################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25595 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 25595 1 2 '3D 1H-15N TOCSY' . . . 25595 1 3 '3D H(CCO)NH' . . . 25595 1 4 '3D HCCH-TOCSY' . . . 25595 1 5 '3D HNCACB' . . . 25595 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 25595 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.39 . . . . . . A 307 MET H1 . 25595 1 2 . 1 1 1 1 MET HA H 1 4.56 . . . . . . A 307 MET HA . 25595 1 3 . 1 1 1 1 MET HB2 H 1 2.09 . . . . . . A 307 MET HB3 . 25595 1 4 . 1 1 1 1 MET HB3 H 1 2.21 . . . . . . A 307 MET HB3 . 25595 1 5 . 1 1 1 1 MET HE1 H 1 2.68 . . . . . . A 307 MET HE1 . 25595 1 6 . 1 1 1 1 MET HE2 H 1 2.59 . . . . . . A 307 MET HE2 . 25595 1 7 . 1 1 1 1 MET HE3 H 1 2.59 . . . . . . A 307 MET HE3 . 25595 1 8 . 1 1 1 1 MET CA C 13 56.05 . . . . . . A 307 MET CA . 25595 1 9 . 1 1 1 1 MET CB C 13 33.04 . . . . . . A 307 MET CB . 25595 1 10 . 1 1 1 1 MET N N 15 120.26 . . . . . . A 307 MET N . 25595 1 11 . 1 1 2 2 GLY H H 1 8.43 . . . . . . A 308 GLY H . 25595 1 12 . 1 1 2 2 GLY HA2 H 1 4.05 . . . . . . A 308 GLY HA2 . 25595 1 13 . 1 1 2 2 GLY CA C 13 45.57 . . . . . . A 308 GLY CA . 25595 1 14 . 1 1 2 2 GLY N N 15 109.29 . . . . . . A 308 GLY N . 25595 1 15 . 1 1 3 3 GLY H H 1 8.31 . . . . . . A 309 GLY H . 25595 1 16 . 1 1 3 3 GLY HA2 H 1 4.05 . . . . . . A 309 GLY HA2 . 25595 1 17 . 1 1 3 3 GLY CA C 13 45.59 . . . . . . A 309 GLY CA . 25595 1 18 . 1 1 3 3 GLY N N 15 108.72 . . . . . . A 309 GLY N . 25595 1 19 . 1 1 4 4 GLY H H 1 7.98 . . . . . . A 310 GLY H . 25595 1 20 . 1 1 4 4 GLY HA2 H 1 3.99 . . . . . . A 310 GLY HA2 . 25595 1 21 . 1 1 4 4 GLY CA C 13 45.29 . . . . . . A 310 GLY CA . 25595 1 22 . 1 1 4 4 GLY N N 15 107.76 . . . . . . A 310 GLY N . 25595 1 23 . 1 1 5 5 MET H H 1 8.37 . . . . . . A 311 MET H . 25595 1 24 . 1 1 5 5 MET HA H 1 4.47 . . . . . . A 311 MET HA . 25595 1 25 . 1 1 5 5 MET HB2 H 1 1.97 . . . . . . A 311 MET HB2 . 25595 1 26 . 1 1 5 5 MET HE1 H 1 2.50 . . . . . . A 311 MET HE1 . 25595 1 27 . 1 1 5 5 MET HE2 H 1 2.50 . . . . . . A 311 MET HE2 . 25595 1 28 . 1 1 5 5 MET HE3 H 1 2.50 . . . . . . A 311 MET HE3 . 25595 1 29 . 1 1 5 5 MET CA C 13 55.56 . . . . . . A 311 MET CA . 25595 1 30 . 1 1 5 5 MET CB C 13 33.82 . . . . . . A 311 MET CB . 25595 1 31 . 1 1 5 5 MET N N 15 119.52 . . . . . . A 311 MET N . 25595 1 32 . 1 1 6 6 ASN H H 1 8.36 . . . . . . A 312 ASN H . 25595 1 33 . 1 1 6 6 ASN HA H 1 4.88 . . . . . . A 312 ASN HA . 25595 1 34 . 1 1 6 6 ASN HB2 H 1 2.75 . . . . . . A 312 ASN HB2 . 25595 1 35 . 1 1 6 6 ASN HB3 H 1 2.90 . . . . . . A 312 ASN HB3 . 25595 1 36 . 1 1 6 6 ASN CA C 13 52.90 . . . . . . A 312 ASN CA . 