . . . . . B 313 THR CA . 34259 1 419 . 1 1 38 38 THR CB C 13 70.372 0.000 . . . . . . B 313 THR CB . 34259 1 420 . 1 1 38 38 THR CG2 C 13 21.271 0.004 . . . . . . B 313 THR CG2 . 34259 1 421 . 1 1 38 38 THR N N 15 118.474 0.018 . . . . . . B 313 THR N . 34259 1 422 . 1 1 39 39 ASN H H 1 8.820 0.001 . . . . . . B 314 ASN H . 34259 1 423 . 1 1 39 39 ASN HA H 1 4.514 0.005 . . . . . . B 314 ASN HA . 34259 1 424 . 1 1 39 39 ASN HB2 H 1 3.237 0.005 . . . . . . B 314 ASN HB2 . 34259 1 425 . 1 1 39 39 ASN HB3 H 1 2.525 0.004 . . . . . . B 314 ASN HB3 . 34259 1 426 . 1 1 39 39 ASN HD21 H 1 7.643 0.001 . . . . . . B 314 ASN HD21 . 34259 1 427 . 1 1 39 39 ASN HD22 H 1 7.204 0.001 . . . . . . B 314 ASN HD22 . 34259 1 428 . 1 1 39 39 ASN CA C 13 53.147 0.016 . . . . . . B 314 ASN CA . 34259 1 429 . 1 1 39 39 ASN CB C 13 39.010 0.036 . . . . . . B 314 ASN CB . 34259 1 430 . 1 1 39 39 ASN N N 15 124.725 0.026 . . . . . . B 314 ASN N . 34259 1 431 . 1 1 39 39 ASN ND2 N 15 114.369 0.036 . . . . . . B 314 ASN ND2 . 34259 1 432 . 1 1 40 40 LYS H H 1 8.991 0.005 . . . . . . B 315 LYS H . 34259 1 433 . 1 1 40 40 LYS HA H 1 3.979 0.006 . . . . . . B 315 LYS HA . 34259 1 434 . 1 1 40 40 LYS HB2 H 1 1.847 0.007 . . . . . . B 315 LYS HB2 . 34259 1 435 . 1 1 40 40 LYS HB3 H 1 1.847 0.007 . . . . . . B 315 LYS HB3 . 34259 1 436 . 1 1 40 40 LYS HG2 H 1 1.496 0.005 . . . . . . B 315 LYS HG2 . 34259 1 437 . 1 1 40 40 LYS HG3 H 1 1.496 0.005 . . . . . . B 315 LYS HG3 . 34259 1 438 . 1 1 40 40 LYS HD2 H 1 1.667 0.000 . . . . . . B 315 LYS HD2 . 34259 1 439 . 1 1 40 40 LYS HD3 H 1 1.667 0.000 . . . . . . B 315 LYS HD3 . 34259 1 440 . 1 1 40 40 LYS HE2 H 1 3.017 0.000 . . . . . . B 315 LYS HE2 . 34259 1 441 . 1 1 40 40 LYS HE3 H 1 3.017 0.000 . . . . . . B 315 LYS HE3 . 34259 1 442 . 1 1 40 40 LYS CA C 13 58.498 0.013 . . . . . . B 315 LYS CA . 34259 1 443 . 1 1 40 40 LYS CB C 13 32.195 0.000 . . . . . . B 315 LYS CB . 34259 1 444 . 1 1 40 40 LYS CG C 13 24.928 0.021 . . . . . . B 315 LYS CG . 34259 1 445 . 1 1 40 40 LYS CE C 13 41.747 0.000 . . . . . . B 315 LYS CE . 34259 1 446 . 1 1 40 40 LYS N N 15 128.381 0.007 . . . . . . B 315 LYS N . 34259 1 447 . 1 1 41 41 LYS H H 1 8.324 0.002 . . . . . . B 316 LYS H . 34259 1 448 . 1 1 41 41 LYS HA H 1 4.247 0.004 . . . . . . B 316 LYS HA . 34259 1 449 . 1 1 41 41 LYS HB2 H 1 1.932 0.003 . . . . . . B 316 LYS HB2 . 34259 1 450 . 1 1 41 41 LYS HB3 H 1 1.932 0.003 . . . . . . B 316 LYS HB3 . 34259 1 451 . 1 1 41 41 LYS HG2 H 1 1.505 0.000 . . . . . . B 316 LYS HG2 . 34259 1 452 . 1 1 41 41 LYS HG3 H 1 1.383 0.008 . . . . . . B 316 LYS HG3 . 34259 1 453 . 1 1 41 41 LYS HD2 H 1 1.692 0.009 . . . . . . B 316 LYS HD2 . 34259 1 454 . 1 1 41 41 LYS HD3 H 1 1.692 0.009 . . . . . . B 316 LYS HD3 . 34259 1 455 . 1 1 41 41 LYS HE2 H 1 2.987 0.003 . . . . . . B 316 LYS HE2 . 34259 1 456 . 1 1 41 41 LYS HE3 H 1 2.987 0.003 . . . . . . B 316 LYS HE3 . 34259 1 457 . 1 1 41 41 LYS CA C 13 58.156 0.012 . . . . . . B 316 LYS CA . 34259 1 458 . 1 1 41 41 LYS CB C 13 32.792 0.007 . . . . . . B 316 LYS CB . 34259 1 459 . 1 1 41 41 LYS CG C 13 25.376 0.000 . . . . . . B 316 LYS CG . 34259 1 460 . 1 1 41 41 LYS N N 15 117.495 0.009 . . . . . . B 316 LYS N . 34259 1 461 . 1 1 42 42 THR H H 1 7.485 0.001 . . . . . . B 317 THR H . 34259 1 462 . 1 1 42 42 THR HA H 1 4.437 0.006 . . . . . . B 317 THR HA . 34259 1 463 . 1 1 42 42 THR HB H 1 4.378 0.006 . . . . . . B 317 THR HB . 34259 1 464 . 1 1 42 42 THR HG1 H 1 5.642 0.001 . . . . . . B 317 THR HG1 . 34259 1 465 . 1 1 42 42 THR HG21 H 1 1.117 0.004 . . . . . . B 317 THR HG21 . 34259 1 466 . 1 1 42 42 THR HG22 H 1 1.117 0.004 . . . . . . B 317 THR HG22 . 34259 1 467 . 1 1 42 42 THR HG23 H 1 1.117 0.004 . . . . . . B 317 THR HG23 . 34259 1 468 . 1 1 42 42 THR CA C 13 61.081 0.022 . . . . . . B 317 THR CA . 34259 1 469 . 1 1 42 42 THR CB C 13 70.803 0.010 . . . . . . B 317 THR CB . 34259 1 470 . 1 1 42 42 THR CG2 C 13 20.961 0.041 . . . . . . B 317 THR CG2 . 34259 1 471 . 1 1 42 42 THR N N 15 105.570 0.016 . . . . . . B 317 THR N . 34259 1 472 . 1 1 43 43 GLY H H 1 8.578 0.002 . . . . . . B 318 GLY H . 34259 1 473 . 1 1 43 43 GLY HA2 H 1 3.662 0.007 . . . . . . B 318 GLY HA2 . 34259 1 474 . 1 1 43 43 GLY HA3 H 1 4.158 0.003 . . . . . . B 318 GLY HA3 . 34259 1 475 . 1 1 43 43 GLY CA C 13 45.598 0.044 . . . . . . B 318 GLY CA . 34259 1 476 . 1 1 43 43 GLY N N 15 111.407 0.012 . . . . . . B 318 GLY N . 34259 1 477 . 1 1 44 44 GLN H H 1 7.645 0.001 . . . . . . B 319 GLN H . 34259 1 478 . 1 1 44 44 GLN HA H 1 4.655 0.006 . . . . . . B 319 GLN HA . 34259 1 479 . 1 1 44 44 GLN HB2 H 1 2.195 0.006 . . . . . . B 319 GLN HB2 . 34259 1 480 . 1 1 44 44 GLN HB3 H 1 1.783 0.005 . . . . . . B 319 GLN HB3 . 34259 1 481 . 1 1 44 44 GLN HG2 H 1 2.310 0.005 . . . . . . B 319 GLN HG2 . 34259 1 482 . 1 1 44 44 GLN HG3 H 1 2.393 0.007 . . . . . . B 319 GLN HG3 . 34259 1 483 . 1 1 44 44 GLN HE21 H 1 7.494 0.000 . . . . . . B 319 GLN HE21 . 34259 1 484 . 1 1 44 44 GLN HE22 H 1 6.902 0.001 . . . . . . B 319 GLN HE22 . 34259 1 485 . 1 1 44 44 GLN CA C 13 53.314 0.021 . . . . . . B 319 GLN CA . 34259 1 486 . 1 1 44 44 GLN CB C 13 28.909 0.040 . . . . . . B 319 GLN CB . 34259 1 487 . 1 1 44 44 GLN CG C 13 33.165 0.025 . . . . . . B 319 GLN CG . 34259 1 488 . 1 1 44 44 GLN N N 15 118.901 0.008 . . . . . . B 319 GLN N . 34259 1 489 . 1 1 44 44 GLN NE2 N 15 112.745 0.018 . . . . . . B 319 GLN NE2 . 34259 1 490 . 1 1 45 45 PRO HA H 1 4.576 0.008 . . . . . . B 320 PRO HA . 34259 1 491 . 1 1 45 45 PRO HB2 H 1 1.552 0.005 . . . . . . B 320 PRO HB2 . 34259 1 492 . 1 1 45 45 PRO HB3 H 1 2.198 0.004 . . . . . . B 320 PRO HB3 . 34259 1 493 . 1 1 45 45 PRO HG2 H 1 1.980 0.008 . . . . . . B 320 PRO HG2 . 34259 1 494 . 1 1 45 45 PRO HG3 H 1 1.927 0.002 . . . . . . B 320 PRO HG3 . 34259 1 495 . 1 1 45 45 PRO HD2 H 1 3.810 0.004 . . . . . . B 320 PRO HD2 . 34259 1 496 . 1 1 45 45 PRO HD3 H 1 3.647 0.005 . . . . . . B 320 PRO HD3 . 34259 1 497 . 1 1 45 45 PRO CA C 13 62.788 0.012 . . . . . . B 320 PRO CA . 34259 1 498 . 1 1 45 45 PRO CB C 13 32.552 0.039 . . . . . . B 320 PRO CB . 34259 1 499 . 1 1 45 45 PRO CG C 13 27.375 0.030 . . . . . . B 320 PRO CG . 34259 1 500 . 1 1 45 45 PRO CD C 13 50.349 0.026 . . . . . . B 320 PRO CD . 34259 1 501 . 1 1 46 46 MET H H 1 8.809 0.001 . . . . . . B 321 MET H . 34259 1 502 . 1 1 46 46 MET HA H 1 4.412 0.008 . . . . . . B 321 MET HA . 34259 1 503 . 1 1 46 46 MET HB2 H 1 1.620 0.005 . . . . . . B 321 MET HB2 . 34259 1 504 . 1 1 46 46 MET HB3 H 1 2.034 0.006 . . . . . . B 321 MET HB3 . 34259 1 505 . 1 1 46 46 MET HG2 H 1 2.371 0.005 . . . . . . B 321 MET HG2 . 34259 1 506 . 1 1 46 46 MET HG3 H 1 2.256 0.008 . . . . . . B 321 MET HG3 . 34259 1 507 . 1 1 46 46 MET HE1 H 1 2.013 0.003 . . . . . . B 321 MET HE1 . 34259 1 508 . 1 1 46 46 MET HE2 H 1 2.013 0.003 . . . . . . B 321 MET HE2 . 34259 1 509 . 1 1 46 46 MET HE3 H 1 2.013 0.003 . . . . . . B 321 MET HE3 . 34259 1 510 . 1 1 46 46 MET CA C 13 55.442 0.063 . . . . . . B 321 MET CA . 34259 1 511 . 1 1 46 46 MET CB C 13 30.535 0.020 . . . . . . B 321 MET CB . 34259 1 512 . 1 1 46 46 MET CG C 13 32.727 0.040 . . . . . . B 321 MET CG . 34259 1 513 . 1 1 46 46 MET CE C 13 17.225 0.020 . . . . . . B 321 MET CE . 34259 1 514 . 1 1 46 46 MET N N 15 124.490 0.032 . . . . . . B 321 MET N . 34259 1 515 . 1 1 47 47 ILE H H 1 7.674 0.002 . . . . . . B 322 ILE H . 34259 1 516 . 1 1 47 47 ILE HA H 1 4.764 0.005 . . . . . . B 322 ILE HA . 34259 1 517 . 1 1 47 47 ILE HB H 1 1.440 0.002 . . . . . . B 322 ILE HB . 34259 1 518 . 1 1 47 47 ILE HG12 H 1 1.421 0.005 . . . . . . B 322 ILE HG12 . 34259 1 519 . 1 1 47 47 ILE HG13 H 1 0.988 0.010 . . . . . . B 322 ILE HG13 . 34259 1 520 . 1 1 47 47 ILE HG21 H 1 0.688 0.010 . . . . . . B 322 ILE HG21 . 34259 1 521 . 1 1 47 47 ILE HG22 H 1 0.688 0.010 . . . . . . B 322 ILE HG22 . 34259 1 522 . 1 1 47 47 ILE HG23 H 1 0.688 0.010 . . . . . . B 322 ILE HG23 . 34259 1 523 . 1 1 47 47 ILE HD11 H 1 0.847 0.008 . . . . . . B 322 ILE HD11 . 34259 1 524 . 1 1 47 47 ILE HD12 H 1 0.847 0.008 . . . . . . B 322 ILE HD12 . 34259 1 525 . 1 1 47 47 ILE HD13 H 1 0.847 0.008 . . . . . . B 322 ILE HD13 . 34259 1 526 . 1 1 47 47 ILE CA C 13 59.053 0.023 . . . . . . B 322 ILE CA . 34259 1 527 . 1 1 47 47 ILE CB C 13 42.142 0.093 . . . . . . B 322 ILE CB . 34259 1 528 . 1 1 47 47 ILE CG1 C 13 27.844 0.030 . . . . . . B 322 ILE CG1 . 34259 1 529 . 1 1 47 47 ILE CG2 C 13 16.512 0.008 . . . . . . B 322 ILE CG2 . 34259 1 530 . 1 1 47 47 ILE CD1 C 13 14.361 0.032 . . . . . . B 322 ILE CD1 . 34259 1 531 . 1 1 47 47 ILE N N 15 125.879 0.020 . . . . . . B 322 ILE N . 34259 1 532 . 1 1 48 48 ASN H H 1 8.315 0.003 . . . . . . B 323 ASN H . 34259 1 533 . 1 1 48 48 ASN HA H 1 4.880 0.011 . . . . . . B 323 ASN HA . 34259 1 534 . 1 1 48 48 ASN HB2 H 1 2.591 0.009 . . . . . . B 323 ASN HB2 . 34259 1 535 . 1 1 48 48 ASN HB3 H 1 2.336 0.004 . . . . . . B 323 ASN HB3 . 34259 1 536 . 1 1 48 48 ASN HD21 H 1 6.963 0.001 . . . . . . B 323 ASN HD21 . 34259 1 537 . 1 1 48 48 ASN HD22 H 1 6.799 0.006 . . . . . . B 323 ASN HD22 . 34259 1 538 . 1 1 48 48 ASN CA C 13 51.230 0.029 . . . . . . B 323 ASN CA . 34259 1 539 . 1 1 48 48 ASN CB C 13 40.288 0.034 . . . . . . B 323 ASN CB . 34259 1 540 . 1 1 48 48 ASN N N 15 124.613 0.062 . . . . . . B 323 ASN N . 34259 1 541 . 1 1 48 48 ASN ND2 N 15 112.398 0.038 . . . . . . B 323 ASN ND2 . 34259 1 542 . 1 1 49 49 LEU H H 1 8.430 0.001 . . . . . . B 324 LEU H . 34259 1 543 . 1 1 49 49 LEU HA H 1 4.626 0.005 . . . . . . B 324 LEU HA . 34259 1 544 . 1 1 49 49 LEU HB2 H 1 1.671 0.007 . . . . . . B 324 LEU HB2 . 34259 1 545 . 1 1 49 49 LEU HB3 H 1 1.345 0.009 . . . . . . B 324 LEU HB3 . 34259 1 546 . 1 1 49 49 LEU HG H 1 1.444 0.006 . . . . . . B 324 LEU HG . 34259 1 547 . 1 1 49 49 LEU HD11 H 1 0.721 0.009 . . . . . . B 324 LEU HD11 . 34259 1 548 . 1 1 49 49 LEU HD12 H 1 0.721 0.009 . . . . . . B 324 LEU HD12 . 34259 1 549 . 1 1 49 49 LEU HD13 H 1 0.721 0.009 . . . . . . B 324 LEU HD13 . 34259 1 550 . 1 1 49 49 LEU HD21 H 1 0.582 0.009 . . . . . . B 324 LEU HD21 . 34259 1 551 . 