################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6566 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' 1 $sample_1 isotropic 6566 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 6566 1 3 '3D H(CCO)NH' 1 $sample_1 isotropic 6566 1 4 '3D C(CO)NH' 1 $sample_1 isotropic 6566 1 5 '2D 1H-15N HSQC' 1 $sample_1 isotropic 6566 1 6 '3D 15N-edited NOESY' 1 $sample_1 isotropic 6566 1 8 '3D HNHA' 1 $sample_1 isotropic 6566 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 $NMRPipe . . 6566 1 2 $Sparky . . 6566 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 2 2 THR HA H 1 4.495 . . 1 . . . . 476 THR HA . 6566 1 2 . 1 1 2 2 THR HB H 1 4.273 . . 1 . . . . 476 THR HB . 6566 1 3 . 1 1 2 2 THR HG21 H 1 1.232 . . 1 . . . . 476 THR HG2 . 6566 1 4 . 1 1 2 2 THR HG22 H 1 1.232 . . 1 . . . . 476 THR HG2 . 6566 1 5 . 1 1 2 2 THR HG23 H 1 1.232 . . 1 . . . . 476 THR HG2 . 6566 1 6 . 1 1 2 2 THR CA C 13 61.899 . . 1 . . . . 476 THR CA . 6566 1 7 . 1 1 2 2 THR CB C 13 69.939 . . 1 . . . . 476 THR CB . 6566 1 8 . 1 1 2 2 THR CG2 C 13 21.703 . . 1 . . . . 476 THR CG2 . 6566 1 9 . 1 1 3 3 THR H H 1 8.326 . . 1 . . . . 477 THR H . 6566 1 10 . 1 1 3 3 THR HA H 1 4.374 . . 1 . . . . 477 THR HA . 6566 1 11 . 1 1 3 3 THR HB H 1 4.251 . . 1 . . . . 477 THR HB . 6566 1 12 . 1 1 3 3 THR HG21 H 1 1.234 . . 1 . . . . 477 THR HG2 . 6566 1 13 . 1 1 3 3 THR HG22 H 1 1.234 . . 1 . . . . 477 THR HG2 . 6566 1 14 . 1 1 3 3 THR HG23 H 1 1.234 . . 1 . . . . 477 THR HG2 . 6566 1 15 . 1 1 3 3 THR CA C 13 61.923 . . 1 . . . . 477 THR CA . 6566 1 16 . 1 1 3 3 THR CG2 C 13 21.862 . . 1 . . . . 477 THR CG2 . 6566 1 17 . 1 1 3 3 THR N N 15 116.929 . . 1 . . . . 477 THR N . 6566 1 18 . 1 1 4 4 ALA H H 1 8.513 . . 1 . . . . 478 ALA H . 6566 1 19 . 1 1 4 4 ALA HA H 1 4.393 . . 1 . . . . 478 ALA HA . 6566 1 20 . 1 1 4 4 ALA HB1 H 1 1.421 . . 1 . . . . 478 ALA HB . 6566 1 21 . 1 1 4 4 ALA HB2 H 1 1.421 . . 1 . . . . 478 ALA HB . 6566 1 22 . 1 1 4 4 ALA HB3 H 1 1.421 . . 1 . . . . 478 ALA HB . 6566 1 23 . 1 1 4 4 ALA CA C 13 52.831 . . 1 . . . . 478 ALA CA . 6566 1 24 . 1 1 4 4 ALA CB C 13 19.347 . . 1 . . . . 478 ALA CB . 6566 1 25 . 1 1 4 4 ALA N N 15 126.917 . . 1 . . . . 478 ALA N . 6566 1 26 . 1 1 5 5 THR H H 1 8.170 . . 1 . . . . 479 THR H . 6566 1 27 . 1 1 5 5 THR HA H 1 4.362 . . 1 . . . . 479 THR HA . 6566 1 28 . 