25595 1 37 . 1 1 6 6 ASN CB C 13 39.49 . . . . . . A 312 ASN CB . 25595 1 38 . 1 1 6 6 ASN N N 15 120.20 . . . . . . A 312 ASN N . 25595 1 39 . 1 1 7 7 PHE H H 1 8.54 . . . . . . A 313 PHE H . 25595 1 40 . 1 1 7 7 PHE HA H 1 4.62 . . . . . . A 313 PHE HA . 25595 1 41 . 1 1 7 7 PHE HB2 H 1 2.96 . . . . . . A 313 PHE HB2 . 25595 1 42 . 1 1 7 7 PHE HB3 H 1 3.27 . . . . . . A 313 PHE HB3 . 25595 1 43 . 1 1 7 7 PHE CA C 13 58.47 . . . . . . A 313 PHE CA . 25595 1 44 . 1 1 7 7 PHE CB C 13 39.65 . . . . . . A 313 PHE CB . 25595 1 45 . 1 1 7 7 PHE N N 15 121.51 . . . . . . A 313 PHE N . 25595 1 46 . 1 1 8 8 GLY H H 1 8.51 . . . . . . A 314 GLY H . 25595 1 47 . 1 1 8 8 GLY HA2 H 1 3.86 . . . . . . A 314 GLY HA2 . 25595 1 48 . 1 1 8 8 GLY HA3 H 1 4.00 . . . . . . A 314 GLY HA3 . 25595 1 49 . 1 1 8 8 GLY CA C 13 46.44 . . . . . . A 314 GLY CA . 25595 1 50 . 1 1 8 8 GLY N N 15 108.90 . . . . . . A 314 GLY N . 25595 1 51 . 1 1 9 9 ALA H H 1 8.13 . . . . . . A 315 ALA H . 25595 1 52 . 1 1 9 9 ALA HA H 1 4.34 . . . . . . A 315 ALA HA . 25595 1 53 . 1 1 9 9 ALA HB1 H 1 1.37 . . . . . . A 315 ALA HB1 . 25595 1 54 . 1 1 9 9 ALA HB2 H 1 1.37 . . . . . . A 315 ALA HB2 . 25595 1 55 . 1 1 9 9 ALA HB3 H 1 1.37 . . . . . . A 315 ALA HB3 . 25595 1 56 . 1 1 9 9 ALA CA C 13 52.77 . . . . . . A 315 ALA CA . 25595 1 57 . 1 1 9 9 ALA CB C 13 19.32 . . . . . . A 315 ALA CB . 25595 1 58 . 1 1 9 9 ALA N N 15 123.79 . . . . . . A 315 ALA N . 25595 1 59 . 1 1 10 10 PHE H H 1 7.82 . . . . . . A 316 PHE H . 25595 1 60 . 1 1 10 10 PHE HA H 1 4.71 . . . . . . A 316 PHE HA . 25595 1 61 . 1 1 10 10 PHE HB2 H 1 3.18 . . . . . . A 316 PHE HB2 . 25595 1 62 . 1 1 10 10 PHE HB3 H 1 3.24 . . . . . . A 316 PHE HB3 . 25595 1 63 . 1 1 10 10 PHE CA C 13 57.56 . . . . . . A 316 PHE CA . 25595 1 64 . 1 1 10 10 PHE CB C 13 40.27 . . . . . . A 316 PHE CB . 25595 1 65 . 1 1 10 10 PHE N N 15 116.81 . . . . . . A 316 PHE N . 25595 1 66 . 1 1 11 11 SER H H 1 8.13 . . . . . . A 317 SER H . 25595 1 67 . 1 1 11 11 SER HA H 1 4.73 . . . . . . A 317 SER HA . 25595 1 68 . 1 1 11 11 SER HB2 H 1 3.86 . . . . . . A 317 SER HB2 . 25595 1 69 . 1 1 11 11 SER CA C 13 57.76 . . . . . . A 317 SER CA . 25595 1 70 . 1 1 11 11 SER CB C 13 64.70 . . . . . . A 317 SER CB . 25595 1 71 . 1 1 11 11 SER N N 15 116.50 . . . . . . A 317 SER N . 25595 1 72 . 1 1 12 12 ILE H H 1 8.29 . . . . . . A 318 ILE H . 25595 1 73 . 1 1 12 12 ILE HA H 1 4.41 . . . . . . A 318 ILE HA . 25595 1 74 . 1 1 12 12 ILE HB H 1 1.97 . . . . . . A 318 ILE HB . 25595 1 75 . 1 1 12 12 ILE HG13 H 1 1.64 . . . . . . A 318 ILE HG13 . 25595 1 76 . 1 1 12 12 ILE HG21 H 1 1.27 . . . . . . A 318 ILE HG21 . 25595 1 77 . 1 1 12 12 ILE HG22 H 1 1.27 . . . . . . A 318 ILE HG22 . 