1 1 49 49 LEU HD22 H 1 0.582 0.009 . . . . . . B 324 LEU HD22 . 34259 1 552 . 1 1 49 49 LEU HD23 H 1 0.582 0.009 . . . . . . B 324 LEU HD23 . 34259 1 553 . 1 1 49 49 LEU CA C 13 52.967 0.045 . . . . . . B 324 LEU CA . 34259 1 554 . 1 1 49 49 LEU CB C 13 42.123 0.019 . . . . . . B 324 LEU CB . 34259 1 555 . 1 1 49 49 LEU CG C 13 26.546 0.049 . . . . . . B 324 LEU CG . 34259 1 556 . 1 1 49 49 LEU CD1 C 13 25.774 0.015 . . . . . . B 324 LEU CD1 . 34259 1 557 . 1 1 49 49 LEU CD2 C 13 23.829 0.049 . . . . . . B 324 LEU CD2 . 34259 1 558 . 1 1 49 49 LEU N N 15 121.874 0.017 . . . . . . B 324 LEU N . 34259 1 559 . 1 1 50 50 TYR H H 1 7.333 0.005 . . . . . . B 325 TYR H . 34259 1 560 . 1 1 50 50 TYR HA H 1 4.702 0.006 . . . . . . B 325 TYR HA . 34259 1 561 . 1 1 50 50 TYR HB2 H 1 3.224 0.004 . . . . . . B 325 TYR HB2 . 34259 1 562 . 1 1 50 50 TYR HB3 H 1 2.660 0.010 . . . . . . B 325 TYR HB3 . 34259 1 563 . 1 1 50 50 TYR HD1 H 1 7.058 0.005 . . . . . . B 325 TYR HD1 . 34259 1 564 . 1 1 50 50 TYR HD2 H 1 7.058 0.005 . . . . . . B 325 TYR HD2 . 34259 1 565 . 1 1 50 50 TYR HE1 H 1 6.800 0.004 . . . . . . B 325 TYR HE1 . 34259 1 566 . 1 1 50 50 TYR HE2 H 1 6.800 0.004 . . . . . . B 325 TYR HE2 . 34259 1 567 . 1 1 50 50 TYR CA C 13 58.358 0.034 . . . . . . B 325 TYR CA . 34259 1 568 . 1 1 50 50 TYR CB C 13 39.344 0.045 . . . . . . B 325 TYR CB . 34259 1 569 . 1 1 50 50 TYR CD1 C 13 132.266 0.021 . . . . . . B 325 TYR CD1 . 34259 1 570 . 1 1 50 50 TYR CE1 C 13 118.432 0.046 . . . . . . B 325 TYR CE1 . 34259 1 571 . 1 1 50 50 TYR N N 15 121.626 0.036 . . . . . . B 325 TYR N . 34259 1 572 . 1 1 51 51 THR H H 1 9.132 0.005 . . . . . . B 326 THR H . 34259 1 573 . 1 1 51 51 THR HA H 1 4.810 0.004 . . . . . . B 326 THR HA . 34259 1 574 . 1 1 51 51 THR HB H 1 3.826 0.005 . . . . . . B 326 THR HB . 34259 1 575 . 1 1 51 51 THR HG21 H 1 1.025 0.006 . . . . . . B 326 THR HG21 . 34259 1 576 . 1 1 51 51 THR HG22 H 1 1.025 0.006 . . . . . . B 326 THR HG22 . 34259 1 577 . 1 1 51 51 THR HG23 H 1 1.025 0.006 . . . . . . B 326 THR HG23 . 34259 1 578 . 1 1 51 51 THR CA C 13 60.513 0.006 . . . . . . B 326 THR CA . 34259 1 579 . 1 1 51 51 THR CB C 13 71.481 0.011 . . . . . . B 326 THR CB . 34259 1 580 . 1 1 51 51 THR CG2 C 13 21.823 0.022 . . . . . . B 326 THR CG2 . 34259 1 581 . 1 1 51 51 THR N N 15 116.566 0.009 . . . . . . B 326 THR N . 34259 1 582 . 1 1 52 52 ASP H H 1 8.883 0.002 . . . . . . B 327 ASP H . 34259 1 583 . 1 1 52 52 ASP HA H 1 4.620 0.004 . . . . . . B 327 ASP HA . 34259 1 584 . 1 1 52 52 ASP HB2 H 1 2.424 0.006 . . . . . . B 327 ASP HB2 . 34259 1 585 . 1 1 52 52 ASP HB3 H 1 3.044 0.006 . . . . . . B 327 ASP HB3 . 34259 1 586 . 1 1 52 52 ASP CA C 13 53.609 0.014 . . . . . . B 327 ASP CA . 34259 1 587 . 1 1 52 52 ASP CB C 13 42.666 0.035 . . . . . . B 327 ASP CB . 34259 1 588 . 1 1 52 52 ASP N N 15 123.487 0.015 . . . . . . B 327 ASP N . 34259 1 589 . 1 1 53 53 ARG H H 1 8.931 0.002 . . . . . . B 328 ARG H . 34259 1 590 . 1 1 53 53 ARG HA H 1 3.987 0.004 . . . . . . B 328 ARG HA . 34259 1 591 . 1 1 53 53 ARG HB2 H 1 1.841 0.004 . . . . . . B 328 ARG HB2 . 34259 1 592 . 1 1 53 53 ARG HB3 H 1 1.841 0.004 . . . . . . B 328 ARG HB3 . 34259 1 593 . 1 1 53 53 ARG HG2 H 1 1.636 0.003 . . . . . . B 328 ARG HG2 . 34259 1 594 . 1 1 53 53 ARG HG3 H 1 1.636 0.003 . . . . . . B 328 ARG HG3 . 34259 1 595 . 1 1 53 53 ARG HD2 H 1 3.125 0.003 . . . . . . B 328 ARG HD2 . 34259 1 596 . 1 1 53 53 ARG HD3 H 1 3.125 0.003 . . . . . . B 328 ARG HD3 . 34259 1 597 . 1 1 53 53 ARG HE H 1 7.187 0.000 . . . . . . B 328 ARG HE . 34259 1 598 . 1 1 53 53 ARG CA C 13 58.517 0.032 . . . . . . B 328 ARG CA . 34259 1 599 . 1 1 53 53 ARG CB C 13 29.994 0.002 . . . . . . B 328 ARG CB . 34259 1 600 . 1 1 53 53 ARG CG C 13 27.111 0.016 . . . . . . B 328 ARG CG . 34259 1 601 . 1 1 53 53 ARG CD C 13 43.026 0.005 . . . . . . B 328 ARG CD . 34259 1 602 . 1 1 53 53 ARG N N 15 128.041 0.011 . . . . . . B 328 ARG N . 34259 1 603 . 1 1 53 53 ARG NE N 15 84.305 0.000 . . . . . . B 328 ARG NE . 34259 1 604 . 1 1 54 54 GLU H H 1 8.509 0.001 . . . . . . B 329 GLU H . 34259 1 605 . 1 1 54 54 GLU HA H 1 4.231 0.005 . . . . . . B 329 GLU HA . 34259 1 606 . 1 1 54 54 GLU HB2 H 1 2.134 0.005 . . . . . . B 329 GLU HB2 . 34259 1 607 . 1 1 54 54 GLU HB3 H 1 2.134 0.005 . . . . . . B 329 GLU HB3 . 34259 1 608 . 1 1 54 54 GLU HG2 H 1 2.300 0.007 . . . . . . B 329 GLU HG2 . 34259 1 609 . 1 1 54 54 GLU HG3 H 1 2.210 0.001 . . . . . . B 329 GLU HG3 . 34259 1 610 . 1 1 54 54 GLU CA C 13 58.416 0.000 . . . . . . B 329 GLU CA . 34259 1 611 . 1 1 54 54 GLU CB C 13 30.145 0.007 . . . . . . B 329 GLU CB . 34259 1 612 . 1 1 54 54 GLU CG C 13 36.436 0.099 . . . . . . B 329 GLU CG . 34259 1 613 . 1 1 54 54 GLU N N 15 117.266 0.005 . . . . . . B 329 GLU N . 34259 1 614 . 1 1 55 55 THR H H 1 7.929 0.001 . . . . . . B 330 THR H . 34259 1 615 . 1 1 55 55 THR HA H 1 4.427 0.005 . . . . . . B 330 THR HA . 34259 1 616 . 1 1 55 55 THR HB H 1 4.310 0.003 . . . . . . B 330 THR HB . 34259 1 617 . 1 1 55 55 THR HG21 H 1 1.205 0.003 . . . . . . B 330 THR HG21 . 34259 1 618 . 1 1 55 55 THR HG22 H 1 1.205 0.003 . . . . . . B 330 THR HG22 . 34259 1 619 . 1 1 55 55 THR HG23 H 1 1.205 0.003 . . . . . . B 330 THR HG23 . 34259 1 620 . 1 1 55 55 THR CA C 13 61.681 0.013 . . . . . . B 330 THR CA . 34259 1 621 . 1 1 55 55 THR CB C 13 71.100 0.023 . . . . . . B 330 THR CB . 34259 1 622 . 1 1 55 55 THR CG2 C 13 20.979 0.011 . . . . . . B 330 THR CG2 . 34259 1 623 . 1 1 55 55 THR N N 15 106.361 0.018 . . . . . . B 330 THR N . 34259 1 624 . 1 1 56 56 GLY H H 1 8.460 0.006 . . . . . . B 331 GLY H . 34259 1 625 . 1 1 56 56 GLY HA2 H 1 4.177 0.007 . . . . . . B 331 GLY HA2 . 34259 1 626 . 1 1 56 56 GLY HA3 H 1 3.753 0.008 . . . . . . B 331 GLY HA3 . 34259 1 627 . 1 1 56 56 GLY CA C 13 45.497 0.007 . . . . . . B 331 GLY CA . 34259 1 628 . 1 1 56 56 GLY N N 15 111.394 0.019 . . . . . . B 331 GLY N . 34259 1 629 . 1 1 57 57 LYS H H 1 7.696 0.003 . . . . . . B 332 LYS H . 34259 1 630 . 1 1 57 57 LYS HA H 1 4.345 0.006 . . . . . . B 332 LYS HA . 34259 1 631 . 1 1 57 57 LYS HB2 H 1 1.816 0.007 . . . . . . B 332 LYS HB2 . 34259 1 632 . 1 1 57 57 LYS HB3 H 1 1.655 0.001 . . . . . . B 332 LYS HB3 . 34259 1 633 . 1 1 57 57 LYS HG2 H 1 1.409 0.009 . . . . . . B 332 LYS HG2 . 34259 1 634 . 1 1 57 57 LYS HG3 H 1 1.409 0.009 . . . . . . B 332 LYS HG3 . 34259 1 635 . 1 1 57 57 LYS HD2 H 1 1.665 0.000 . . . . . . B 332 LYS HD2 . 34259 1 636 . 1 1 57 57 LYS HD3 H 1 1.665 0.000 . . . . . . B 332 LYS HD3 . 34259 1 637 . 1 1 57 57 LYS HE2 H 1 2.974 0.003 . . . . . . B 332 LYS HE2 . 34259 1 638 . 1 1 57 57 LYS HE3 H 1 2.974 0.003 . . . . . . B 332 LYS HE3 . 34259 1 639 . 1 1 57 57 LYS CA C 13 55.529 0.041 . . . . . . B 332 LYS CA . 34259 1 640 . 1 1 57 57 LYS CB C 13 33.738 0.028 . . . . . . B 332 LYS CB . 34259 1 641 . 1 1 57 57 LYS CG C 13 25.029 0.000 . . . . . . B 332 LYS CG . 34259 1 642 . 1 1 57 57 LYS CD C 13 28.831 0.000 . . . . . . B 332 LYS CD . 34259 1 643 . 1 1 57 57 LYS N N 15 119.438 0.008 . . . . . . B 332 LYS N . 34259 1 644 . 1 1 58 58 LEU H H 1 8.715 0.004 . . . . . . B 333 LEU H . 34259 1 645 . 1 1 58 58 LEU HA H 1 4.329 0.006 . . . . . . B 333 LEU HA . 34259 1 646 . 1 1 58 58 LEU HB2 H 1 1.869 0.005 . . . . . . B 333 LEU HB2 . 34259 1 647 . 1 1 58 58 LEU HB3 H 1 1.505 0.005 . . . . . . B 333 LEU HB3 . 34259 1 648 . 1 1 58 58 LEU HG H 1 1.803 0.005 . . . . . . B 333 LEU HG . 34259 1 649 . 1 1 58 58 LEU HD11 H 1 0.982 0.004 . . . . . . B 333 LEU HD11 . 34259 1 650 . 1 1 58 58 LEU HD12 H 1 0.982 0.004 . . . . . . B 333 LEU HD12 . 34259 1 651 . 1 1 58 58 LEU HD13 H 1 0.982 0.004 . . . . . . B 333 LEU HD13 . 34259 1 652 . 1 1 58 58 LEU HD21 H 1 0.813 0.006 . . . . . . B 333 LEU HD21 . 34259 1 653 . 1 1 58 58 LEU HD22 H 1 0.813 0.006 . . . . . . B 333 LEU HD22 . 34259 1 654 . 1 1 58 58 LEU HD23 H 1 0.813 0.006 . . . . . . B 333 LEU HD23 . 34259 1 655 . 1 1 58 58 LEU CA C 13 56.202 0.018 . . . . . . B 333 LEU CA . 34259 1 656 . 1 1 58 58 LEU CB C 13 41.543 0.023 . . . . . . B 333 LEU CB . 34259 1 657 . 1 1 58 58 LEU CG C 13 27.590 0.008 . . . . . . B 333 LEU CG . 34259 1 658 . 1 1 58 58 LEU CD1 C 13 26.346 0.034 . . . . . . B 333 LEU CD1 . 34259 1 659 . 1 1 58 58 LEU CD2 C 13 23.972 0.036 . . . . . . B 333 LEU CD2 . 34259 1 660 . 1 1 58 58 LEU N N 15 122.413 0.018 . . . . . . B 333 LEU N . 34259 1 661 . 1 1 59 59 LYS H H 1 8.022 0.002 . . . . . . B 334 LYS H . 34259 1 662 . 1 1 59 59 LYS HA H 1 4.245 0.004 . . . . . . B 334 LYS HA . 34259 1 663 . 1 1 59 59 LYS HB2 H 1 1.857 0.004 . . . . . . B 334 LYS HB2 . 34259 1 664 . 1 1 59 59 LYS HB3 H 1 1.538 0.045 . . . . . . B 334 LYS HB3 . 34259 1 665 . 1 1 59 59 LYS HG2 H 1 1.402 0.008 . . . . . . B 334 LYS HG2 . 34259 1 666 . 1 1 59 59 LYS HG3 H 1 1.521 0.000 . . . . . . B 334 LYS HG3 . 34259 1 667 . 1 1 59 59 LYS HD2 H 1 1.666 0.000 . . . . . . B 334 LYS HD2 . 34259 1 668 . 1 1 59 59 LYS HD3 H 1 1.594 0.003 . . . . . . B 334 LYS HD3 . 34259 1 669 . 1 1 59 59 LYS HE2 H 1 2.965 0.000 . . . . . . B 334 LYS HE2 . 34259 1 670 . 1 1 59 59 LYS HE3 H 1 2.923 0.000 . . . . . . B 334 LYS HE3 . 34259 1 671 . 1 1 59 59 LYS CA C 13 56.510 0.002 . . . . . . B 334 LYS CA . 34259 1 672 . 1 1 59 59 LYS CB C 13 34.127 0.010 . . . . . . B 334 LYS CB . 34259 1 673 . 1 1 59 59 LYS CD C 13 29.288 0.040 . . . . . . B 334 LYS CD . 34259 1 674 . 1 1 59 59 LYS CE C 13 41.217 0.005 . . . . . . B 334 LYS CE . 34259 1 675 . 1 1 59 59 LYS N N 15 117.997 0.033 . . . . . . B 334 LYS N . 34259 1 676 . 1 1 60 60 GLY H H 1 8.297 0.001 . . . . . . B 335 GLY H . 34259 1 677 . 1 1 60 60 GLY HA2 H 1 4.229 0.004 . . . . . . B 335 GLY HA2 . 34259 1 678 . 1 1 60 60 GLY HA3 H 1 3.694 0.006 . . . . . . B 335 GLY HA3 . 34259 1 679 . 1 1 60 60 GLY CA C 13 46.169 0.048 . . . . . . B 335 GLY CA . 34259 1 680 . 1 1 60 60 GLY N N 15 108.163 0.008 . . . . . . B 335 GLY N . 34259 1 681 . 1 1 61 61 GLU H H 1 7.056 0.005 . . . . . . B 336 GLU H . 34259 1 682 . 1 1 61 61 GLU HA H 1 5.488 0.009 . . . . . . B 336 GLU HA . 34259 1 683 . 1 1 61 61 GLU HB2 H 1 1.966 0.007 . . . . . . B 336 GLU HB2 . 34259 1 684 . 1 1 61 61 GLU HB3 H 1 1.795 0.003 . . . . . . B 336 GLU HB3 . 