1 1 5 5 THR HB H 1 4.242 . . 1 . . . . 479 THR HB . 6566 1 29 . 1 1 5 5 THR HG21 H 1 1.216 . . 1 . . . . 479 THR HG2 . 6566 1 30 . 1 1 5 5 THR HG22 H 1 1.216 . . 1 . . . . 479 THR HG2 . 6566 1 31 . 1 1 5 5 THR HG23 H 1 1.216 . . 1 . . . . 479 THR HG2 . 6566 1 32 . 1 1 5 5 THR CA C 13 62.002 . . 1 . . . . 479 THR CA . 6566 1 33 . 1 1 5 5 THR CB C 13 69.785 . . 1 . . . . 479 THR CB . 6566 1 34 . 1 1 5 5 THR CG2 C 13 21.836 . . 1 . . . . 479 THR CG2 . 6566 1 35 . 1 1 5 5 THR N N 15 113.365 . . 1 . . . . 479 THR N . 6566 1 36 . 1 1 6 6 GLU H H 1 8.434 . . 1 . . . . 480 GLU H . 6566 1 37 . 1 1 6 6 GLU HA H 1 4.335 . . 1 . . . . 480 GLU HA . 6566 1 38 . 1 1 6 6 GLU HB2 H 1 2.101 . . 2 . . . . 480 GLU HB2 . 6566 1 39 . 1 1 6 6 GLU HB3 H 1 1.977 . . 2 . . . . 480 GLU HB3 . 6566 1 40 . 1 1 6 6 GLU HG2 H 1 2.290 . . 1 . . . . 480 GLU HG2 . 6566 1 41 . 1 1 6 6 GLU HG3 H 1 2.290 . . 1 . . . . 480 GLU HG3 . 6566 1 42 . 1 1 6 6 GLU CA C 13 56.763 . . 1 . . . . 480 GLU CA . 6566 1 43 . 1 1 6 6 GLU CB C 13 30.311 . . 1 . . . . 480 GLU CB . 6566 1 44 . 1 1 6 6 GLU CG C 13 36.253 . . 1 . . . . 480 GLU CG . 6566 1 45 . 1 1 6 6 GLU N N 15 123.318 . . 1 . . . . 480 GLU N . 6566 1 46 . 1 1 7 7 SER H H 1 8.412 . . 1 . . . . 481 SER H . 6566 1 47 . 1 1 7 7 SER HA H 1 4.508 . . 1 . . . . 481 SER HA . 6566 1 48 . 1 1 7 7 SER HB2 H 1 3.885 . . 1 . . . . 481 SER HB2 . 6566 1 49 . 1 1 7 7 SER HB3 H 1 3.885 . . 1 . . . . 481 SER HB3 . 6566 1 50 . 1 1 7 7 SER CA C 13 58.418 . . 1 . . . . 481 SER CA . 6566 1 51 . 1 1 7 7 SER CB C 13 63.878 . . 1 . . . . 481 SER CB . 6566 1 52 . 1 1 7 7 SER N N 15 116.935 . . 1 . . . . 481 SER N . 6566 1 53 . 1 1 8 8 SER H H 1 8.381 . . 1 . . . . 482 SER H . 6566 1 54 . 1 1 8 8 SER HA H 1 4.475 . . 1 . . . . 482 SER HA . 6566 1 55 . 1 1 8 8 SER HB2 H 1 3.887 . . 1 . . . . 482 SER HB2 . 6566 1 56 . 1 1 8 8 SER HB3 H 1 3.887 . . 1 . . . . 482 SER HB3 . 6566 1 57 . 1 1 8 8 SER CA C 13 58.490 . . 1 . . . . 482 SER CA . 6566 1 58 . 1 1 8 8 SER CB C 13 63.810 . . 1 . . . . 482 SER CB . 6566 1 59 . 1 1 8 8 SER N N 15 117.849 . . 1 . . . . 482 SER N . 6566 1 60 . 1 1 9 9 GLN H H 1 8.386 . . 1 . . . . 483 GLN H . 6566 1 61 . 1 1 9 9 GLN HA H 1 4.361 . . 1 . . . . 483 GLN HA . 6566 1 62 . 1 1 9 9 GLN HB2 H 1 2.133 . . 2 . . . . 483 GLN HB2 . 6566 1 63 . 1 1 9 9 GLN HB3 H 1 1.945 . . 2 . . . . 483 GLN HB3 . 6566 1 64 . 