25595 1 78 . 1 1 12 12 ILE HG23 H 1 1.27 . . . . . . A 318 ILE HG23 . 25595 1 79 . 1 1 12 12 ILE HD11 H 1 1.01 . . . . . . A 318 ILE HD11 . 25595 1 80 . 1 1 12 12 ILE HD12 H 1 1.01 . . . . . . A 318 ILE HD12 . 25595 1 81 . 1 1 12 12 ILE HD13 H 1 1.01 . . . . . . A 318 ILE HD13 . 25595 1 82 . 1 1 12 12 ILE CA C 13 60.37 . . . . . . A 318 ILE CA . 25595 1 83 . 1 1 12 12 ILE CB C 13 39.08 . . . . . . A 318 ILE CB . 25595 1 84 . 1 1 12 12 ILE CG1 C 13 27.72 . . . . . . A 318 ILE CG1 . 25595 1 85 . 1 1 12 12 ILE CG2 C 13 18.21 . . . . . . A 318 ILE CG2 . 25595 1 86 . 1 1 12 12 ILE CD1 C 13 13.38 . . . . . . A 318 ILE CD1 . 25595 1 87 . 1 1 12 12 ILE N N 15 121.18 . . . . . . A 318 ILE N . 25595 1 88 . 1 1 13 13 ASN H H 1 8.16 . . . . . . A 319 ASN H . 25595 1 89 . 1 1 13 13 ASN HA H 1 5.01 . . . . . . A 319 ASN HA . 25595 1 90 . 1 1 13 13 ASN HB2 H 1 2.85 . . . . . . A 319 ASN HB2 . 25595 1 91 . 1 1 13 13 ASN CA C 13 52.06 . . . . . . A 319 ASN CA . 25595 1 92 . 1 1 13 13 ASN CB C 13 38.99 . . . . . . A 319 ASN CB . 25595 1 93 . 1 1 13 13 ASN N N 15 124.88 . . . . . . A 319 ASN N . 25595 1 94 . 1 1 14 14 PRO CA C 13 65.96 . . . . . . A 320 PRO CA . 25595 1 95 . 1 1 14 14 PRO CB C 13 32.25 . . . . . . A 320 PRO CB . 25595 1 96 . 1 1 15 15 ALA H H 1 8.30 . . . . . . A 321 ALA H . 25595 1 97 . 1 1 15 15 ALA HA H 1 4.34 . . . . . . A 321 ALA HA . 25595 1 98 . 1 1 15 15 ALA HB1 H 1 1.56 . . . . . . A 321 ALA HB1 . 25595 1 99 . 1 1 15 15 ALA HB2 H 1 1.56 . . . . . . A 321 ALA HB2 . 25595 1 100 . 1 1 15 15 ALA HB3 H 1 1.56 . . . . . . A 321 ALA HB3 . 25595 1 101 . 1 1 15 15 ALA CA C 13 55.29 . . . . . . A 321 ALA CA . 25595 1 102 . 1 1 15 15 ALA CB C 13 18.34 . . . . . . A 321 ALA CB . 25595 1 103 . 1 1 15 15 ALA N N 15 121.04 . . . . . . A 321 ALA N . 25595 1 104 . 1 1 16 16 MET CA C 13 58.49 . . . . . . A 322 MET CA . 25595 1 105 . 1 1 16 16 MET CB C 13 33.03 . . . . . . A 322 MET CB . 25595 1 106 . 1 1 17 17 MET H H 1 7.91 . . . . . . A 323 MET H . 25595 1 107 . 1 1 17 17 MET HA H 1 4.25 . . . . . . A 323 MET HA . 25595 1 108 . 1 1 17 17 MET HB2 H 1 2.22 . . . . . . A 323 MET HB2 . 25595 1 109 . 1 1 17 17 MET HE1 H 1 2.68 . . . . . . A 323 MET HE1 . 25595 1 110 . 1 1 17 17 MET HE2 H 1 2.59 . . . . . . A 323 MET HE2 . 25595 1 111 . 1 1 17 17 MET HE3 H 1 2.59 . . . . . . A 323 MET HE3 . 25595 1 112 . 1 1 17 17 MET CA C 13 58.66 . . . . . . A 323 MET CA . 25595 1 113 . 1 1 17 17 MET CB C 13 32.29 . . . . . . A 323 MET CB . 25595 1 114 . 1 1 17 17 MET N N 15 117.80 . . . . . . A 323 MET N . 25595 1 115 . 1 1 18 18 ALA H H 1 8.18 . . . . . . A 324 ALA H . 25595 1 116 . 1 1 18 18 ALA HA H 1 4.23 . . . . . . A 324 ALA HA . 