34259 1 685 . 1 1 61 61 GLU HG2 H 1 2.141 0.013 . . . . . . B 336 GLU HG2 . 34259 1 686 . 1 1 61 61 GLU HG3 H 1 2.141 0.013 . . . . . . B 336 GLU HG3 . 34259 1 687 . 1 1 61 61 GLU CA C 13 52.889 0.032 . . . . . . B 336 GLU CA . 34259 1 688 . 1 1 61 61 GLU CB C 13 34.032 0.043 . . . . . . B 336 GLU CB . 34259 1 689 . 1 1 61 61 GLU CG C 13 36.432 0.000 . . . . . . B 336 GLU CG . 34259 1 690 . 1 1 61 61 GLU N N 15 115.919 0.028 . . . . . . B 336 GLU N . 34259 1 691 . 1 1 62 62 ALA H H 1 8.798 0.007 . . . . . . B 337 ALA H . 34259 1 692 . 1 1 62 62 ALA HA H 1 5.573 0.011 . . . . . . B 337 ALA HA . 34259 1 693 . 1 1 62 62 ALA HB1 H 1 0.926 0.007 . . . . . . B 337 ALA HB1 . 34259 1 694 . 1 1 62 62 ALA HB2 H 1 0.926 0.007 . . . . . . B 337 ALA HB2 . 34259 1 695 . 1 1 62 62 ALA HB3 H 1 0.926 0.007 . . . . . . B 337 ALA HB3 . 34259 1 696 . 1 1 62 62 ALA CA C 13 50.734 0.039 . . . . . . B 337 ALA CA . 34259 1 697 . 1 1 62 62 ALA CB C 13 23.982 0.029 . . . . . . B 337 ALA CB . 34259 1 698 . 1 1 62 62 ALA N N 15 123.714 0.032 . . . . . . B 337 ALA N . 34259 1 699 . 1 1 63 63 THR H H 1 8.246 0.004 . . . . . . B 338 THR H . 34259 1 700 . 1 1 63 63 THR HA H 1 5.699 0.009 . . . . . . B 338 THR HA . 34259 1 701 . 1 1 63 63 THR HB H 1 4.060 0.005 . . . . . . B 338 THR HB . 34259 1 702 . 1 1 63 63 THR HG21 H 1 1.490 0.004 . . . . . . B 338 THR HG21 . 34259 1 703 . 1 1 63 63 THR HG22 H 1 1.490 0.004 . . . . . . B 338 THR HG22 . 34259 1 704 . 1 1 63 63 THR HG23 H 1 1.490 0.004 . . . . . . B 338 THR HG23 . 34259 1 705 . 1 1 63 63 THR CA C 13 59.429 0.018 . . . . . . B 338 THR CA . 34259 1 706 . 1 1 63 63 THR CB C 13 71.169 0.044 . . . . . . B 338 THR CB . 34259 1 707 . 1 1 63 63 THR CG2 C 13 22.705 0.035 . . . . . . B 338 THR CG2 . 34259 1 708 . 1 1 63 63 THR N N 15 107.970 0.020 . . . . . . B 338 THR N . 34259 1 709 . 1 1 64 64 VAL H H 1 8.013 0.005 . . . . . . B 339 VAL H . 34259 1 710 . 1 1 64 64 VAL HA H 1 4.239 0.006 . . . . . . B 339 VAL HA . 34259 1 711 . 1 1 64 64 VAL HB H 1 1.340 0.007 . . . . . . B 339 VAL HB . 34259 1 712 . 1 1 64 64 VAL HG11 H 1 -0.014 0.006 . . . . . . B 339 VAL HG11 . 34259 1 713 . 1 1 64 64 VAL HG12 H 1 -0.014 0.006 . . . . . . B 339 VAL HG12 . 34259 1 714 . 1 1 64 64 VAL HG13 H 1 -0.014 0.006 . . . . . . B 339 VAL HG13 . 34259 1 715 . 1 1 64 64 VAL HG21 H 1 0.272 0.009 . . . . . . B 339 VAL HG21 . 34259 1 716 . 1 1 64 64 VAL HG22 H 1 0.272 0.009 . . . . . . B 339 VAL HG22 . 34259 1 717 . 1 1 64 64 VAL HG23 H 1 0.272 0.009 . . . . . . B 339 VAL HG23 . 34259 1 718 . 1 1 64 64 VAL CA C 13 61.152 0.004 . . . . . . B 339 VAL CA . 34259 1 719 . 1 1 64 64 VAL CB C 13 34.631 0.005 . . . . . . B 339 VAL CB . 34259 1 720 . 1 1 64 64 VAL CG1 C 13 20.756 0.027 . . . . . . B 339 VAL CG1 . 34259 1 721 . 1 1 64 64 VAL CG2 C 13 19.830 0.032 . . . . . . B 339 VAL CG2 . 34259 1 722 . 1 1 64 64 VAL N N 15 119.823 0.035 . . . . . . B 339 VAL N . 34259 1 723 . 1 1 65 65 SER H H 1 7.703 0.002 . . . . . . B 340 SER H . 34259 1 724 . 1 1 65 65 SER HA H 1 5.218 0.012 . . . . . . B 340 SER HA . 34259 1 725 . 1 1 65 65 SER HB2 H 1 3.650 0.009 . . . . . . B 340 SER HB2 . 34259 1 726 . 1 1 65 65 SER HB3 H 1 3.650 0.009 . . . . . . B 340 SER HB3 . 34259 1 727 . 1 1 65 65 SER CA C 13 57.477 0.006 . . . . . . B 340 SER CA . 34259 1 728 . 1 1 65 65 SER CB C 13 64.276 0.080 . . . . . . B 340 SER CB . 34259 1 729 . 1 1 65 65 SER N N 15 121.695 0.027 . . . . . . B 340 SER N . 34259 1 730 . 1 1 66 66 PHE H H 1 8.999 0.005 . . . . . . B 341 PHE H . 34259 1 731 . 1 1 66 66 PHE HA H 1 4.844 0.012 . . . . . . B 341 PHE HA . 34259 1 732 . 1 1 66 66 PHE HB2 H 1 2.812 0.012 . . . . . . B 341 PHE HB2 . 34259 1 733 . 1 1 66 66 PHE HB3 H 1 3.420 0.005 . . . . . . B 341 PHE HB3 . 34259 1 734 . 1 1 66 66 PHE HD1 H 1 7.034 0.007 . . . . . . B 341 PHE HD1 . 34259 1 735 . 1 1 66 66 PHE HD2 H 1 7.034 0.007 . . . . . . B 341 PHE HD2 . 34259 1 736 . 1 1 66 66 PHE HE1 H 1 6.951 0.005 . . . . . . B 341 PHE HE1 . 34259 1 737 . 1 1 66 66 PHE HE2 H 1 6.951 0.005 . . . . . . B 341 PHE HE2 . 34259 1 738 . 1 1 66 66 PHE HZ H 1 6.811 0.013 . . . . . . B 341 PHE HZ . 34259 1 739 . 1 1 66 66 PHE CA C 13 58.110 0.040 . . . . . . B 341 PHE CA . 34259 1 740 . 1 1 66 66 PHE CB C 13 41.835 0.020 . . . . . . B 341 PHE CB . 34259 1 741 . 1 1 66 66 PHE CD1 C 13 131.465 0.069 . . . . . . B 341 PHE CD1 . 34259 1 742 . 1 1 66 66 PHE CE1 C 13 131.118 0.024 . . . . . . B 341 PHE CE1 . 34259 1 743 . 1 1 66 66 PHE CZ C 13 128.361 0.038 . . . . . . B 341 PHE CZ . 34259 1 744 . 1 1 66 66 PHE N N 15 122.524 0.029 . . . . . . B 341 PHE N . 34259 1 745 . 1 1 67 67 ASP H H 1 8.474 0.005 . . . . . . B 342 ASP H . 34259 1 746 . 1 1 67 67 ASP HA H 1 4.418 0.005 . . . . . . B 342 ASP HA . 34259 1 747 . 1 1 67 67 ASP HB2 H 1 2.579 0.003 . . . . . . B 342 ASP HB2 . 34259 1 748 . 1 1 67 67 ASP HB3 H 1 2.407 0.007 . . . . . . B 342 ASP HB3 . 34259 1 749 . 1 1 67 67 ASP CA C 13 57.196 0.009 . . . . . . B 342 ASP CA . 34259 1 750 . 1 1 67 67 ASP CB C 13 42.039 0.027 . . . . . . B 342 ASP CB . 34259 1 751 . 1 1 67 67 ASP N N 15 119.721 0.010 . . . . . . B 342 ASP N . 34259 1 752 . 1 1 68 68 ASP H H 1 8.264 0.005 . . . . . . B 343 ASP H . 34259 1 753 . 1 1 68 68 ASP HA H 1 5.376 0.005 . . . . . . B 343 ASP HA . 34259 1 754 . 1 1 68 68 ASP HB2 H 1 2.812 0.005 . . . . . . B 343 ASP HB2 . 34259 1 755 . 1 1 68 68 ASP HB3 H 1 2.722 0.004 . . . . . . B 343 ASP HB3 . 34259 1 756 . 1 1 68 68 ASP CA C 13 50.632 0.013 . . . . . . B 343 ASP CA . 34259 1 757 . 1 1 68 68 ASP CB C 13 42.791 0.032 . . . . . . B 343 ASP CB . 34259 1 758 . 1 1 68 68 ASP N N 15 115.912 0.011 . . . . . . B 343 ASP N . 34259 1 759 . 1 1 69 69 PRO HA H 1 4.451 0.009 . . . . . . B 344 PRO HA . 34259 1 760 . 1 1 69 69 PRO HB2 H 1 2.224 0.010 . . . . . . B 344 PRO HB2 . 34259 1 761 . 1 1 69 69 PRO HB3 H 1 2.224 0.010 . . . . . . B 344 PRO HB3 . 34259 1 762 . 1 1 69 69 PRO HG2 H 1 2.369 0.003 . . . . . . B 344 PRO HG2 . 34259 1 763 . 1 1 69 69 PRO HG3 H 1 2.369 0.003 . . . . . . B 344 PRO HG3 . 34259 1 764 . 1 1 69 69 PRO HD2 H 1 4.249 0.009 . . . . . . B 344 PRO HD2 . 34259 1 765 . 1 1 69 69 PRO HD3 H 1 3.894 0.009 . . . . . . B 344 PRO HD3 . 34259 1 766 . 1 1 69 69 PRO CA C 13 66.924 0.026 . . . . . . B 344 PRO CA . 34259 1 767 . 1 1 69 69 PRO CB C 13 29.850 0.043 . . . . . . B 344 PRO CB . 34259 1 768 . 1 1 69 69 PRO CG C 13 28.246 0.028 . . . . . . B 344 PRO CG . 34259 1 769 . 1 1 69 69 PRO CD C 13 51.205 0.045 . . . . . . B 344 PRO CD . 34259 1 770 . 1 1 70 70 PRO HA H 1 4.400 0.004 . . . . . . B 345 PRO HA . 34259 1 771 . 1 1 70 70 PRO HB2 H 1 2.388 0.003 . . . . . . B 345 PRO HB2 . 34259 1 772 . 1 1 70 70 PRO HB3 H 1 1.850 0.007 . . . . . . B 345 PRO HB3 . 34259 1 773 . 1 1 70 70 PRO HG2 H 1 2.122 0.004 . . . . . . B 345 PRO HG2 . 34259 1 774 . 1 1 70 70 PRO HG3 H 1 2.001 0.004 . . . . . . B 345 PRO HG3 . 34259 1 775 . 1 1 70 70 PRO HD2 H 1 3.717 0.002 . . . . . . B 345 PRO HD2 . 34259 1 776 . 1 1 70 70 PRO HD3 H 1 3.502 0.006 . . . . . . B 345 PRO HD3 . 34259 1 777 . 1 1 70 70 PRO CA C 13 66.180 0.005 . . . . . . B 345 PRO CA . 34259 1 778 . 1 1 70 70 PRO CB C 13 30.891 0.031 . . . . . . B 345 PRO CB . 34259 1 779 . 1 1 70 70 PRO CG C 13 28.215 0.024 . . . . . . B 345 PRO CG . 34259 1 780 . 1 1 70 70 PRO CD C 13 50.461 0.031 . . . . . . B 345 PRO CD . 34259 1 781 . 1 1 71 71 SER H H 1 8.006 0.001 . . . . . . B 346 SER H . 34259 1 782 . 1 1 71 71 SER HA H 1 4.018 0.006 . . . . . . B 346 SER HA . 34259 1 783 . 1 1 71 71 SER HB2 H 1 3.890 0.010 . . . . . . B 346 SER HB2 . 34259 1 784 . 1 1 71 71 SER HB3 H 1 3.037 0.009 . . . . . . B 346 SER HB3 . 34259 1 785 . 1 1 71 71 SER CA C 13 61.775 0.032 . . . . . . B 346 SER CA . 34259 1 786 . 1 1 71 71 SER CB C 13 62.575 0.040 . . . . . . B 346 SER CB . 34259 1 787 . 1 1 71 71 SER N N 15 114.534 0.014 . . . . . . B 346 SER N . 34259 1 788 . 1 1 72 72 ALA H H 1 7.370 0.001 . . . . . . B 347 ALA H . 34259 1 789 . 1 1 72 72 ALA HA H 1 3.578 0.008 . . . . . . B 347 ALA HA . 34259 1 790 . 1 1 72 72 ALA HB1 H 1 1.604 0.008 . . . . . . B 347 ALA HB1 . 34259 1 791 . 1 1 72 72 ALA HB2 H 1 1.604 0.008 . . . . . . B 347 ALA HB2 . 34259 1 792 . 1 1 72 72 ALA HB3 H 1 1.604 0.008 . . . . . . B 347 ALA HB3 . 34259 1 793 . 1 1 72 72 ALA CA C 13 54.852 0.027 . . . . . . B 347 ALA CA . 34259 1 794 . 1 1 72 72 ALA CB C 13 17.783 0.048 . . . . . . B 347 ALA CB . 34259 1 795 . 1 1 72 72 ALA N N 15 122.677 0.009 . . . . . . B 347 ALA N . 34259 1 796 . 1 1 73 73 LYS H H 1 7.140 0.001 . . . . . . B 348 LYS H . 34259 1 797 . 1 1 73 73 LYS HA H 1 3.763 0.007 . . . . . . B 348 LYS HA . 34259 1 798 . 1 1 73 73 LYS HB2 H 1 2.151 0.006 . . . . . . B 348 LYS HB2 . 34259 1 799 . 1 1 73 73 LYS HB3 H 1 1.985 0.006 . . . . . . B 348 LYS HB3 . 34259 1 800 . 1 1 73 73 LYS HG2 H 1 1.584 0.006 . . . . . . B 348 LYS HG2 . 34259 1 801 . 1 1 73 73 LYS HG3 H 1 1.584 0.006 . . . . . . B 348 LYS HG3 . 34259 1 802 . 1 1 73 73 LYS HD2 H 1 1.880 0.003 . . . . . . B 348 LYS HD2 . 34259 1 803 . 1 1 73 73 LYS HD3 H 1 1.731 0.003 . . . . . . B 348 LYS HD3 . 34259 1 804 . 1 1 73 73 LYS HE2 H 1 3.125 0.002 . . . . . . B 348 LYS HE2 . 34259 1 805 . 1 1 73 73 LYS HE3 H 1 3.085 0.004 . . . . . . B 348 LYS HE3 . 34259 1 806 . 1 1 73 73 LYS CA C 13 58.832 0.020 . . . . . . B 348 LYS CA . 34259 1 807 . 1 1 73 73 LYS CB C 13 32.294 0.022 . . . . . . B 348 LYS CB . 34259 1 808 . 1 1 73 73 LYS CG C 13 25.006 0.020 . . . . . . B 348 LYS CG . 34259 1 809 . 1 1 73 73 LYS CD C 13 28.526 0.030 . . . . . . B 348 LYS CD . 34259 1 810 . 1 1 73 73 LYS CE C 13 42.199 0.053 . . . . . . B 348 LYS CE . 34259 1 811 . 1 1 73 73 LYS N N 15 116.159 0.042 . . . . . . B 348 LYS N . 34259 1 812 . 1 1 74 74 ALA H H 1 7.878 0.001 . . . . . . B 349 ALA H . 34259 1 813 . 1 1 74 74 ALA HA H 1 4.140 0.004 . . . . . . B 349 ALA HA . 34259 1 814 . 1 1 74 74 ALA HB1 H 1 1.387 0.007 . . . . . . B 349 ALA HB1 . 34259 1 815 . 1 1 74 74 ALA HB2 H 1 1.387 0.007 . . . . . . B 349 ALA HB2 . 34259 1 816 . 1 1 74 74 ALA HB3 H 1 1.387 0.007 . . . . . . B 349 ALA HB3 . 34259 1 817 . 1 1 74 74 ALA CA C 13 54.561 0.011 . . . . . . B 349 ALA CA . 34259 1 818 . 