25595 1 117 . 1 1 18 18 ALA HB1 H 1 1.60 . . . . . . A 324 ALA HB1 . 25595 1 118 . 1 1 18 18 ALA HB2 H 1 1.60 . . . . . . A 324 ALA HB2 . 25595 1 119 . 1 1 18 18 ALA HB3 H 1 1.60 . . . . . . A 324 ALA HB3 . 25595 1 120 . 1 1 18 18 ALA CA C 13 55.14 . . . . . . A 324 ALA CA . 25595 1 121 . 1 1 18 18 ALA CB C 13 18.18 . . . . . . A 324 ALA CB . 25595 1 122 . 1 1 18 18 ALA N N 15 121.02 . . . . . . A 324 ALA N . 25595 1 123 . 1 1 19 19 ALA H H 1 8.15 . . . . . . A 325 ALA H . 25595 1 124 . 1 1 19 19 ALA HA H 1 4.25 . . . . . . A 325 ALA HA . 25595 1 125 . 1 1 19 19 ALA HB1 H 1 1.61 . . . . . . A 325 ALA HB1 . 25595 1 126 . 1 1 19 19 ALA HB2 H 1 1.61 . . . . . . A 325 ALA HB2 . 25595 1 127 . 1 1 19 19 ALA HB3 H 1 1.61 . . . . . . A 325 ALA HB3 . 25595 1 128 . 1 1 19 19 ALA CA C 13 55.12 . . . . . . A 325 ALA CA . 25595 1 129 . 1 1 19 19 ALA CB C 13 18.52 . . . . . . A 325 ALA CB . 25595 1 130 . 1 1 19 19 ALA N N 15 121.02 . . . . . . A 325 ALA N . 25595 1 131 . 1 1 20 20 ALA H H 1 8.34 . . . . . . A 326 ALA H . 25595 1 132 . 1 1 20 20 ALA HA H 1 4.11 . . . . . . A 326 ALA HA . 25595 1 133 . 1 1 20 20 ALA HB1 H 1 1.60 . . . . . . A 326 ALA HB1 . 25595 1 134 . 1 1 20 20 ALA HB2 H 1 1.60 . . . . . . A 326 ALA HB2 . 25595 1 135 . 1 1 20 20 ALA HB3 H 1 1.60 . . . . . . A 326 ALA HB3 . 25595 1 136 . 1 1 20 20 ALA CA C 13 56.14 . . . . . . A 326 ALA CA . 25595 1 137 . 1 1 20 20 ALA CB C 13 18.45 . . . . . . A 326 ALA CB . 25595 1 138 . 1 1 20 20 ALA N N 15 120.87 . . . . . . A 326 ALA N . 25595 1 139 . 1 1 21 21 GLN H H 1 8.38 . . . . . . A 327 GLN H . 25595 1 140 . 1 1 21 21 GLN HA H 1 3.95 . . . . . . A 327 GLN HA . 25595 1 141 . 1 1 21 21 GLN HB2 H 1 2.26 . . . . . . A 327 GLN HB2 . 25595 1 142 . 1 1 21 21 GLN HB3 H 1 2.37 . . . . . . A 327 GLN HB3 . 25595 1 143 . 1 1 21 21 GLN HG2 H 1 2.51 . . . . . . A 327 GLN HG2 . 25595 1 144 . 1 1 21 21 GLN CA C 13 60.00 . . . . . . A 327 GLN CA . 25595 1 145 . 1 1 21 21 GLN CB C 13 28.82 . . . . . . A 327 GLN CB . 25595 1 146 . 1 1 21 21 GLN N N 15 116.50 . . . . . . A 327 GLN N . 25595 1 147 . 1 1 22 22 ALA H H 1 8.02 . . . . . . A 328 ALA H . 25595 1 148 . 1 1 22 22 ALA HA H 1 4.28 . . . . . . A 328 ALA HA . 25595 1 149 . 1 1 22 22 ALA HB1 H 1 1.62 . . . . . . A 328 ALA HB1 . 25595 1 150 . 1 1 22 22 ALA HB2 H 1 1.62 . . . . . . A 328 ALA HB2 . 25595 1 151 . 1 1 22 22 ALA HB3 H 1 1.62 . . . . . . A 328 ALA HB3 . 25595 1 152 . 1 1 22 22 ALA CA C 13 55.12 . . . . . . A 328 ALA CA . 25595 1 153 . 1 1 22 22 ALA CB C 13 18.21 . . . . . . A 328 ALA CB . 25595 1 154 . 1 1 22 22 ALA N N 15 120.80 . . . . . . A 328 ALA N . 25595 1 155 . 1 1 23 23 ALA H H 1 7.92 . . . . . . A 329 ALA H . 25595 1 156 . 