1 1 74 74 ALA CB C 13 17.654 0.012 . . . . . . B 349 ALA CB . 34259 1 819 . 1 1 74 74 ALA N N 15 119.782 0.016 . . . . . . B 349 ALA N . 34259 1 820 . 1 1 75 75 ALA H H 1 8.071 0.003 . . . . . . B 350 ALA H . 34259 1 821 . 1 1 75 75 ALA HA H 1 4.249 0.007 . . . . . . B 350 ALA HA . 34259 1 822 . 1 1 75 75 ALA HB1 H 1 1.643 0.007 . . . . . . B 350 ALA HB1 . 34259 1 823 . 1 1 75 75 ALA HB2 H 1 1.643 0.007 . . . . . . B 350 ALA HB2 . 34259 1 824 . 1 1 75 75 ALA HB3 H 1 1.643 0.007 . . . . . . B 350 ALA HB3 . 34259 1 825 . 1 1 75 75 ALA CA C 13 55.257 0.043 . . . . . . B 350 ALA CA . 34259 1 826 . 1 1 75 75 ALA CB C 13 18.935 0.008 . . . . . . B 350 ALA CB . 34259 1 827 . 1 1 75 75 ALA N N 15 120.388 0.024 . . . . . . B 350 ALA N . 34259 1 828 . 1 1 76 76 ILE H H 1 7.543 0.003 . . . . . . B 351 ILE H . 34259 1 829 . 1 1 76 76 ILE HA H 1 3.401 0.005 . . . . . . B 351 ILE HA . 34259 1 830 . 1 1 76 76 ILE HB H 1 1.705 0.009 . . . . . . B 351 ILE HB . 34259 1 831 . 1 1 76 76 ILE HG12 H 1 0.344 0.007 . . . . . . B 351 ILE HG12 . 34259 1 832 . 1 1 76 76 ILE HG13 H 1 1.427 0.006 . . . . . . B 351 ILE HG13 . 34259 1 833 . 1 1 76 76 ILE HG21 H 1 0.847 0.008 . . . . . . B 351 ILE HG21 . 34259 1 834 . 1 1 76 76 ILE HG22 H 1 0.847 0.008 . . . . . . B 351 ILE HG22 . 34259 1 835 . 1 1 76 76 ILE HG23 H 1 0.847 0.008 . . . . . . B 351 ILE HG23 . 34259 1 836 . 1 1 76 76 ILE HD11 H 1 -0.213 0.007 . . . . . . B 351 ILE HD11 . 34259 1 837 . 1 1 76 76 ILE HD12 H 1 -0.213 0.007 . . . . . . B 351 ILE HD12 . 34259 1 838 . 1 1 76 76 ILE HD13 H 1 -0.213 0.007 . . . . . . B 351 ILE HD13 . 34259 1 839 . 1 1 76 76 ILE CA C 13 65.693 0.031 . . . . . . B 351 ILE CA . 34259 1 840 . 1 1 76 76 ILE CB C 13 38.597 0.024 . . . . . . B 351 ILE CB . 34259 1 841 . 1 1 76 76 ILE CG1 C 13 29.268 0.048 . . . . . . B 351 ILE CG1 . 34259 1 842 . 1 1 76 76 ILE CG2 C 13 16.910 0.023 . . . . . . B 351 ILE CG2 . 34259 1 843 . 1 1 76 76 ILE CD1 C 13 13.216 0.039 . . . . . . B 351 ILE CD1 . 34259 1 844 . 1 1 76 76 ILE N N 15 119.710 0.021 . . . . . . B 351 ILE N . 34259 1 845 . 1 1 77 77 ASP H H 1 7.891 0.001 . . . . . . B 352 ASP H . 34259 1 846 . 1 1 77 77 ASP HA H 1 4.294 0.000 . . . . . . B 352 ASP HA . 34259 1 847 . 1 1 77 77 ASP HB2 H 1 2.705 0.007 . . . . . . B 352 ASP HB2 . 34259 1 848 . 1 1 77 77 ASP HB3 H 1 2.619 0.010 . . . . . . B 352 ASP HB3 . 34259 1 849 . 1 1 77 77 ASP N N 15 117.809 0.021 . . . . . . B 352 ASP N . 34259 1 850 . 1 1 78 78 TRP H H 1 8.473 0.001 . . . . . . B 353 TRP H . 34259 1 851 . 1 1 78 78 TRP HA H 1 4.351 0.006 . . . . . . B 353 TRP HA . 34259 1 852 . 1 1 78 78 TRP HB2 H 1 3.060 0.008 . . . . . . B 353 TRP HB2 . 34259 1 853 . 1 1 78 78 TRP HB3 H 1 2.507 0.007 . . . . . . B 353 TRP HB3 . 34259 1 854 . 1 1 78 78 TRP HD1 H 1 5.341 0.017 . . . . . . B 353 TRP HD1 . 34259 1 855 . 1 1 78 78 TRP HE1 H 1 9.741 0.002 . . . . . . B 353 TRP HE1 . 34259 1 856 . 1 1 78 78 TRP HE3 H 1 7.373 0.005 . . . . . . B 353 TRP HE3 . 34259 1 857 . 1 1 78 78 TRP HZ2 H 1 7.332 0.004 . . . . . . B 353 TRP HZ2 . 34259 1 858 . 1 1 78 78 TRP HZ3 H 1 7.027 0.003 . . . . . . B 353 TRP HZ3 . 34259 1 859 . 1 1 78 78 TRP HH2 H 1 7.130 0.005 . . . . . . B 353 TRP HH2 . 34259 1 860 . 1 1 78 78 TRP CA C 13 59.297 0.030 . . . . . . B 353 TRP CA . 34259 1 861 . 1 1 78 78 TRP CB C 13 30.662 0.039 . . . . . . B 353 TRP CB . 34259 1 862 . 1 1 78 78 TRP CD1 C 13 126.799 0.028 . . . . . . B 353 TRP CD1 . 34259 1 863 . 1 1 78 78 TRP CE3 C 13 120.825 0.042 . . . . . . B 353 TRP CE3 . 34259 1 864 . 1 1 78 78 TRP CZ2 C 13 114.267 0.027 . . . . . . B 353 TRP CZ2 . 34259 1 865 . 1 1 78 78 TRP CZ3 C 13 121.695 0.000 . . . . . . B 353 TRP CZ3 . 34259 1 866 . 1 1 78 78 TRP CH2 C 13 124.403 0.030 . . . . . . B 353 TRP CH2 . 34259 1 867 . 1 1 78 78 TRP N N 15 117.228 0.008 . . . . . . B 353 TRP N . 34259 1 868 . 1 1 78 78 TRP NE1 N 15 127.883 0.010 . . . . . . B 353 TRP NE1 . 34259 1 869 . 1 1 79 79 PHE H H 1 8.454 0.001 . . . . . . B 354 PHE H . 34259 1 870 . 1 1 79 79 PHE HA H 1 4.654 0.005 . . . . . . B 354 PHE HA . 34259 1 871 . 1 1 79 79 PHE HB2 H 1 3.426 0.006 . . . . . . B 354 PHE HB2 . 34259 1 872 . 1 1 79 79 PHE HB3 H 1 3.479 0.011 . . . . . . B 354 PHE HB3 . 34259 1 873 . 1 1 79 79 PHE HD1 H 1 7.535 0.005 . . . . . . B 354 PHE HD1 . 34259 1 874 . 1 1 79 79 PHE HD2 H 1 7.535 0.005 . . . . . . B 354 PHE HD2 . 34259 1 875 . 1 1 79 79 PHE HE1 H 1 6.959 0.008 . . . . . . B 354 PHE HE1 . 34259 1 876 . 1 1 79 79 PHE HE2 H 1 6.959 0.008 . . . . . . B 354 PHE HE2 . 34259 1 877 . 1 1 79 79 PHE HZ H 1 6.926 0.000 . . . . . . B 354 PHE HZ . 34259 1 878 . 1 1 79 79 PHE CA C 13 59.693 0.032 . . . . . . B 354 PHE CA . 34259 1 879 . 1 1 79 79 PHE CB C 13 40.591 0.041 . . . . . . B 354 PHE CB . 34259 1 880 . 1 1 79 79 PHE CD1 C 13 132.067 0.037 . . . . . . B 354 PHE CD1 . 34259 1 881 . 1 1 79 79 PHE CE1 C 13 131.230 0.022 . . . . . . B 354 PHE CE1 . 34259 1 882 . 1 1 79 79 PHE CZ C 13 129.668 0.000 . . . . . . B 354 PHE CZ . 34259 1 883 . 1 1 79 79 PHE N N 15 112.071 0.021 . . . . . . B 354 PHE N . 34259 1 884 . 1 1 80 80 ASP H H 1 7.948 0.002 . . . . . . B 355 ASP H . 34259 1 885 . 1 1 80 80 ASP HA H 1 4.452 0.005 . . . . . . B 355 ASP HA . 34259 1 886 . 1 1 80 80 ASP HB2 H 1 3.178 0.006 . . . . . . B 355 ASP HB2 . 34259 1 887 . 1 1 80 80 ASP HB3 H 1 2.756 0.003 . . . . . . B 355 ASP HB3 . 34259 1 888 . 1 1 80 80 ASP CA C 13 58.407 0.019 . . . . . . B 355 ASP CA . 34259 1 889 . 1 1 80 80 ASP CB C 13 41.775 0.030 . . . . . . B 355 ASP CB . 34259 1 890 . 1 1 80 80 ASP N N 15 118.394 0.015 . . . . . . B 355 ASP N . 34259 1 891 . 1 1 81 81 GLY H H 1 8.592 0.002 . . . . . . B 356 GLY H . 34259 1 892 . 1 1 81 81 GLY HA2 H 1 4.244 0.001 . . . . . . B 356 GLY HA2 . 34259 1 893 . 1 1 81 81 GLY HA3 H 1 3.869 0.002 . . . . . . B 356 GLY HA3 . 34259 1 894 . 1 1 81 81 GLY CA C 13 45.892 0.000 . . . . . . B 356 GLY CA . 34259 1 895 . 1 1 81 81 GLY N N 15 115.509 0.018 . . . . . . B 356 GLY N . 34259 1 896 . 1 1 82 82 LYS H H 1 7.980 0.001 . . . . . . B 357 LYS H . 34259 1 897 . 1 1 82 82 LYS HA H 1 4.456 0.005 . . . . . . B 357 LYS HA . 34259 1 898 . 1 1 82 82 LYS HB2 H 1 2.282 0.007 . . . . . . B 357 LYS HB2 . 34259 1 899 . 1 1 82 82 LYS HB3 H 1 2.059 0.004 . . . . . . B 357 LYS HB3 . 34259 1 900 . 1 1 82 82 LYS HG2 H 1 1.506 0.006 . . . . . . B 357 LYS HG2 . 34259 1 901 . 1 1 82 82 LYS HG3 H 1 1.247 0.004 . . . . . . B 357 LYS HG3 . 34259 1 902 . 1 1 82 82 LYS HD2 H 1 1.541 0.004 . . . . . . B 357 LYS HD2 . 34259 1 903 . 1 1 82 82 LYS HD3 H 1 1.424 0.003 . . . . . . B 357 LYS HD3 . 34259 1 904 . 1 1 82 82 LYS HE2 H 1 2.666 0.006 . . . . . . B 357 LYS HE2 . 34259 1 905 . 1 1 82 82 LYS HE3 H 1 2.449 0.011 . . . . . . B 357 LYS HE3 . 34259 1 906 . 1 1 82 82 LYS CA C 13 54.929 0.031 . . . . . . B 357 LYS CA . 34259 1 907 . 1 1 82 82 LYS CB C 13 32.262 0.016 . . . . . . B 357 LYS CB . 34259 1 908 . 1 1 82 82 LYS CG C 13 26.325 0.036 . . . . . . B 357 LYS CG . 34259 1 909 . 1 1 82 82 LYS CD C 13 27.828 0.020 . . . . . . B 357 LYS CD . 34259 1 910 . 1 1 82 82 LYS CE C 13 42.140 0.039 . . . . . . B 357 LYS CE . 34259 1 911 . 1 1 82 82 LYS N N 15 120.132 0.024 . . . . . . B 357 LYS N . 34259 1 912 . 1 1 83 83 GLU H H 1 8.125 0.001 . . . . . . B 358 GLU H . 34259 1 913 . 1 1 83 83 GLU HA H 1 4.694 0.008 . . . . . . B 358 GLU HA . 34259 1 914 . 1 1 83 83 GLU HB2 H 1 1.865 0.007 . . . . . . B 358 GLU HB2 . 34259 1 915 . 1 1 83 83 GLU HB3 H 1 1.549 0.007 . . . . . . B 358 GLU HB3 . 34259 1 916 . 1 1 83 83 GLU HG2 H 1 2.179 0.003 . . . . . . B 358 GLU HG2 . 34259 1 917 . 1 1 83 83 GLU HG3 H 1 1.799 0.003 . . . . . . B 358 GLU HG3 . 34259 1 918 . 1 1 83 83 GLU CA C 13 55.691 0.004 . . . . . . B 358 GLU CA . 34259 1 919 . 1 1 83 83 GLU CB C 13 32.018 0.054 . . . . . . B 358 GLU CB . 34259 1 920 . 1 1 83 83 GLU CG C 13 36.295 0.015 . . . . . . B 358 GLU CG . 34259 1 921 . 1 1 83 83 GLU N N 15 115.687 0.010 . . . . . . B 358 GLU N . 34259 1 922 . 1 1 84 84 PHE H H 1 9.120 0.001 . . . . . . B 359 PHE H . 34259 1 923 . 1 1 84 84 PHE HA H 1 4.456 0.004 . . . . . . B 359 PHE HA . 34259 1 924 . 1 1 84 84 PHE HB2 H 1 2.856 0.005 . . . . . . B 359 PHE HB2 . 34259 1 925 . 1 1 84 84 PHE HB3 H 1 2.167 0.005 . . . . . . B 359 PHE HB3 . 34259 1 926 . 1 1 84 84 PHE HD1 H 1 6.201 0.004 . . . . . . B 359 PHE HD1 . 34259 1 927 . 1 1 84 84 PHE HD2 H 1 6.201 0.004 . . . . . . B 359 PHE HD2 . 34259 1 928 . 1 1 84 84 PHE HE1 H 1 6.925 0.006 . . . . . . B 359 PHE HE1 . 34259 1 929 . 1 1 84 84 PHE HE2 H 1 6.925 0.006 . . . . . . B 359 PHE HE2 . 34259 1 930 . 1 1 84 84 PHE HZ H 1 6.956 0.006 . . . . . . B 359 PHE HZ . 34259 1 931 . 1 1 84 84 PHE CA C 13 56.584 0.007 . . . . . . B 359 PHE CA . 34259 1 932 . 1 1 84 84 PHE CB C 13 41.859 0.023 . . . . . . B 359 PHE CB . 34259 1 933 . 1 1 84 84 PHE CD1 C 13 132.107 0.021 . . . . . . B 359 PHE CD1 . 34259 1 934 . 1 1 84 84 PHE CE1 C 13 130.878 0.044 . . . . . . B 359 PHE CE1 . 34259 1 935 . 1 1 84 84 PHE CZ C 13 129.010 0.084 . . . . . . B 359 PHE CZ . 34259 1 936 . 1 1 84 84 PHE N N 15 126.960 0.008 . . . . . . B 359 PHE N . 34259 1 937 . 1 1 85 85 SER H H 1 9.098 0.004 . . . . . . B 360 SER H . 34259 1 938 . 1 1 85 85 SER HA H 1 3.769 0.003 . . . . . . B 360 SER HA . 34259 1 939 . 1 1 85 85 SER HB2 H 1 3.968 0.005 . . . . . . B 360 SER HB2 . 34259 1 940 . 1 1 85 85 SER HB3 H 1 3.406 0.004 . . . . . . B 360 SER HB3 . 34259 1 941 . 1 1 85 85 SER CA C 13 58.102 0.002 . . . . . . B 360 SER CA . 34259 1 942 . 1 1 85 85 SER CB C 13 62.314 0.006 . . . . . . B 360 SER CB . 34259 1 943 . 1 1 85 85 SER N N 15 124.830 0.043 . . . . . . B 360 SER N . 34259 1 944 . 1 1 86 86 GLY H H 1 8.373 0.001 . . . . . . B 361 GLY H . 34259 1 945 . 1 1 86 86 GLY HA2 H 1 3.582 0.007 . . . . . . B 361 GLY HA2 . 34259 1 946 . 1 1 86 86 GLY HA3 H 1 4.151 0.003 . . . . . . B 361 GLY HA3 . 34259 1 947 . 1 1 86 86 GLY CA C 13 44.822 0.041 . . . . . . B 361 GLY CA . 34259 1 948 . 1 1 86 86 GLY N N 15 103.508 0.016 . . . . . . B 361 GLY N . 34259 1 949 . 1 1 87 87 ASN H H 1 7.732 0.001 . . . . . . B 362 ASN H . 34259 1 950 . 1 1 87 87 ASN HA H 1 5.311 0.005 . . . . . . B 362 ASN HA . 34259 1 951 . 