1 1 23 23 ALA HA H 1 4.30 . . . . . . A 329 ALA HA . 25595 1 157 . 1 1 23 23 ALA HB1 H 1 1.65 . . . . . . A 329 ALA HB1 . 25595 1 158 . 1 1 23 23 ALA HB2 H 1 1.65 . . . . . . A 329 ALA HB2 . 25595 1 159 . 1 1 23 23 ALA HB3 H 1 1.65 . . . . . . A 329 ALA HB3 . 25595 1 160 . 1 1 23 23 ALA CA C 13 55.10 . . . . . . A 329 ALA CA . 25595 1 161 . 1 1 23 23 ALA CB C 13 18.53 . . . . . . A 329 ALA CB . 25595 1 162 . 1 1 23 23 ALA N N 15 121.62 . . . . . . A 329 ALA N . 25595 1 163 . 1 1 24 24 LEU H H 1 8.24 . . . . . . A 330 LEU H . 25595 1 164 . 1 1 24 24 LEU HA H 1 4.26 . . . . . . A 330 LEU HA . 25595 1 165 . 1 1 24 24 LEU HB2 H 1 1.74 . . . . . . A 330 LEU HB2 . 25595 1 166 . 1 1 24 24 LEU HB3 H 1 1.91 . . . . . . A 330 LEU HB3 . 25595 1 167 . 1 1 24 24 LEU HG H 1 1.62 . . . . . . A 330 LEU HG . 25595 1 168 . 1 1 24 24 LEU HD11 H 1 0.97 . . . . . . A 330 LEU HD11 . 25595 1 169 . 1 1 24 24 LEU HD12 H 1 0.97 . . . . . . A 330 LEU HD12 . 25595 1 170 . 1 1 24 24 LEU HD13 H 1 0.97 . . . . . . A 330 LEU HD13 . 25595 1 171 . 1 1 24 24 LEU CA C 13 57.80 . . . . . . A 330 LEU CA . 25595 1 172 . 1 1 24 24 LEU CB C 13 42.06 . . . . . . A 330 LEU CB . 25595 1 173 . 1 1 24 24 LEU N N 15 118.68 . . . . . . A 330 LEU N . 25595 1 174 . 1 1 25 25 GLN H H 1 8.16 . . . . . . A 331 GLN H . 25595 1 175 . 1 1 25 25 GLN HA H 1 4.17 . . . . . . A 331 GLN HA . 25595 1 176 . 1 1 25 25 GLN HB2 H 1 2.28 . . . . . . A 331 GLN HB2 . 25595 1 177 . 1 1 25 25 GLN HG2 H 1 2.61 . . . . . . A 331 GLN HG2 . 25595 1 178 . 1 1 25 25 GLN HG3 H 1 2.52 . . . . . . A 331 GLN HG3 . 25595 1 179 . 1 1 25 25 GLN CA C 13 58.82 . . . . . . A 331 GLN CA . 25595 1 180 . 1 1 25 25 GLN CB C 13 28.84 . . . . . . A 331 GLN CB . 25595 1 181 . 1 1 25 25 GLN N N 15 117.20 . . . . . . A 331 GLN N . 25595 1 182 . 1 1 26 26 SER H H 1 8.12 . . . . . . A 332 SER H . 25595 1 183 . 1 1 26 26 SER HA H 1 4.52 . . . . . . A 332 SER HA . 25595 1 184 . 1 1 26 26 SER HB2 H 1 4.07 . . . . . . A 332 SER HB2 . 25595 1 185 . 1 1 26 26 SER CA C 13 60.65 . . . . . . A 332 SER CA . 25595 1 186 . 1 1 26 26 SER CB C 13 63.81 . . . . . . A 332 SER CB . 25595 1 187 . 1 1 26 26 SER N N 15 113.99 . . . . . . A 332 SER N . 25595 1 188 . 1 1 27 27 SER H H 1 8.13 . . . . . . A 333 SER H . 25595 1 189 . 1 1 27 27 SER HA H 1 4.46 . . . . . . A 333 SER HA . 25595 1 190 . 1 1 27 27 SER HB2 H 1 3.98 . . . . . . A 333 SER HB2 . 25595 1 191 . 1 1 27 27 SER HB3 H 1 3.98 . . . . . . A 333 SER HB3 . 25595 1 192 . 1 1 27 27 SER CA C 13 61.10 . . . . . . A 333 SER CA . 25595 1 193 . 1 1 27 27 SER CB C 13 63.84 . . . . . . A 333 SER CB . 25595 1 194 . 1 1 27 27 SER N N 15 116.99 . . . . . . A 333 SER N . 25595 1 195 . 1 1 28 28 TRP H H 1 8.16 . . . . . . A 334 TRP H . 25595 1 196 . 1 1 28 28 TRP HA H 1 4.58 . . . . . . A 334 TRP HA . 25595 1 197 . 1 1 28 28 TRP HB2 H 1 3.44 . . . . . . A 334 TRP HB2 . 25595 1 198 . 1 1 28 28 TRP CA C 13 59.45 . . . . . . A 334 TRP CA . 25595 1 199 . 1 1 28 28 TRP CB C 13 29.90 . . . . . . A 334 TRP CB . 25595 1 200 . 1 1 28 28 TRP N N 15 122.55 . . . . . . A 334 TRP N . 25595 1 201 . 1 1 29 29 GLY H H 1 8.40 . . . . . . A 335 GLY H . 25595 1 202 . 1 1 29 29 GLY HA2 H 1 4.00 . . . . . . A 335 GLY HA2 . 25595 1 203 . 1 1 29 29 GLY HA3 H 1 4.05 . . . . . . A 335 GLY HA3 . 25595 1 204 . 1 1 29 29 GLY CA C 13 46.79 . . . . . . A 335 GLY CA . 25595 1 205 . 1 1 29 29 GLY N N 15 126.52 . . . . . . A 335 GLY N . 25595 1 206 . 1 1 30 30 MET H H 1 8.08 . . . . . . A 336 MET H . 25595 1 207 . 1 1 30 30 MET HA H 1 4.41 . . . . . . A 336 MET HA . 25595 1 208 . 1 1 30 30 MET HB2 H 1 2.20 . . . . . . A 336 MET HB2 . 25595 1 209 . 1 1 30 30 MET HE1 H 1 2.68 . . . . . . A 336 MET HE1 . 25595 1 210 . 1 1 30 30 MET HE2 H 1 2.63 . . . . . . A 336 MET HE2 . 25595 1 211 . 1 1 30 30 MET HE3 H 1 2.63 . . . . . . A 336 MET HE3 . 25595 1 212 . 1 1 30 30 MET CA C 13 57.38 . . . . . . A 336 MET CA . 25595 1 213 . 1 1 30 30 MET CB C 13 32.96 . . . . . . A 336 MET CB . 25595 1 214 . 1 1 30 30 MET N N 15 119.78 . . . . . . A 336 MET N . 25595 1 215 . 1 1 31 31 MET H H 1 8.12 . . . . . . A 337 MET H . 25595 1 216 . 1 1 31 31 MET HA H 1 4.30 . . . . . . A 337 MET HA . 25595 1 217 . 1 1 31 31 MET HB2 H 1 2.13 . . . . . . A 337 MET HB2 . 25595 1 218 . 1 1 31 31 MET HB3 H 1 2.11 . . . . . . A 337 MET HB2 . 25595 1 219 . 1 1 31 31 MET HE1 H 1 2.66 . . . . . . A 337 MET HE1 . 25595 1 220 . 1 1 31 31 MET HE2 H 1 2.57 . . . . . . A 337 MET HE2 . 25595 1 221 . 1 1 31 31 MET HE3 H 1 2.57 . . . . . . A 337 MET HE3 . 25595 1 222 . 1 1 31 31 MET CA C 13 57.66 . . . . . . A 337 MET CA . 25595 1 223 . 1 1 31 31 MET CB C 13 32.52 . . . . . . A 337 MET CB . 25595 1 224 . 1 1 31 31 MET N N 15 117.51 . . . . . . A 337 MET N . 25595 1 225 . 1 1 32 32 GLY H H 1 8.18 . . . . . . A 338 GLY H . 25595 1 226 . 1 1 32 32 GLY HA2 H 1 3.90 . . . . . . A 338 GLY HA2 . 25595 1 227 . 1 1 32 32 GLY CA C 13 46.54 . . . . . . A 338 GLY CA . 25595 1 228 . 1 1 32 32 GLY N N 15 126.46 . . . . . . A 338 GLY N . 25595 1 229 . 1 1 33 33 MET H H 1 7.91 . . . . . . A 339 MET H . 25595 1 230 . 1 1 33 33 MET HA H 1 4.41 . . . . . . A 339 MET HA . 25595 1 231 . 1 1 33 33 MET HB2 H 1 2.19 . . . . . . A 339 MET HB2 . 25595 1 232 . 1 1 33 33 MET HE1 H 1 2.70 . . . . . . A 339 MET HE1 . 25595 1 233 . 1 1 33 33 MET HE2 H 1 2.62 . . . . . . A 339 MET HE2 . 25595 1 234 . 1 1 33 33 MET HE3 H 1 2.62 . . . . . . A 339 MET HE3 . 