1 1 87 87 ASN HB2 H 1 2.896 0.008 . . . . . . B 362 ASN HB2 . 34259 1 952 . 1 1 87 87 ASN HB3 H 1 2.896 0.008 . . . . . . B 362 ASN HB3 . 34259 1 953 . 1 1 87 87 ASN HD21 H 1 7.307 0.001 . . . . . . B 362 ASN HD21 . 34259 1 954 . 1 1 87 87 ASN HD22 H 1 6.963 0.002 . . . . . . B 362 ASN HD22 . 34259 1 955 . 1 1 87 87 ASN CA C 13 50.297 0.020 . . . . . . B 362 ASN CA . 34259 1 956 . 1 1 87 87 ASN CB C 13 40.921 0.043 . . . . . . B 362 ASN CB . 34259 1 957 . 1 1 87 87 ASN N N 15 119.033 0.023 . . . . . . B 362 ASN N . 34259 1 958 . 1 1 87 87 ASN ND2 N 15 114.555 0.034 . . . . . . B 362 ASN ND2 . 34259 1 959 . 1 1 88 88 PRO HA H 1 4.656 0.007 . . . . . . B 363 PRO HA . 34259 1 960 . 1 1 88 88 PRO HB2 H 1 2.159 0.002 . . . . . . B 363 PRO HB2 . 34259 1 961 . 1 1 88 88 PRO HB3 H 1 1.859 0.003 . . . . . . B 363 PRO HB3 . 34259 1 962 . 1 1 88 88 PRO HG2 H 1 2.008 0.002 . . . . . . B 363 PRO HG2 . 34259 1 963 . 1 1 88 88 PRO HG3 H 1 2.168 0.000 . . . . . . B 363 PRO HG3 . 34259 1 964 . 1 1 88 88 PRO HD2 H 1 3.919 0.005 . . . . . . B 363 PRO HD2 . 34259 1 965 . 1 1 88 88 PRO HD3 H 1 3.780 0.003 . . . . . . B 363 PRO HD3 . 34259 1 966 . 1 1 88 88 PRO CA C 13 62.623 0.020 . . . . . . B 363 PRO CA . 34259 1 967 . 1 1 88 88 PRO CB C 13 31.772 0.033 . . . . . . B 363 PRO CB . 34259 1 968 . 1 1 88 88 PRO CG C 13 27.627 0.031 . . . . . . B 363 PRO CG . 34259 1 969 . 1 1 88 88 PRO CD C 13 50.764 0.052 . . . . . . B 363 PRO CD . 34259 1 970 . 1 1 89 89 ILE H H 1 8.408 0.004 . . . . . . B 364 ILE H . 34259 1 971 . 1 1 89 89 ILE HA H 1 5.126 0.008 . . . . . . B 364 ILE HA . 34259 1 972 . 1 1 89 89 ILE HB H 1 1.794 0.005 . . . . . . B 364 ILE HB . 34259 1 973 . 1 1 89 89 ILE HG12 H 1 1.349 0.007 . . . . . . B 364 ILE HG12 . 34259 1 974 . 1 1 89 89 ILE HG13 H 1 1.516 0.009 . . . . . . B 364 ILE HG13 . 34259 1 975 . 1 1 89 89 ILE HG21 H 1 0.720 0.005 . . . . . . B 364 ILE HG21 . 34259 1 976 . 1 1 89 89 ILE HG22 H 1 0.720 0.005 . . . . . . B 364 ILE HG22 . 34259 1 977 . 1 1 89 89 ILE HG23 H 1 0.720 0.005 . . . . . . B 364 ILE HG23 . 34259 1 978 . 1 1 89 89 ILE HD11 H 1 0.777 0.008 . . . . . . B 364 ILE HD11 . 34259 1 979 . 1 1 89 89 ILE HD12 H 1 0.777 0.008 . . . . . . B 364 ILE HD12 . 34259 1 980 . 1 1 89 89 ILE HD13 H 1 0.777 0.008 . . . . . . B 364 ILE HD13 . 34259 1 981 . 1 1 89 89 ILE CA C 13 59.298 0.036 . . . . . . B 364 ILE CA . 34259 1 982 . 1 1 89 89 ILE CB C 13 41.544 0.035 . . . . . . B 364 ILE CB . 34259 1 983 . 1 1 89 89 ILE CG1 C 13 24.818 0.000 . . . . . . B 364 ILE CG1 . 34259 1 984 . 1 1 89 89 ILE CG2 C 13 18.650 0.020 . . . . . . B 364 ILE CG2 . 34259 1 985 . 1 1 89 89 ILE CD1 C 13 15.032 0.020 . . . . . . B 364 ILE CD1 . 34259 1 986 . 1 1 89 89 ILE N N 15 117.187 0.015 . . . . . . B 364 ILE N . 34259 1 987 . 1 1 90 90 LYS H H 1 8.340 0.005 . . . . . . B 365 LYS H . 34259 1 988 . 1 1 90 90 LYS HA H 1 5.182 0.009 . . . . . . B 365 LYS HA . 34259 1 989 . 1 1 90 90 LYS HB2 H 1 1.826 0.005 . . . . . . B 365 LYS HB2 . 34259 1 990 . 1 1 90 90 LYS HB3 H 1 1.554 0.008 . . . . . . B 365 LYS HB3 . 34259 1 991 . 1 1 90 90 LYS HG2 H 1 1.524 0.000 . . . . . . B 365 LYS HG2 . 34259 1 992 . 1 1 90 90 LYS HG3 H 1 1.473 0.000 . . . . . . B 365 LYS HG3 . 34259 1 993 . 1 1 90 90 LYS HD2 H 1 1.706 0.008 . . . . . . B 365 LYS HD2 . 34259 1 994 . 1 1 90 90 LYS HD3 H 1 1.706 0.008 . . . . . . B 365 LYS HD3 . 34259 1 995 . 1 1 90 90 LYS HE2 H 1 2.983 0.008 . . . . . . B 365 LYS HE2 . 34259 1 996 . 1 1 90 90 LYS HE3 H 1 2.983 0.008 . . . . . . B 365 LYS HE3 . 34259 1 997 . 1 1 90 90 LYS CA C 13 53.996 0.061 . . . . . . B 365 LYS CA . 34259 1 998 . 1 1 90 90 LYS CB C 13 34.999 0.024 . . . . . . B 365 LYS CB . 34259 1 999 . 1 1 90 90 LYS CG C 13 24.337 0.003 . . . . . . B 365 LYS CG . 34259 1 1000 . 1 1 90 90 LYS CD C 13 28.680 0.012 . . . . . . B 365 LYS CD . 34259 1 1001 . 1 1 90 90 LYS CE C 13 41.745 0.000 . . . . . . B 365 LYS CE . 34259 1 1002 . 1 1 90 90 LYS N N 15 122.273 0.023 . . . . . . B 365 LYS N . 34259 1 1003 . 1 1 91 91 VAL H H 1 9.337 0.002 . . . . . . B 366 VAL H . 34259 1 1004 . 1 1 91 91 VAL HA H 1 4.940 0.006 . . . . . . B 366 VAL HA . 34259 1 1005 . 1 1 91 91 VAL HB H 1 1.934 0.009 . . . . . . B 366 VAL HB . 34259 1 1006 . 1 1 91 91 VAL HG11 H 1 0.960 0.006 . . . . . . B 366 VAL HG11 . 34259 1 1007 . 1 1 91 91 VAL HG12 H 1 0.960 0.006 . . . . . . B 366 VAL HG12 . 34259 1 1008 . 1 1 91 91 VAL HG13 H 1 0.960 0.006 . . . . . . B 366 VAL HG13 . 34259 1 1009 . 1 1 91 91 VAL HG21 H 1 1.086 0.010 . . . . . . B 366 VAL HG21 . 34259 1 1010 . 1 1 91 91 VAL HG22 H 1 1.086 0.010 . . . . . . B 366 VAL HG22 . 34259 1 1011 . 1 1 91 91 VAL HG23 H 1 1.086 0.010 . . . . . . B 366 VAL HG23 . 34259 1 1012 . 1 1 91 91 VAL CA C 13 61.093 0.058 . . . . . . B 366 VAL CA . 34259 1 1013 . 1 1 91 91 VAL CB C 13 34.680 0.024 . . . . . . B 366 VAL CB . 34259 1 1014 . 1 1 91 91 VAL CG1 C 13 24.259 0.036 . . . . . . B 366 VAL CG1 . 34259 1 1015 . 1 1 91 91 VAL CG2 C 13 22.239 0.020 . . . . . . B 366 VAL CG2 . 34259 1 1016 . 1 1 91 91 VAL N N 15 125.548 0.016 . . . . . . B 366 VAL N . 34259 1 1017 . 1 1 92 92 SER H H 1 8.902 0.001 . . . . . . B 367 SER H . 34259 1 1018 . 1 1 92 92 SER HA H 1 4.709 0.005 . . . . . . B 367 SER HA . 34259 1 1019 . 1 1 92 92 SER HB2 H 1 4.059 0.008 . . . . . . B 367 SER HB2 . 34259 1 1020 . 1 1 92 92 SER HB3 H 1 3.979 0.000 . . . . . . B 367 SER HB3 . 34259 1 1021 . 1 1 92 92 SER CA C 13 56.578 0.006 . . . . . . B 367 SER CA . 34259 1 1022 . 1 1 92 92 SER CB C 13 66.250 0.049 . . . . . . B 367 SER CB . 34259 1 1023 . 1 1 92 92 SER N N 15 119.515 0.017 . . . . . . B 367 SER N . 34259 1 1024 . 1 1 93 93 PHE H H 1 8.827 0.002 . . . . . . B 368 PHE H . 34259 1 1025 . 1 1 93 93 PHE HA H 1 4.682 0.008 . . . . . . B 368 PHE HA . 34259 1 1026 . 1 1 93 93 PHE HB2 H 1 2.829 0.009 . . . . . . B 368 PHE HB2 . 34259 1 1027 . 1 1 93 93 PHE HB3 H 1 3.103 0.006 . . . . . . B 368 PHE HB3 . 34259 1 1028 . 1 1 93 93 PHE HD1 H 1 7.310 0.005 . . . . . . B 368 PHE HD1 . 34259 1 1029 . 1 1 93 93 PHE HD2 H 1 7.310 0.005 . . . . . . B 368 PHE HD2 . 34259 1 1030 . 1 1 93 93 PHE HE1 H 1 7.371 0.008 . . . . . . B 368 PHE HE1 . 34259 1 1031 . 1 1 93 93 PHE HE2 H 1 7.371 0.008 . . . . . . B 368 PHE HE2 . 34259 1 1032 . 1 1 93 93 PHE HZ H 1 7.165 0.004 . . . . . . B 368 PHE HZ . 34259 1 1033 . 1 1 93 93 PHE CA C 13 60.952 0.020 . . . . . . B 368 PHE CA . 34259 1 1034 . 1 1 93 93 PHE CB C 13 39.349 0.052 . . . . . . B 368 PHE CB . 34259 1 1035 . 1 1 93 93 PHE CD1 C 13 131.853 0.049 . . . . . . B 368 PHE CD1 . 34259 1 1036 . 1 1 93 93 PHE CE1 C 13 131.983 0.041 . . . . . . B 368 PHE CE1 . 34259 1 1037 . 1 1 93 93 PHE CZ C 13 129.575 0.024 . . . . . . B 368 PHE CZ . 34259 1 1038 . 1 1 93 93 PHE N N 15 120.126 0.012 . . . . . . B 368 PHE N . 34259 1 1039 . 1 1 94 94 ALA H H 1 8.603 0.004 . . . . . . B 369 ALA H . 34259 1 1040 . 1 1 94 94 ALA HA H 1 4.583 0.004 . . . . . . B 369 ALA HA . 34259 1 1041 . 1 1 94 94 ALA HB1 H 1 1.254 0.006 . . . . . . B 369 ALA HB1 . 34259 1 1042 . 1 1 94 94 ALA HB2 H 1 1.254 0.006 . . . . . . B 369 ALA HB2 . 34259 1 1043 . 1 1 94 94 ALA HB3 H 1 1.254 0.006 . . . . . . B 369 ALA HB3 . 34259 1 1044 . 1 1 94 94 ALA CA C 13 51.723 0.065 . . . . . . B 369 ALA CA . 34259 1 1045 . 1 1 94 94 ALA CB C 13 19.508 0.021 . . . . . . B 369 ALA CB . 34259 1 1046 . 1 1 94 94 ALA N N 15 124.695 0.012 . . . . . . B 369 ALA N . 34259 1 1047 . 1 1 95 95 THR H H 1 8.284 0.006 . . . . . . B 370 THR H . 34259 1 1048 . 1 1 95 95 THR HA H 1 4.256 0.006 . . . . . . B 370 THR HA . 34259 1 1049 . 1 1 95 95 THR HB H 1 3.993 0.003 . . . . . . B 370 THR HB . 34259 1 1050 . 1 1 95 95 THR HG21 H 1 1.067 0.011 . . . . . . B 370 THR HG21 . 34259 1 1051 . 1 1 95 95 THR HG22 H 1 1.067 0.011 . . . . . . B 370 THR HG22 . 34259 1 1052 . 1 1 95 95 THR HG23 H 1 1.067 0.011 . . . . . . B 370 THR HG23 . 34259 1 1053 . 1 1 95 95 THR CA C 13 61.380 0.010 . . . . . . B 370 THR CA . 34259 1 1054 . 1 1 95 95 THR CB C 13 69.857 0.007 . . . . . . B 370 THR CB . 34259 1 1055 . 1 1 95 95 THR CG2 C 13 21.509 0.012 . . . . . . B 370 THR CG2 . 34259 1 1056 . 1 1 95 95 THR N N 15 115.549 0.022 . . . . . . B 370 THR N . 34259 1 1057 . 1 1 96 96 ARG H H 1 8.400 0.004 . . . . . . B 371 ARG H . 34259 1 1058 . 1 1 96 96 ARG HA H 1 4.429 0.009 . . . . . . B 371 ARG HA . 34259 1 1059 . 1 1 96 96 ARG HB2 H 1 1.781 0.007 . . . . . . B 371 ARG HB2 . 34259 1 1060 . 1 1 96 96 ARG HB3 H 1 1.644 0.007 . . . . . . B 371 ARG HB3 . 34259 1 1061 . 1 1 96 96 ARG HG2 H 1 1.523 0.000 . . . . . . B 371 ARG HG2 . 34259 1 1062 . 1 1 96 96 ARG HG3 H 1 1.523 0.000 . . . . . . B 371 ARG HG3 . 34259 1 1063 . 1 1 96 96 ARG HD2 H 1 3.040 0.005 . . . . . . B 371 ARG HD2 . 34259 1 1064 . 1 1 96 96 ARG HD3 H 1 3.040 0.005 . . . . . . B 371 ARG HD3 . 34259 1 1065 . 1 1 96 96 ARG HE H 1 7.216 0.000 . . . . . . B 371 ARG HE . 34259 1 1066 . 1 1 96 96 ARG CA C 13 55.200 0.020 . . . . . . B 371 ARG CA . 34259 1 1067 . 1 1 96 96 ARG CB C 13 31.059 0.016 . . . . . . B 371 ARG CB . 34259 1 1068 . 1 1 96 96 ARG CD C 13 43.139 0.025 . . . . . . B 371 ARG CD . 34259 1 1069 . 1 1 96 96 ARG N N 15 123.725 0.014 . . . . . . B 371 ARG N . 34259 1 1070 . 1 1 96 96 ARG NE N 15 84.725 0.000 . . . . . . B 371 ARG NE . 34259 1 1071 . 1 1 97 97 ARG H H 1 8.626 0.009 . . . . . . B 372 ARG H . 34259 1 1072 . 1 1 97 97 ARG HA H 1 4.065 0.004 . . . . . . B 372 ARG HA . 34259 1 1073 . 1 1 97 97 ARG HB2 H 1 1.751 0.007 . . . . . . B 372 ARG HB2 . 34259 1 1074 . 1 1 97 97 ARG HB3 H 1 1.708 0.008 . . . . . . B 372 ARG HB3 . 34259 1 1075 . 1 1 97 97 ARG HG2 H 1 1.537 0.006 . . . . . . B 372 ARG HG2 . 34259 1 1076 . 1 1 97 97 ARG HG3 H 1 1.537 0.006 . . . . . . B 372 ARG HG3 . 34259 1 1077 . 1 1 97 97 ARG HD2 H 1 3.070 0.003 . . . . . . B 372 ARG HD2 . 34259 1 1078 . 1 1 97 97 ARG HD3 H 1 3.070 0.003 . . . . . . B 372 ARG HD3 . 34259 1 1079 . 1 1 97 97 ARG HE H 1 7.282 0.002 . . . . . . B 372 ARG HE . 34259 1 1080 . 1 1 97 97 ARG CA C 13 56.972 0.000 . . . . . . B 372 ARG CA . 34259 1 1081 . 1 1 97 97 ARG CB C 13 30.419 0.031 . . . . . . B 372 ARG CB . 34259 1 1082 . 1 1 97 97 ARG CG C 13 26.992 0.000 . . . . . . B 372 ARG CG . 34259 1 1083 . 