25595 1 235 . 1 1 33 33 MET CA C 13 57.30 . . . . . . A 339 MET CA . 25595 1 236 . 1 1 33 33 MET CB C 13 32.54 . . . . . . A 339 MET CB . 25595 1 237 . 1 1 33 33 MET N N 15 119.21 . . . . . . A 339 MET N . 25595 1 238 . 1 1 34 34 LEU H H 1 7.96 . . . . . . A 340 LEU H . 25595 1 239 . 1 1 34 34 LEU HA H 1 4.32 . . . . . . A 340 LEU HA . 25595 1 240 . 1 1 34 34 LEU HB2 H 1 1.85 . . . . . . A 340 LEU HB2 . 25595 1 241 . 1 1 34 34 LEU HG H 1 1.69 . . . . . . A 340 LEU HG . 25595 1 242 . 1 1 34 34 LEU HD11 H 1 0.97 . . . . . . A 340 LEU HD11 . 25595 1 243 . 1 1 34 34 LEU HD12 H 1 0.97 . . . . . . A 340 LEU HD12 . 25595 1 244 . 1 1 34 34 LEU HD13 H 1 0.97 . . . . . . A 340 LEU HD13 . 25595 1 245 . 1 1 34 34 LEU HD21 H 1 1.02 . . . . . . A 340 LEU HD21 . 25595 1 246 . 1 1 34 34 LEU HD22 H 1 1.02 . . . . . . A 340 LEU HD22 . 25595 1 247 . 1 1 34 34 LEU HD23 H 1 1.02 . . . . . . A 340 LEU HD23 . 25595 1 248 . 1 1 34 34 LEU CA C 13 56.23 . . . . . . A 340 LEU CA . 25595 1 249 . 1 1 34 34 LEU CB C 13 42.42 . . . . . . A 340 LEU CB . 25595 1 250 . 1 1 34 34 LEU N N 15 119.45 . . . . . . A 340 LEU N . 25595 1 251 . 1 1 35 35 ALA H H 1 7.98 . . . . . . A 341 ALA H . 25595 1 252 . 1 1 35 35 ALA HA H 1 4.37 . . . . . . A 341 ALA HA . 25595 1 253 . 1 1 35 35 ALA HB1 H 1 1.50 . . . . . . A 341 ALA HB1 . 25595 1 254 . 1 1 35 35 ALA HB2 H 1 1.50 . . . . . . A 341 ALA HB2 . 25595 1 255 . 1 1 35 35 ALA HB3 H 1 1.50 . . . . . . A 341 ALA HB3 . 25595 1 256 . 1 1 35 35 ALA CA C 13 53.10 . . . . . . A 341 ALA CA . 25595 1 257 . 1 1 35 35 ALA CB C 13 19.46 . . . . . . A 341 ALA CB . 25595 1 258 . 1 1 35 35 ALA N N 15 121.25 . . . . . . A 341 ALA N . 25595 1 259 . 1 1 36 36 SER H H 1 8.05 . . . . . . A 342 SER H . 25595 1 260 . 1 1 36 36 SER HA H 1 4.47 . . . . . . A 342 SER HA . 25595 1 261 . 1 1 36 36 SER HB2 H 1 3.99 . . . . . . A 342 SER HB2 . 25595 1 262 . 1 1 36 36 SER CA C 13 59.15 . . . . . . A 342 SER CA . 25595 1 263 . 1 1 36 36 SER CB C 13 64.02 . . . . . . A 342 SER CB . 25595 1 264 . 1 1 36 36 SER N N 15 113.59 . . . . . . A 342 SER N . 25595 1 265 . 1 1 37 37 GLN H H 1 8.28 . . . . . . A 343 GLN H . 25595 1 266 . 1 1 37 37 GLN HA H 1 4.40 . . . . . . A 343 GLN HA . 25595 1 267 . 1 1 37 37 GLN HB2 H 1 2.09 . . . . . . A 343 GLN HB2 . 25595 1 268 . 1 1 37 37 GLN HB3 H 1 2.24 . . . . . . A 343 GLN HB3 . 25595 1 269 . 1 1 37 37 GLN HG2 H 1 2.46 . . . . . . A 343 GLN HG2 . 25595 1 270 . 1 1 37 37 GLN CA C 13 56.36 . . . . . . A 343 GLN CA . 25595 1 271 . 1 1 37 37 GLN CB C 13 29.45 . . . . . . A 343 GLN CB . 25595 1 272 . 1 1 37 37 GLN N N 15 121.24 . . . . . . A 343 GLN N . 25595 1 273 . 1 1 38 38 GLN H H 1 8.29 . . . . . . A 344 GLN H . 25595 1 274 . 1 1 38 38 GLN HA H 1 4.40 . . . . . . A 344 GLN HA . 25595 1 275 . 1 1 38 38 GLN HB2 H 1 2.07 . . . . . . A 344 GLN HB2 . 25595 1 276 . 1 1 38 38 GLN HB3 H 1 2.20 . . . . . . A 344 GLN HB3 . 25595 1 277 . 1 1 38 38 GLN HG2 H 1 2.44 . . . . . . A 344 GLN HG2 . 25595 1 278 . 1 1 38 38 GLN CA C 13 56.37 . . . . . . A 344 GLN CA . 25595 1 279 . 1 1 38 38 GLN CB C 13 29.46 . . . . . . A 344 GLN CB . 25595 1 280 . 1 1 38 38 GLN N N 15 120.20 . . . . . . A 344 GLN N . 25595 1 281 . 1 1 39 39 ASN H H 1 8.43 . . . . . . A 345 ASN H . 25595 1 282 . 1 1 39 39 ASN HA H 1 4.78 . . . . . . A 345 ASN HA . 25595 1 283 . 1 1 39 39 ASN HB2 H 1 2.81 . . . . . . A 345 ASN HB2 . 25595 1 284 . 1 1 39 39 ASN HB3 H 1 2.88 . . . . . . A 345 ASN HB3 . 25595 1 285 . 1 1 39 39 ASN CA C 13 53.66 . . . . . . A 345 ASN CA . 25595 1 286 . 1 1 39 39 ASN CB C 13 38.97 . . . . . . A 345 ASN CB . 25595 1 287 . 1 1 39 39 ASN N N 15 119.01 . . . . . . A 345 ASN N . 25595 1 288 . 1 1 40 40 GLN H H 1 8.37 . . . . . . A 346 GLN H . 25595 1 289 . 1 1 40 40 GLN HA H 1 4.48 . . . . . . A 346 GLN HA . 25595 1 290 . 1 1 40 40 GLN HB2 H 1 2.07 . . . . . . A 346 GLN HB2 . 25595 1 291 . 1 1 40 40 GLN HB3 H 1 2.24 . . . . . . A 346 GLN HB3 . 25595 1 292 . 1 1 40 40 GLN HG2 H 1 2.44 . . . . . . A 346 GLN HG2 . 25595 1 293 . 1 1 40 40 GLN CA C 13 56.11 . . . . . . A 346 GLN CA . 25595 1 294 . 1 1 40 40 GLN CB C 13 29.55 . . . . . . A 346 GLN CB . 25595 1 295 . 1 1 40 40 GLN N N 15 120.68 . . . . . . A 346 GLN N . 25595 1 296 . 1 1 41 41 SER H H 1 8.35 . . . . . . A 347 SER H . 25595 1 297 . 1 1 41 41 SER HA H 1 4.58 . . . . . . A 347 SER HA . 25595 1 298 . 1 1 41 41 SER HB2 H 1 3.96 . . . . . . A 347 SER HB2 . 25595 1 299 . 1 1 41 41 SER CA C 13 58.70 . . . . . . A 347 SER CA . 25595 1 300 . 1 1 41 41 SER CB C 13 64.28 . . . . . . A 347 SER CB . 25595 1 301 . 1 1 41 41 SER N N 15 116.65 . . . . . . A 347 SER N . 25595 1 302 . 1 1 42 42 GLY H H 1 8.22 . . . . . . A 348 GLY H . 25595 1 303 . 1 1 42 42 GLY HA2 H 1 4.18 . . . . . . A 348 GLY HA2 . 25595 1 304 . 1 1 42 42 GLY HA3 H 1 4.24 . . . . . . A 348 GLY HA3 . 25595 1 305 . 1 1 42 42 GLY CA C 13 44.93 . . . . . . A 348 GLY CA . 25595 1 306 . 1 1 42 42 GLY N N 15 110.40 . . . . . . A 348 GLY N . 25595 1 307 . 1 1 43 43 PRO HA H 1 4.55 . . . . . . A 349 PRO HA . 25595 1 308 . 1 1 43 43 PRO HB3 H 1 2.06 . . . . . . A 349 PRO HB3 . 25595 1 309 . 1 1 43 43 PRO CA C 13 63.63 . . . . . . A 349 PRO CA . 25595 1 310 . 1 1 43 43 PRO CB C 13 32.27 . . . . . . A 349 PRO CB . 25595 1 311 . 1 1 43 43 PRO CG C 13 27.286 . . . . . . A 349 PRO CG . 25595 1 312 . 1 1 43 43 PRO CD C 13 49.97 . . . . . . A 349 PRO CD . 25595 1 stop_ save_