1 1 97 97 ARG CD C 13 43.104 0.005 . . . . . . B 372 ARG CD . 34259 1 1084 . 1 1 97 97 ARG N N 15 123.621 0.023 . . . . . . B 372 ARG N . 34259 1 1085 . 1 1 97 97 ARG NE N 15 84.615 0.008 . . . . . . B 372 ARG NE . 34259 1 1086 . 1 1 98 98 ALA H H 1 8.315 0.005 . . . . . . B 373 ALA H . 34259 1 1087 . 1 1 98 98 ALA HA H 1 4.166 0.006 . . . . . . B 373 ALA HA . 34259 1 1088 . 1 1 98 98 ALA HB1 H 1 1.252 0.005 . . . . . . B 373 ALA HB1 . 34259 1 1089 . 1 1 98 98 ALA HB2 H 1 1.252 0.005 . . . . . . B 373 ALA HB2 . 34259 1 1090 . 1 1 98 98 ALA HB3 H 1 1.252 0.005 . . . . . . B 373 ALA HB3 . 34259 1 1091 . 1 1 98 98 ALA CA C 13 52.745 0.000 . . . . . . B 373 ALA CA . 34259 1 1092 . 1 1 98 98 ALA CB C 13 19.101 0.081 . . . . . . B 373 ALA CB . 34259 1 1093 . 1 1 98 98 ALA N N 15 123.613 0.006 . . . . . . B 373 ALA N . 34259 1 1094 . 1 1 99 99 ASP H H 1 8.024 0.002 . . . . . . B 374 ASP H . 34259 1 1095 . 1 1 99 99 ASP HA H 1 4.458 0.005 . . . . . . B 374 ASP HA . 34259 1 1096 . 1 1 99 99 ASP HB2 H 1 2.522 0.009 . . . . . . B 374 ASP HB2 . 34259 1 1097 . 1 1 99 99 ASP HB3 H 1 2.522 0.009 . . . . . . B 374 ASP HB3 . 34259 1 1098 . 1 1 99 99 ASP CA C 13 54.221 0.008 . . . . . . B 374 ASP CA . 34259 1 1099 . 1 1 99 99 ASP CB C 13 40.920 0.121 . . . . . . B 374 ASP CB . 34259 1 1100 . 1 1 99 99 ASP N N 15 117.924 0.019 . . . . . . B 374 ASP N . 34259 1 1101 . 1 1 100 100 PHE H H 1 7.816 0.002 . . . . . . B 375 PHE H . 34259 1 1102 . 1 1 100 100 PHE HA H 1 4.504 0.003 . . . . . . B 375 PHE HA . 34259 1 1103 . 1 1 100 100 PHE HB2 H 1 3.091 0.004 . . . . . . B 375 PHE HB2 . 34259 1 1104 . 1 1 100 100 PHE HB3 H 1 2.933 0.003 . . . . . . B 375 PHE HB3 . 34259 1 1105 . 1 1 100 100 PHE HD1 H 1 7.119 0.006 . . . . . . B 375 PHE HD1 . 34259 1 1106 . 1 1 100 100 PHE HD2 H 1 7.119 0.006 . . . . . . B 375 PHE HD2 . 34259 1 1107 . 1 1 100 100 PHE HE1 H 1 7.178 0.000 . . . . . . B 375 PHE HE1 . 34259 1 1108 . 1 1 100 100 PHE HE2 H 1 7.178 0.000 . . . . . . B 375 PHE HE2 . 34259 1 1109 . 1 1 100 100 PHE HZ H 1 7.135 0.000 . . . . . . B 375 PHE HZ . 34259 1 1110 . 1 1 100 100 PHE CA C 13 57.643 0.006 . . . . . . B 375 PHE CA . 34259 1 1111 . 1 1 100 100 PHE CB C 13 39.219 0.008 . . . . . . B 375 PHE CB . 34259 1 1112 . 1 1 100 100 PHE CD1 C 13 131.700 0.014 . . . . . . B 375 PHE CD1 . 34259 1 1113 . 1 1 100 100 PHE CE1 C 13 131.609 0.000 . . . . . . B 375 PHE CE1 . 34259 1 1114 . 1 1 100 100 PHE CZ C 13 129.650 0.000 . . . . . . B 375 PHE CZ . 34259 1 1115 . 1 1 100 100 PHE N N 15 119.512 0.034 . . . . . . B 375 PHE N . 34259 1 1116 . 1 1 101 101 ASN H H 1 8.221 0.002 . . . . . . B 376 ASN H . 34259 1 1117 . 1 1 101 101 ASN HA H 1 4.652 0.006 . . . . . . B 376 ASN HA . 34259 1 1118 . 1 1 101 101 ASN HB2 H 1 2.772 0.002 . . . . . . B 376 ASN HB2 . 34259 1 1119 . 1 1 101 101 ASN HB3 H 1 2.607 0.003 . . . . . . B 376 ASN HB3 . 34259 1 1120 . 1 1 101 101 ASN HD21 H 1 7.509 0.000 . . . . . . B 376 ASN HD21 . 34259 1 1121 . 1 1 101 101 ASN HD22 H 1 6.839 0.000 . . . . . . B 376 ASN HD22 . 34259 1 1122 . 1 1 101 101 ASN CA C 13 53.147 0.000 . . . . . . B 376 ASN CA . 34259 1 1123 . 1 1 101 101 ASN CB C 13 38.773 0.009 . . . . . . B 376 ASN CB . 34259 1 1124 . 1 1 101 101 ASN N N 15 120.097 0.027 . . . . . . B 376 ASN N . 34259 1 1125 . 1 1 101 101 ASN ND2 N 15 112.850 0.006 . . . . . . B 376 ASN ND2 . 34259 1 1126 . 1 1 102 102 ARG H H 1 7.652 0.001 . . . . . . B 377 ARG H . 34259 1 1127 . 1 1 102 102 ARG HA H 1 4.109 0.008 . . . . . . B 377 ARG HA . 34259 1 1128 . 1 1 102 102 ARG HB2 H 1 1.803 0.003 . . . . . . B 377 ARG HB2 . 34259 1 1129 . 1 1 102 102 ARG HB3 H 1 1.659 0.004 . . . . . . B 377 ARG HB3 . 34259 1 1130 . 1 1 102 102 ARG HG2 H 1 1.530 0.004 . . . . . . B 377 ARG HG2 . 34259 1 1131 . 1 1 102 102 ARG HG3 H 1 1.530 0.004 . . . . . . B 377 ARG HG3 . 34259 1 1132 . 1 1 102 102 ARG HD2 H 1 3.116 0.004 . . . . . . B 377 ARG HD2 . 34259 1 1133 . 1 1 102 102 ARG HD3 H 1 3.116 0.004 . . . . . . B 377 ARG HD3 . 34259 1 1134 . 1 1 102 102 ARG CA C 13 57.347 0.015 . . . . . . B 377 ARG CA . 34259 1 1135 . 1 1 102 102 ARG CB C 13 31.398 0.031 . . . . . . B 377 ARG CB . 34259 1 1136 . 1 1 102 102 ARG CG C 13 27.022 0.000 . . . . . . B 377 ARG CG . 34259 1 1137 . 1 1 102 102 ARG CD C 13 43.280 0.000 . . . . . . B 377 ARG CD . 34259 1 1138 . 1 1 102 102 ARG N N 15 125.859 0.006 . . . . . . B 377 ARG N . 34259 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34259 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aromatic' . . . 34259 2 2 '3D 1H-15N NOESY' . . . 34259 2 3 '3D 1H-13C NOESY aliphatic' . . . 34259 2 4 '3D 1H-13C NOESY aliphatic' . . . 34259 2 5 '3D 1H-13C NOESY aromatic' . . . 34259 2 6 '2D 1H-1H NOESY' . . . 34259 2 7 '2D 1H-15N HSQC' . . . 34259 2 8 '2D 1H-15N HSQC' . . . 34259 2 9 '2D 1H-13C HSQC' . . . 34259 2 10 '2D 1H-13C HSQC' . . . 34259 2 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 G H1 H 1 12.766 0.000 . 1 . . . . A 1 G H1 . 34259 2 2 . 2 2 1 1 G H1' H 1 5.752 0.003 . 1 . . . . A 1 G H1' . 34259 2 3 . 2 2 1 1 G H2' H 1 4.917 0.002 . 1 . . . . A 1 G H2' . 34259 2 4 . 2 2 1 1 G H3' H 1 4.679 0.005 . 1 . . . . A 1 G H3' . 34259 2 5 . 2 2 1 1 G H4' H 1 4.526 0.000 . 1 . . . . A 1 G H4' . 34259 2 6 . 2 2 1 1 G H5' H 1 4.293 0.005 . 2 . . . . A 1 G H5' . 34259 2 7 . 2 2 1 1 G H5'' H 1 4.148 0.002 . 2 . . . . A 1 G H5'' . 34259 2 8 . 2 2 1 1 G H8 H 1 8.082 0.002 . 1 . . . . A 1 G H8 . 34259 2 9 . 2 2 1 1 G C1' C 13 92.170 0.000 . 1 . . . . A 1 G C1' . 34259 2 10 . 2 2 1 1 G C2' C 13 75.036 0.004 . 1 . . . . A 1 G C2' . 34259 2 11 . 2 2 1 1 G C3' C 13 74.627 0.042 . 1 . . . . A 1 G C3' . 34259 2 12 . 2 2 1 1 G C4' C 13 83.588 0.010 . 1 . . . . A 1 G C4' . 34259 2 13 . 2 2 1 1 G C5' C 13 66.146 0.009 . 1 . . . . A 1 G C5' . 34259 2 14 . 2 2 1 1 G C8 C 13 138.899 0.019 . 1 . . . . A 1 G C8 . 34259 2 15 . 2 2 1 1 G N1 N 15 147.757 0.000 . 1 . . . . A 1 G N1 . 34259 2 16 . 2 2 2 2 G H1 H 1 13.210 0.000 . 1 . . . . A 2 G H1 . 34259 2 17 . 2 2 2 2 G H1' H 1 5.888 0.004 . 1 . . . . A 2 G H1' . 34259 2 18 . 2 2 2 2 G H2' H 1 4.543 0.002 . 1 . . . . A 2 G H2' . 34259 2 19 . 2 2 2 2 G H3' H 1 4.577 0.003 . 1 . . . . A 2 G H3' . 34259 2 20 . 2 2 2 2 G H4' H 1 4.527 0.000 . 1 . . . . A 2 G H4' . 34259 2 21 . 2 2 2 2 G H5' H 1 4.534 0.000 . 2 . . . . A 2 G H5' . 34259 2 22 . 2 2 2 2 G H5'' H 1 4.225 0.002 . 2 . . . . A 2 G H5'' . 34259 2 23 . 2 2 2 2 G H8 H 1 7.544 0.003 . 1 . . . . A 2 G H8 . 34259 2 24 . 2 2 2 2 G C1' C 13 93.038 0.000 . 1 . . . . A 2 G C1' . 34259 2 25 . 2 2 2 2 G C2' C 13 75.359 0.008 . 1 . . . . A 2 G C2' . 34259 2 26 . 2 2 2 2 G C3' C 13 72.978 0.006 . 1 . . . . A 2 G C3' . 34259 2 27 . 2 2 2 2 G C4' C 13 82.432 0.016 . 1 . . . . A 2 G C4' . 34259 2 28 . 2 2 2 2 G C5' C 13 65.754 0.026 . 1 . . . . A 2 G C5' . 34259 2 29 . 2 2 2 2 G C8 C 13 140.766 0.018 . 1 . . . . A 2 G C8 . 34259 2 30 . 2 2 2 2 G N1 N 15 148.432 0.000 . 1 . . . . A 2 G N1 . 34259 2 31 . 2 2 3 3 C H1' H 1 5.517 0.007 . 1 . . . . A 3 C H1' . 34259 2 32 . 2 2 3 3 C H2' H 1 4.531 0.007 . 1 . . . . A 3 C H2' . 34259 2 33 . 2 2 3 3 C H3' H 1 4.555 0.002 . 1 . . . . A 3 C H3' . 34259 2 34 . 2 2 3 3 C H4' H 1 4.427 0.001 . 1 . . . . A 3 C H4' . 34259 2 35 . 2 2 3 3 C H5 H 1 5.257 0.003 . 1 . . . . A 3 C H5 . 34259 2 36 . 2 2 3 3 C H5' H 1 4.554 0.000 . 2 . . . . A 3 C H5' . 34259 2 37 . 2 2 3 3 C H5'' H 1 4.115 0.000 . 2 . . . . A 3 C H5'' . 34259 2 38 . 2 2 3 3 C H6 H 1 7.651 0.002 . 1 . . . . A 3 C H6 . 34259 2 39 . 2 2 3 3 C H41 H 1 8.407 0.000 . 2 . . . . A 3 C H41 . 34259 2 40 . 2 2 3 3 C H42 H 1 6.808 0.000 . 2 . . . . A 3 C H42 . 34259 2 41 . 2 2 3 3 C C1' C 13 93.831 0.001 . 1 . . . . A 3 C C1' . 34259 2 42 . 2 2 3 3 C C2' C 13 75.404 0.011 . 1 . . . . A 3 C C2' . 34259 2 43 . 2 2 3 3 C C3' C 13 72.166 0.027 . 1 . . . . A 3 C C3' . 34259 2 44 . 2 2 3 3 C C4' C 13 81.965 0.013 . 1 . . . . A 3 C C4' . 34259 2 45 . 2 2 3 3 C C5 C 13 97.542 0.000 . 1 . . . . A 3 C C5 . 34259 2 46 . 2 2 3 3 C C5' C 13 64.548 0.016 . 1 . . . . A 3 C C5' . 34259 2 47 . 2 2 3 3 C C6 C 13 140.754 0.033 . 1 . . . . A 3 C C6 . 34259 2 48 . 2 2 3 3 C N4 N 15 98.254 0.007 . 1 . . . . A 3 C N4 . 34259 2 49 . 2 2 4 4 A H1' H 1 6.011 0.002 . 1 . . . . A 4 A H1' . 34259 2 50 . 2 2 4 4 A H2 H 1 6.932 0.002 . 1 . . . . A 4 A H2 . 34259 2 51 . 2 2 4 4 A H2' H 1 4.659 0.003 . 1 . . . . A 4 A H2' . 34259 2 52 . 2 2 4 4 A H3' H 1 4.667 0.003 . 1 . . . . A 4 A H3' . 34259 2 53 . 2 2 4 4 A H4' H 1 4.473 0.003 . 1 . . . . A 4 A H4' . 34259 2 54 . 2 2 4 4 A H5' H 1 4.540 0.002 . 2 . . . . A 4 A H5' . 34259 2 55 . 2 2 4 4 A H5'' H 1 4.153 0.000 . 2 . . . . A 4 A H5'' . 34259 2 56 . 2 2 4 4 A H8 H 1 7.986 0.004 . 1 . . . . A 4 A H8 . 34259 2 57 . 2 2 4 4 A C1' C 13 92.434 0.017 . 1 . . . . A 4 A C1' . 34259 2 58 . 2 2 4 4 A C2 C 13 152.404 0.075 . 1 . . . . A 4 A C2 . 34259 2 59 . 2 2 4 4 A C2' C 13 76.276 0.033 . 1 . . . . A 4 A C2' . 34259 2 60 . 2 2 4 4 A C3' C 13 73.181 0.016 . 1 . . . . A 4 A C3' . 34259 2 61 . 2 2 4 4 A C4' C 13 81.888 0.009 . 1 . . . . A 4 A C4' . 34259 2 62 . 2 2 4 4 A C5' C 13 65.287 0.054 . 1 . . . . A 4 A C5' . 34259 2 63 . 2 2 4 4 A C8 C 13 139.475 0.043 . 1 . . . . A 4 A C8 . 34259 2 64 . 2 2 5 5 G H1 H 1 10.547 0.000 . 1 . . . . A 5 G H1 . 34259 2 65 . 2 2 5 5 G H1' H 1 5.509 0.004 . 1 . . . . A 5 G H1' . 34259 2 66 . 2 2 5 5 G H2' H 1 4.646 0.003 . 1 . . . . A 5 G H2' . 34259 2 67 . 2 2 5 5 G H3' H 1 4.245 0.004 . 1 . . . . A 5 G H3' . 34259 2 68 . 2 2 5 5 G H4' H 1 4.482 0.004 . 1 . . . . A 5 G H4' . 34259 2 69 . 2 2 5 5 G H5' H 1 4.303 0.000 . 2 . . . . A 5 G H5' . 34259 2 70 . 2 2 5 5 G H5'' H 1 4.013 0.004 . 2 . . . . A 5 G H5'' . 34259 2 71 . 2 2 5 5 G H8 H 1 6.917 0.005 . 1 . . . . A 5 G H8 . 34259 2 72 . 2 2 5 5 G C1' C 13 93.292 0.014 . 1 . . . . A 5 G C1' . 34259 2 73 . 2 2 5 5 G C2' C 13 75.126 0.002 . 1 . . . . A 5 G C2' . 34259 2 74 . 2 2 5 5 G C3' C 13 73.761 0.033 . 1 . . . . A 5 G C3' . 34259 2 75 . 2 2 5 5 G C4' C 13 82.410 0.054 . 1 . . . . A 5 G C4' . 34259 2 76 . 2 2 5 5 G C5' C 13 67.639 0.029 . 1 . . . . A 5 G C5' . 34259 2 77 . 2 2 5 5 G C8 C 13 136.586 0.012 . 1 . . . . A 5 G C8 . 34259 2 78 . 2 2 5 5 G N1 N 15 142.944 0.000 . 1 . . . . A 5 G N1 . 34259 2 79 . 2 2 6 6 A H1' H 1 5.929 0.004 . 1 . . . . A 6 A H1' . 34259 2 80 . 2 2 6 6 A H2 H 1 7.963 0.001 . 1 . . . . A 6 A H2 . 34259 2 81 . 2 2 6 6 A H2' H 1 4.441 0.002 . 1 . . . . A 6 A H2' . 34259 2 82 . 2 2 6 6 A H3' H 1 4.594 0.003 . 1 . . . . A 6 A H3' . 34259 2 83 . 2 2 6 6 A H4' H 1 4.463 0.004 . 1 . . . . A 6 A H4' . 34259 2 84 . 2 2 6 6 A H5' H 1 4.501 0.012 . 2 . . . . A 6 A H5' . 34259 2 85 . 2 2 6 6 A H5'' H 1 4.082 0.003 . 2 . . . . A 6 A H5'' . 34259 2 86 . 2 2 6 6 A H8 H 1 7.679 0.003 . 1 . . . . A 6 A H8 . 34259 2 87 . 2 2 6 6 A C1' C 13 93.055 0.032 . 1 . . . . A 6 A C1' . 34259 2 88 . 2 2 6 6 A C2 C 13 154.472 0.161 . 1 . . . . A 6 A C2 . 34259 2 89 . 2 2 6 6 A C2' C 13 75.780 0.006 . 1 . . . . A 6 A C2' . 34259 2 90 . 2 2 6 6 A C3' C 13 72.708 0.014 . 1 . . . . A 6 A C3' . 34259 2 91 . 2 2 6 6 A C4' C 13 82.349 0.018 . 1 . . . . A 6 A C4' . 34259 2 92 . 2 2 6 6 A C5' C 13 64.558 0.041 . 1 . . . . A 6 A C5' . 34259 2 93 . 2 2 6 6 A C8 C 13 139.537 0.035 . 1 . . . . A 6 A C8 . 34259 2 94 . 2 2 7 7 U H1' H 1 5.561 0.005 . 1 . . . . A 7 U H1' . 34259 2 95 . 2 2 7 7 U H2' H 1 4.330 0.003 . 1 . . . . A 7 U H2' . 34259 2 96 . 2 2 7 7 U H3 H 1 13.822 0.000 . 1 . . . . A 7 U H3 . 34259 2 97 . 2 2 7 7 U H3' H 1 4.317 0.007 . 1 . . . . A 7 U H3' . 34259 2 98 . 2 2 7 7 U H4' H 1 4.414 0.003 . 1 . . . . A 7 U H4' . 34259 2 99 . 2 2 7 7 U H5 H 1 5.038 0.002 . 1 . . . . A 7 U H5 . 34259 2 100 . 2 2 7 7 U H5' H 1 4.392 0.002 . 2 . . . . A 7 U H5' . 34259 2 101 . 2 2 7 7 U H5'' H 1 4.024 0.004 . 2 . . . . A 7 U H5'' . 34259 2 102 . 2 2 7 7 U H6 H 1 7.342 0.004 . 1 . . . . A 7 U H6 . 34259 2 103 . 2 2 7 7 U C1' C 13 92.544 0.028 . 1 . . . . A 7 U C1' . 34259 2 104 . 2 2 7 7 U C2' C 13 75.738 0.027 . 1 . . . . A 7 U C2' . 34259 2 105 . 2 2 7 7 U C3' C 13 73.974 0.078 . 1 . . . . A 7 U C3' . 34259 2 106 . 2 2 7 7 U C4' C 13 83.169 0.042 . 1 . . . . A 7 U C4' . 34259 2 107 . 2 2 7 7 U C5 C 13 103.576 0.052 . 1 . . . . A 7 U C5 . 34259 2 108 . 2 2 7 7 U C5' C 13 65.898 0.020 . 1 . . . . A 7 U C5' . 34259 2 109 . 2 2 7 7 U C6 C 13 141.553 0.026 . 1 . . . . A 7 U C6 . 34259 2 110 . 2 2 7 7 U N3 N 15 161.954 0.000 . 1 . . . . A 7 U N3 . 34259 2 111 . 2 2 8 8 U H1' H 1 5.518 0.004 . 1 . . . . A 8 U H1' . 34259 2 112 . 2 2 8 8 U H2' H 1 4.249 0.003 . 1 . . . . A 8 U H2' . 34259 2 113 . 2 2 8 8 U H3' H 1 4.533 0.003 . 1 . . . . A 8 U H3' . 34259 2 114 . 2 2 8 8 U H4' H 1 4.411 0.003 . 1 . . . . A 8 U H4' . 34259 2 115 . 2 2 8 8 U H5 H 1 5.645 0.002 . 1 . . . . A 8 U H5 . 34259 2 116 . 2 2 8 8 U H5' H 1 4.341 0.000 . 2 . . . . A 8 U H5' . 34259 2 117 . 2 2 8 8 U H5'' H 1 4.079 0.001 . 2 . . . . A 8 U H5'' . 34259 2 118 . 2 2 8 8 U H6 H 1 7.722 0.002 . 1 . . . . A 8 U H6 . 34259 2 119 . 2 2 8 8 U C1' C 13 93.102 0.010 . 1 . . . . A 8 U C1' . 34259 2 120 . 2 2 8 8 U C2' C 13 75.553 0.047 . 1 . . . . A 8 U C2' . 34259 2 121 . 2 2 8 8 U C3' C 13 73.989 0.007 . 1 . . . . A 8 U C3' . 34259 2 122 . 2 2 8 8 U C4' C 13 83.499 0.024 . 1 . . . . A 8 U C4' . 34259 2 123 . 2 2 8 8 U C5 C 13 105.000 0.010 . 1 . . . . A 8 U C5 . 34259 2 124 . 2 2 8 8 U C5' C 13 65.766 0.026 . 1 . . . . A 8 U C5' . 34259 2 125 . 2 2 8 8 U C6 C 13 142.032 0.043 . 1 . . . . A 8 U C6 . 34259 2 126 . 2 2 9 9 A H1' H 1 5.768 0.005 . 1 . . . . A 9 A H1' . 34259 2 127 . 2 2 9 9 A H2 H 1 7.713 0.000 . 1 . . . . A 9 A H2 . 34259 2 128 . 2 2 9 9 A H2' H 1 4.545 0.005 . 1 . . . . A 9 A H2' . 34259 2 129 . 2 2 9 9 A H3' H 1 4.505 0.005 . 1 . . . . A 9 A H3' . 34259 2 130 . 2 2 9 9 A H4' H 1 4.422 0.004 . 1 . . . . A 9 A H4' . 34259 2 131 . 2 2 9 9 A H5' H 1 4.381 0.003 . 2 . . . . A 9 A H5' . 34259 2 132 . 2 2 9 9 A H5'' H 1 4.091 0.004 . 2 . . . . A 9 A H5'' . 34259 2 133 . 2 2 9 9 A H8 H 1 8.090 0.004 . 1 . . . . A 9 A H8 . 34259 2 134 . 2 2 9 9 A C1' C 13 92.086 0.013 . 1 . . . . A 9 A C1' . 34259 2 135 . 2 2 9 9 A C2 C 13 154.634 0.000 . 1 . . . . A 9 A C2 . 34259 2 136 . 2 2 9 9 A C2' C 13 75.742 0.018 . 1 . . . . A 9 A C2' . 34259 2 137 . 2 2 9 9 A C3' C 13 74.184 0.037 . 1 . . . . A 9 A C3' . 34259 2 138 . 2 2 9 9 A C4' C 13 83.630 0.003 . 1 . . . . A 9 A C4' . 34259 2 139 . 2 2 9 9 A C5' C 13 66.161 0.023 . 1 . . . . A 9 A C5' . 34259 2 140 . 2 2 9 9 A C8 C 13 140.843 0.038 . 1 . . . . A 9 A C8 . 34259 2 141 . 2 2 10 10 C H1' H 1 5.429 0.005 . 1 . . . . A 10 C H1' . 34259 2 142 . 2 2 10 10 C H2' H 1 4.124 0.002 . 1 . . . . A 10 C H2' . 34259 2 143 . 2 2 10 10 C H3' H 1 4.426 0.004 . 1 . . . . A 10 C H3' . 34259 2 144 . 2 2 10 10 C H4' H 1 4.172 0.004 . 1 . . . . A 10 C H4' . 34259 2 145 . 2 2 10 10 C H5 H 1 5.437 0.003 . 1 . . . . A 10 C H5 . 34259 2 146 . 2 2 10 10 C H5' H 1 4.214 0.001 . 2 . . . . A 10 C H5' . 34259 2 147 . 2 2 10 10 C H5'' H 1 3.999 0.004 . 2 . . . . A 10 C H5'' . 34259 2 148 . 2 2 10 10 C H6 H 1 7.447 0.003 . 1 . . . . A 10 C H6 . 34259 2 149 . 2 2 10 10 C C1' C 13 92.597 0.041 . 1 . . . . A 10 C C1' . 34259 2 150 . 2 2 10 10 C C2' C 13 75.807 0.025 . 1 . . . . A 10 C C2' . 34259 2 151 . 2 2 10 10 C C3' C 13 74.397 0.029 . 1 . . . . A 10 C C3' . 34259 2 152 . 2 2 10 10 C C4' C 13 83.384 0.032 . 1 . . . . A 10 C C4' . 34259 2 153 . 2 2 10 10 C C5 C 13 97.680 0.016 . 1 . . . . A 10 C C5 . 34259 2 154 . 2 2 10 10 C C5' C 13 65.808 0.025 . 1 . . . . A 10 C C5' . 34259 2 155 . 2 2 10 10 C C6 C 13 142.072 0.040 . 1 . . . . A 10 C C6 . 34259 2 156 . 2 2 11 11 A H1' H 1 5.771 0.004 . 1 . . . . A 11 A H1' . 34259 2 157 . 2 2 11 11 A H2 H 1 7.901 0.000 . 1 . . . . A 11 A H2 . 34259 2 158 . 2 2 11 11 A H2' H 1 4.537 0.003 . 1 . . . . A 11 A H2' . 34259 2 159 . 2 2 11 11 A H3' H 1 4.647 0.002 . 1 . . . . A 11 A H3' . 34259 2 160 . 2 2 11 11 A H4' H 1 4.355 0.002 . 1 . . . . A 11 A H4' . 34259 2 161 . 2 2 11 11 A H5' H 1 4.162 0.004 . 2 . . . . A 11 A H5' . 34259 2 162 . 2 2 11 11 A H5'' H 1 4.027 0.007 . 2 . . . . A 11 A H5'' . 34259 2 163 . 2 2 11 11 A H8 H 1 8.151 0.002 . 1 . . . . A 11 A H8 . 34259 2 164 . 2 2 11 11 A C1' C 13 90.708 0.016 . 1 . . . . A 11 A C1' . 34259 2 165 . 2 2 11 11 A C2 C 13 155.014 0.000 . 1 . . . . A 11 A C2 . 34259 2 166 . 2 2 11 11 A C2' C 13 76.022 0.004 . 1 . . . . A 11 A C2' . 34259 2 167 . 2 2 11 11 A C3' C 13 76.109 0.034 . 1 . . . . A 11 A C3' . 34259 2 168 . 2 2 11 11 A C4' C 13 84.506 0.050 . 1 . . . . A 11 A C4' . 34259 2 169 . 2 2 11 11 A C5' C 13 67.076 0.056 . 1 . . . . A 11 A C5' . 34259 2 170 . 2 2 11 11 A C8 C 13 141.583 0.030 . 1 . . . . A 11 A C8 . 34259 2 171 . 2 2 12 12 A H1' H 1 5.940 0.001 . 1 . . . . A 12 A H1' . 34259 2 172 . 2 2 12 12 A H2 H 1 8.079 0.000 . 1 . . . . A 12 A H2 . 34259 2 173 . 2 2 12 12 A H2' H 1 4.687 0.006 . 1 . . . . A 12 A H2' . 34259 2 174 . 2 2 12 12 A H3' H 1 4.726 0.008 . 1 . . . . A 12 A H3' . 34259 2 175 . 2 2 12 12 A H4' H 1 4.461 0.002 . 1 . . . . A 12 A H4' . 34259 2 176 . 2 2 12 12 A H5' H 1 4.283 0.005 . 2 . . . . A 12 A H5' . 34259 2 177 . 2 2 12 12 A H5'' H 1 4.124 0.001 . 2 . . . . A 12 A H5'' . 34259 2 178 . 2 2 12 12 A H8 H 1 8.223 0.003 . 1 . . . . A 12 A H8 . 34259 2 179 . 2 2 12 12 A C1' C 13 90.086 0.024 . 1 . . . . A 12 A C1' . 34259 2 180 . 2 2 12 12 A C2 C 13 155.345 0.000 . 1 . . . . A 12 A C2 . 34259 2 181 . 2 2 12 12 A C2' C 13 76.332 0.023 . 1 . . . . A 12 A C2' . 34259 2 182 . 2 2 12 12 A C3' C 13 76.957 0.036 . 1 . . . . A 12 A C3' . 34259 2 183 . 2 2 12 12 A C4' C 13 85.220 0.019 . 1 . . . . A 12 A C4' . 34259 2 184 . 2 2 12 12 A C5' C 13 67.449 0.022 . 1 . . . . A 12 A C5' . 34259 2 185 . 2 2 12 12 A C8 C 13 141.825 0.042 . 1 . . . . A 12 A C8 . 34259 2 186 . 2 2 13 13 U H1' H 1 5.863 0.001 . 1 . . . . A 13 U H1' . 34259 2 187 . 2 2 13 13 U H2' H 1 4.268 0.002 . 1 . . . . A 13 U H2' . 34259 2 188 . 2 2 13 13 U H3' H 1 4.597 0.009 . 1 . . . . A 13 U H3' . 34259 2 189 . 2 2 13 13 U H4' H 1 4.360 0.007 . 1 . . . . A 13 U H4' . 34259 2 190 . 2 2 13 13 U H5 H 1 5.688 0.004 . 1 . . . . A 13 U H5 . 34259 2 191 . 2 2 13 13 U H5' H 1 4.190 0.000 . 2 . . . . A 13 U H5' . 34259 2 192 . 2 2 13 13 U H5'' H 1 3.996 0.008 . 2 . . . . A 13 U H5'' . 34259 2 193 . 2 2 13 13 U H6 H 1 7.654 0.002 . 1 . . . . A 13 U H6 . 34259 2 194 . 2 2 13 13 U C1' C 13 90.240 0.007 . 1 . . . . A 13 U C1' . 34259 2 195 . 2 2 13 13 U C2' C 13 75.795 0.010 . 1 . . . . A 13 U C2' . 34259 2 196 . 2 2 13 13 U C3' C 13 77.151 0.049 . 1 . . . . A 13 U C3' . 34259 2 197 . 2 2 13 13 U C4' C 13 85.342 0.056 . 1 . . . . A 13 U C4' . 34259 2 198 . 2 2 13 13 U C5 C 13 105.475 0.000 . 1 . . . . A 13 U C5 . 34259 2 199 . 2 2 13 13 U C5' C 13 67.789 0.050 . 1 . . . . A 13 U C5' . 34259 2 200 . 2 2 13 13 U C6 C 13 143.613 0.147 . 1 . . . . A 13 U C6 . 34259 2 201 . 2 2 14 14 U H1' H 1 5.880 0.004 . 1 . . . . A 14 U H1' . 34259 2 202 . 2 2 14 14 U H2' H 1 4.284 0.004 . 1 . . . . A 14 U H2' . 34259 2 203 . 2 2 14 14 U H3' H 1 4.609 0.002 . 1 . . . . A 14 U H3' . 34259 2 204 . 2 2 14 14 U H4' H 1 4.393 0.008 . 1 . . . . A 14 U H4' . 34259 2 205 . 2 2 14 14 U H5 H 1 5.688 0.009 . 1 . . . . A 14 U H5 . 34259 2 206 . 2 2 14 14 U H5' H 1 4.172 0.000 . 2 . . . . A 14 U H5' . 34259 2 207 . 2 2 14 14 U H5'' H 1 4.099 0.000 . 2 . . . . A 14 U H5'' . 34259 2 208 . 2 2 14 14 U H6 H 1 7.693 0.007 . 1 . . . . A 14 U H6 . 34259 2 209 . 2 2 14 14 U C1' C 13 90.179 0.051 . 1 . . . . A 14 U C1' . 34259 2 210 . 2 2 14 14 U C2' C 13 75.725 0.028 . 1 . . . . A 14 U C2' . 34259 2 211 . 2 2 14 14 U C3' C 13 76.870 0.008 . 1 . . . . A 14 U C3' . 34259 2 212 . 2 2 14 14 U C4' C 13 85.544 0.058 . 1 . . . . A 14 U C4' . 34259 2 213 . 2 2 14 14 U C5 C 13 105.321 0.000 . 1 . . . . A 14 U C5 . 34259 2 214 . 2 2 14 14 U C5' C 13 67.583 0.026 . 1 . . . . A 14 U C5' . 34259 2 215 . 2 2 14 14 U C6 C 13 143.663 0.074 . 1 . . . . A 14 U C6 . 34259 2 216 . 2 2 15 15 C H1' H 1 5.893 0.003 . 1 . . . . A 15 C H1' . 34259 2 217 . 2 2 15 15 C H2' H 1 4.391 0.001 . 1 . . . . A 15 C H2' . 34259 2 218 . 2 2 15 15 C H3' H 1 4.593 0.005 . 1 . . . . A 15 C H3' . 34259 2 219 . 2 2 15 15 C H4' H 1 4.463 0.002 . 1 . . . . A 15 C H4' . 34259 2 220 . 2 2 15 15 C H5 H 1 5.921 0.003 . 1 . . . . A 15 C H5 . 34259 2 221 . 2 2 15 15 C H5' H 1 4.273 0.004 . 2 . . . . A 15 C H5' . 34259 2 222 . 2 2 15 15 C H5'' H 1 4.178 0.004 . 2 . . . . A 15 C H5'' . 34259 2 223 . 2 2 15 15 C H6 H 1 7.884 0.003 . 1 . . . . A 15 C H6 . 34259 2 224 . 2 2 15 15 C C1' C 13 92.336 0.017 . 1 . . . . A 15 C C1' . 34259 2 225 . 2 2 15 15 C C2' C 13 76.236 0.009 . 1 . . . . A 15 C C2' . 34259 2 226 . 2 2 15 15 C C3' C 13 76.268 0.026 . 1 . . . . A 15 C C3' . 34259 2 227 . 2 2 15 15 C C4' C 13 84.694 0.050 . 1 . . . . A 15 C C4' . 34259 2 228 . 2 2 15 15 C C5 C 13 98.525 0.038 . 1 . . . . A 15 C C5 . 34259 2 229 . 2 2 15 15 C C5' C 13 67.583 0.025 . 1 . . . . A 15 C C5' . 34259 2 230 . 2 2 15 15 C C6 C 13 144.116 0.048 . 1 . . . . A 15 C C6 . 34259 2 231 . 2 2 16 16 U H1' H 1 5.661 0.003 . 1 . . . . A 16 U H1' . 34259 2 232 . 2 2 16 16 U H2' H 1 4.568 0.005 . 1 . . . . A 16 U H2' . 34259 2 233 . 2 2 16 16 U H3' H 1 4.532 0.001 . 1 . . . . A 16 U H3' . 34259 2 234 . 2 2 16 16 U H4' H 1 4.488 0.002 . 1 . . . . A 16 U H4' . 34259 2 235 . 2 2 16 16 U H5 H 1 5.753 0.002 . 1 . . . . A 16 U H5 . 34259 2 236 . 2 2 16 16 U H5' H 1 4.391 0.001 . 2 . . . . A 16 U H5' . 34259 2 237 . 2 2 16 16 U H5'' H 1 4.179 0.003 . 2 . . . . A 16 U H5'' . 34259 2 238 . 2 2 16 16 U H6 H 1 7.884 0.002 . 1 . . . . A 16 U H6 . 34259 2 239 . 2 2 16 16 U C1' C 13 93.206 0.021 . 1 . . . . A 16 U C1' . 34259 2 240 . 2 2 16 16 U C2' C 13 75.336 0.039 . 1 . . . . A 16 U C2' . 34259 2 241 . 2 2 16 16 U C3' C 13 74.194 0.019 . 1 . . . . A 16 U C3' . 34259 2 242 . 2 2 16 16 U C4' C 13 83.214 0.029 . 1 . . . . A 16 U C4' . 34259 2 243 . 2 2 16 16 U C5 C 13 104.281 0.029 . 1 . . . . A 16 U C5 . 34259 2 244 . 2 2 16 16 U C5' C 13 66.621 0.032 . 1 . . . . A 16 U C5' . 34259 2 245 . 2 2 16 16 U C6 C 13 143.173 0.064 . 1 . . . . A 16 U C6 . 34259 2 246 . 2 2 17 17 A H1' H 1 6.005 0.002 . 1 . . . . A 17 A H1' . 34259 2 247 . 2 2 17 17 A H2 H 1 7.800 0.002 . 1 . . . . A 17 A H2 . 34259 2 248 . 2 2 17 17 A H2' H 1 4.655 0.004 . 1 . . . . A 17 A H2' . 34259 2 249 . 2 2 17 17 A H3' H 1 4.608 0.004 . 1 . . . . A 17 A H3' . 34259 2 250 . 2 2 17 17 A H4' H 1 4.530 0.002 . 1 . . . . A 17 A H4' . 34259 2 251 . 2 2 17 17 A H5' H 1 4.473 0.004 . 2 . . . . A 17 A H5' . 34259 2 252 . 2 2 17 17 A H5'' H 1 4.190 0.003 . 2 . . . . A 17 A H5'' . 34259 2 253 . 2 2 17 17 A H8 H 1 8.211 0.003 . 1 . . . . A 17 A H8 . 34259 2 254 . 2 2 17 17 A C1' C 13 92.382 0.020 . 1 . . . . A 17 A C1' . 34259 2 255 . 2 2 17 17 A C2 C 13 153.664 0.000 . 1 . . . . A 17 A C2 . 34259 2 256 . 2 2 17 17 A C2' C 13 75.748 0.026 . 1 . . . . A 17 A C2' . 34259 2 257 . 2 2 17 17 A C3' C 13 73.775 0.015 . 1 . . . . A 17 A C3' . 34259 2 258 . 2 2 17 17 A C4' C 13 82.718 0.087 . 1 . . . . A 17 A C4' . 34259 2 259 . 2 2 17 17 A C5' C 13 66.025 0.023 . 1 . . . . A 17 A C5' . 34259 2 260 . 2 2 17 17 A C8 C 13 140.396 0.035 . 1 . . . . A 17 A C8 . 34259 2 261 . 2 2 18 18 U H1' H 1 5.469 0.006 . 1 . . . . A 18 U H1' . 34259 2 262 . 2 2 18 18 U H2' H 1 4.592 0.003 . 1 . . . . A 18 U H2' . 34259 2 263 . 2 2 18 18 U H3 H 1 13.938 0.000 . 1 . . . . A 18 U H3 . 34259 2 264 . 2 2 18 18 U H3' H 1 4.234 0.001 . 1 . . . . A 18 U H3' . 34259 2 265 . 2 2 18 18 U H4' H 1 4.461 0.002 . 1 . . . . A 18 U H4' . 34259 2 266 . 2 2 18 18 U H5 H 1 5.150 0.005 . 1 . . . . A 18 U H5 . 34259 2 267 . 2 2 18 18 U H5' H 1 4.421 0.002 . 2 . . . . A 18 U H5' . 34259 2 268 . 2 2 18 18 U H5'' H 1 4.069 0.011 . 2 . . . . A 18 U H5'' . 34259 2 269 . 2 2 18 18 U H6 H 1 7.425 0.002 . 1 . . . . A 18 U H6 . 34259 2 270 . 2 2 18 18 U C1' C 13 93.845 0.002 . 1 . . . . A 18 U C1' . 34259 2 271 . 2 2 18 18 U C2' C 13 75.311 0.015 . 1 . . . . A 18 U C2' . 34259 2 272 . 2 2 18 18 U C3' C 13 72.989 0.029 . 1 . . . . A 18 U C3' . 34259 2 273 . 2 2 18 18 U C4' C 13 82.675 0.003 . 1 . . . . A 18 U C4' . 34259 2 274 . 2 2 18 18 U C5 C 13 103.341 0.046 . 1 . . . . A 18 U C5 . 34259 2 275 . 2 2 18 18 U C5' C 13 65.811 0.039 . 1 . . . . A 18 U C5' . 34259 2 276 . 2 2 18 18 U C6 C 13 141.645 0.038 . 1 . . . . A 18 U C6 . 34259 2 277 . 2 2 18 18 U N3 N 15 162.086 0.000 . 1 . . . . A 18 U N3 . 34259 2 278 . 2 2 19 19 U H1' H 1 5.553 0.004 . 1 . . . . A 19 U H1' . 34259 2 279 . 2 2 19 19 U H2' H 1 4.194 0.002 . 1 . . . . A 19 U H2' . 34259 2 280 . 2 2 19 19 U H3 H 1 11.757 0.000 . 1 . . . . A 19 U H3 . 34259 2 281 . 2 2 19 19 U H3' H 1 4.560 0.003 . 1 . . . . A 19 U H3' . 34259 2 282 . 2 2 19 19 U H4' H 1 4.452 0.000 . 1 . . . . A 19 U H4' . 34259 2 283 . 2 2 19 19 U H5 H 1 5.714 0.003 . 1 . . . . A 19 U H5 . 34259 2 284 . 2 2 19 19 U H5' H 1 4.477 0.003 . 2 . . . . A 19 U H5' . 34259 2 285 . 2 2 19 19 U H5'' H 1 4.088 0.002 . 2 . . . . A 19 U H5'' . 34259 2 286 . 2 2 19 19 U H6 H 1 7.912 0.003 . 1 . . . . A 19 U H6 . 34259 2 287 . 2 2 19 19 U C1' C 13 94.078 0.006 . 1 . . . . A 19 U C1' . 34259 2 288 . 2 2 19 19 U C2' C 13 75.698 0.019 . 1 . . . . A 19 U C2' . 34259 2 289 . 2 2 19 19 U C3' C 13 73.046 0.012 . 1 . . . . A 19 U C3' . 34259 2 290 . 2 2 19 19 U C4' C 13 82.905 0.000 . 1 . . . . A 19 U C4' . 34259 2 291 . 2 2 19 19 U C5 C 13 104.893 0.072 . 1 . . . . A 19 U C5 . 34259 2 292 . 2 2 19 19 U C5' C 13 64.948 0.011 . 1 . . . . A 19 U C5' . 34259 2 293 . 2 2 19 19 U C6 C 13 141.694 0.028 . 1 . . . . A 19 U C6 . 34259 2 294 . 2 2 19 19 U N3 N 15 158.306 0.000 . 1 . . . . A 19 U N3 . 34259 2 295 . 2 2 20 20 U H1' H 1 5.537 0.003 . 1 . . . . A 20 U H1' . 34259 2 296 . 2 2 20 20 U H2' H 1 4.577 0.002 . 1 . . . . A 20 U H2' . 34259 2 297 . 2 2 20 20 U H3 H 1 13.218 0.000 . 1 . . . . A 20 U H3 . 34259 2 298 . 2 2 20 20 U H3' H 1 4.590 0.005 . 1 . . . . A 20 U H3' . 34259 2 299 . 2 2 20 20 U H4' H 1 4.417 0.001 . 1 . . . . A 20 U H4' . 34259 2 300 . 2 2 20 20 U H5 H 1 5.606 0.002 . 1 . . . . A 20 U H5 . 34259 2 301 . 2 2 20 20 U H5' H 1 4.544 0.001 . 2 . . . . A 20 U H5' . 34259 2 302 . 2 2 20 20 U H5'' H 1 4.135 0.006 . 2 . . . . A 20 U H5'' . 34259 2 303 . 2 2 20 20 U H6 H 1 7.987 0.002 . 1 . . . . A 20 U H6 . 34259 2 304 . 2 2 20 20 U C1' C 13 92.934 0.027 . 1 . . . . A 20 U C1' . 34259 2 305 . 2 2 20 20 U C2' C 13 75.129 0.029 . 1 . . . . A 20 U C2' . 34259 2 306 . 2 2 20 20 U C3' C 13 73.054 0.036 . 1 . . . . A 20 U C3' . 34259 2 307 . 2 2 20 20 U C4' C 13 82.354 0.025 . 1 . . . . A 20 U C4' . 34259 2 308 . 2 2 20 20 U C5 C 13 104.032 0.035 . 1 . . . . A 20 U C5 . 34259 2 309 . 2 2 20 20 U C5' C 13 65.311 0.041 . 1 . . . . A 20 U C5' . 34259 2 310 . 2 2 20 20 U C6 C 13 142.851 0.031 . 1 . . . . A 20 U C6 . 34259 2 311 . 2 2 20 20 U N3 N 15 161.673 0.000 . 1 . . . . A 20 U N3 . 34259 2 312 . 2 2 21 21 G H1 H 1 12.527 0.000 . 1 . . . . A 21 G H1 . 34259 2 313 . 2 2 21 21 G H1' H 1 5.779 0.002 . 1 . . . . A 21 G H1' . 34259 2 314 . 2 2 21 21 G H2' H 1 4.494 0.004 . 1 . . . . A 21 G H2' . 34259 2 315 . 2 2 21 21 G H3' H 1 4.556 0.004 . 1 . . . . A 21 G H3' . 34259 2 316 . 2 2 21 21 G H4' H 1 4.476 0.001 . 1 . . . . A 21 G H4' . 34259 2 317 . 2 2 21 21 G H5' H 1 4.490 0.000 . 2 . . . . A 21 G H5' . 34259 2 318 . 2 2 21 21 G H5'' H 1 4.165 0.001 . 2 . . . . A 21 G H5'' . 34259 2 319 . 2 2 21 21 G H8 H 1 7.785 0.003 . 1 . . . . A 21 G H8 . 34259 2 320 . 2 2 21 21 G C1' C 13 92.792 0.012 . 1 . . . . A 21 G C1' . 34259 2 321 . 2 2 21 21 G C2' C 13 75.293 0.024 . 1 . . . . A 21 G C2' . 34259 2 322 . 2 2 21 21 G C3' C 13 73.011 0.010 . 1 . . . . A 21 G C3' . 34259 2 323 . 2 2 21 21 G C4' C 13 82.111 0.040 . 1 . . . . A 21 G C4' . 34259 2 324 . 2 2 21 21 G C5' C 13 65.745 0.033 . 1 . . . . A 21 G C5' . 34259 2 325 . 2 2 21 21 G C8 C 13 136.546 0.036 . 1 . . . . A 21 G C8 . 34259 2 326 . 2 2 21 21 G N1 N 15 147.721 0.000 . 1 . . . . A 21 G N1 . 34259 2 327 . 2 2 22 22 C H1' H 1 5.466 0.004 . 1 . . . . A 22 C H1' . 34259 2 328 . 2 2 22 22 C H2' H 1 4.197 0.002 . 1 . . . . A 22 C H2' . 34259 2 329 . 2 2 22 22 C H3' H 1 4.425 0.003 . 1 . . . . A 22 C H3' . 34259 2 330 . 2 2 22 22 C H4' H 1 4.372 0.001 . 1 . . . . A 22 C H4' . 34259 2 331 . 2 2 22 22 C H5 H 1 5.207 0.003 . 1 . . . . A 22 C H5 . 34259 2 332 . 2 2 22 22 C H5' H 1 4.537 0.000 . 2 . . . . A 22 C H5' . 34259 2 333 . 2 2 22 22 C H5'' H 1 4.039 0.001 . 2 . . . . A 22 C H5'' . 34259 2 334 . 2 2 22 22 C H6 H 1 7.650 0.003 . 1 . . . . A 22 C H6 . 34259 2 335 . 2 2 22 22 C H41 H 1 8.447 0.000 . 2 . . . . A 22 C H41 . 34259 2 336 . 2 2 22 22 C H42 H 1 6.749 0.000 . 2 . . . . A 22 C H42 . 34259 2 337 . 2 2 22 22 C C1' C 13 94.092 0.022 . 1 . . . . A 22 C C1' . 34259 2 338 . 2 2 22 22 C C2' C 13 75.647 0.010 . 1 . . . . A 22 C C2' . 34259 2 339 . 2 2 22 22 C C3' C 13 72.011 0.009 . 1 . . . . A 22 C C3' . 34259 2 340 . 2 2 22 22 C C4' C 13 81.983 0.004 . 1 . . . . A 22 C C4' . 34259 2 341 . 2 2 22 22 C C5 C 13 96.937 0.020 . 1 . . . . A 22 C C5 . 34259 2 342 . 2 2 22 22 C C5' C 13 64.416 0.004 . 1 . . . . A 22 C C5' . 34259 2 343 . 2 2 22 22 C C6 C 13 141.125 0.037 . 1 . . . . A 22 C C6 . 34259 2 344 . 2 2 22 22 C N4 N 15 98.955 0.024 . 1 . . . . A 22 C N4 . 34259 2 345 . 2 2 23 23 C H1' H 1 5.715 0.001 . 1 . . . . A 23 C H1' . 34259 2 346 . 2 2 23 23 C H2' H 1 3.902 0.001 . 1 . . . . A 23 C H2' . 34259 2 347 . 2 2 23 23 C H3' H 1 4.132 0.002 . 1 . . . . A 23 C H3' . 34259 2 348 . 2 2 23 23 C H4' H 1 4.136 0.003 . 1 . . . . A 23 C H4' . 34259 2 349 . 2 2 23 23 C H5 H 1 5.471 0.003 . 1 . . . . A 23 C H5 . 34259 2 350 . 2 2 23 23 C H5' H 1 4.450 0.002 . 2 . . . . A 23 C H5' . 34259 2 351 . 2 2 23 23 C H5'' H 1 4.013 0.001 . 2 . . . . A 23 C H5'' . 34259 2 352 . 2 2 23 23 C H6 H 1 7.609 0.002 . 1 . . . . A 23 C H6 . 34259 2 353 . 2 2 23 23 C H41 H 1 8.321 0.000 . 2 . . . . A 23 C H41 . 34259 2 354 . 2 2 23 23 C H42 H 1 6.910 0.000 . 2 . . . . A 23 C H42 . 34259 2 355 . 2 2 23 23 C C1' C 13 92.957 0.011 . 1 . . . . A 23 C C1' . 34259 2 356 . 2 2 23 23 C C2' C 13 77.612 0.009 . 1 . . . . A 23 C C2' . 34259 2 357 . 2 2 23 23 C C3' C 13 69.688 0.017 . 1 . . . . A 23 C C3' . 34259 2 358 . 2 2 23 23 C C4' C 13 83.494 0.012 . 1 . . . . A 23 C C4' . 34259 2 359 . 2 2 23 23 C C5 C 13 98.229 0.058 . 1 . . . . A 23 C C5 . 34259 2 360 . 2 2 23 23 C C5' C 13 65.137 0.010 . 1 . . . . A 23 C C5' . 34259 2 361 . 2 2 23 23 C C6 C 13 141.706 0.057 . 1 . . . . A 23 C C6 . 34259 2 362 . 2 2 23 23 C N4 N 15 97.345 0.049 . 1 . . . . A 23 C N4 . 34259 2 stop_ save_