1 1 9 9 GLN HG2 H 1 2.343 . . 1 . . . . 483 GLN HG2 . 6566 1 65 . 1 1 9 9 GLN HG3 H 1 2.343 . . 1 . . . . 483 GLN HG3 . 6566 1 66 . 1 1 9 9 GLN CA C 13 55.565 . . 1 . . . . 483 GLN CA . 6566 1 67 . 1 1 9 9 GLN CB C 13 29.715 . . 1 . . . . 483 GLN CB . 6566 1 68 . 1 1 9 9 GLN CG C 13 33.985 . . 1 . . . . 483 GLN CG . 6566 1 69 . 1 1 9 9 GLN N N 15 121.928 . . 1 . . . . 483 GLN N . 6566 1 70 . 1 1 10 10 ASP H H 1 8.447 . . 1 . . . . 484 ASP H . 6566 1 71 . 1 1 10 10 ASP HA H 1 4.872 . . 1 . . . . 484 ASP HA . 6566 1 72 . 1 1 10 10 ASP HB2 H 1 2.557 . . 2 . . . . 484 ASP HB2 . 6566 1 73 . 1 1 10 10 ASP HB3 H 1 2.764 . . 2 . . . . 484 ASP HB3 . 6566 1 74 . 1 1 10 10 ASP CA C 13 52.481 . . 1 . . . . 484 ASP CA . 6566 1 75 . 1 1 10 10 ASP CB C 13 41.139 . . 1 . . . . 484 ASP CB . 6566 1 76 . 1 1 10 10 ASP N N 15 123.463 . . 1 . . . . 484 ASP N . 6566 1 77 . 1 1 11 11 PRO HA H 1 4.418 . . 1 . . . . 485 PRO HA . 6566 1 78 . 1 1 11 11 PRO HB2 H 1 2.336 . . 1 . . . . 485 PRO HB2 . 6566 1 79 . 1 1 11 11 PRO HB3 H 1 2.336 . . 1 . . . . 485 PRO HB3 . 6566 1 80 . 1 1 11 11 PRO HG2 H 1 2.056 . . 2 . . . . 485 PRO HG2 . 6566 1 81 . 1 1 11 11 PRO HG3 H 1 1.968 . . 2 . . . . 485 PRO HG3 . 6566 1 82 . 1 1 11 11 PRO HD2 H 1 3.777 . . 2 . . . . 485 PRO HD2 . 6566 1 83 . 1 1 11 11 PRO HD3 H 1 3.885 . . 2 . . . . 485 PRO HD3 . 6566 1 84 . 1 1 11 11 PRO CA C 13 63.802 . . 1 . . . . 485 PRO CA . 6566 1 85 . 1 1 11 11 PRO CB C 13 32.202 . . 1 . . . . 485 PRO CB . 6566 1 86 . 1 1 11 11 PRO CG C 13 27.515 . . 1 . . . . 485 PRO CG . 6566 1 87 . 1 1 11 11 PRO CD C 13 57.090 . . 1 . . . . 485 PRO CD . 6566 1 88 . 1 1 12 12 GLN H H 1 8.610 . . 1 . . . . 486 GLN H . 6566 1 89 . 1 1 12 12 GLN HA H 1 4.251 . . 1 . . . . 486 GLN HA . 6566 1 90 . 1 1 12 12 GLN HB2 H 1 2.151 . . 2 . . . . 486 GLN HB2 . 6566 1 91 . 1 1 12 12 GLN HB3 H 1 2.022 . . 2 . . . . 486 GLN HB3 . 6566 1 92 . 1 1 12 12 GLN HG2 H 1 2.367 . . 1 . . . . 486 GLN HG2 . 6566 1 93 . 1 1 12 12 GLN HG3 H 1 2.367 . . 1 . . . . 486 GLN HG3 . 6566 1 94 . 1 1 12 12 GLN CA C 13 56.375 . . 1 . . . . 486 GLN CA . 6566 1 95 . 1 1 12 12 GLN CB C 13 29.088 . . 1 . . . . 486 GLN CB . 6566 1 96 . 1 1 12 12 GLN CG C 13 34.103 . . 1 . . . . 486 GLN CG . 6566 1 97 . 1 1 12 12 GLN N N 15 119.171 . . 1 . . . . 486 GLN N . 6566 1 98 . 1 1 13 13 ASP H H 1 8.208 . . 1 . . . . 487 ASP H . 6566 1 99 . 1 1 13 13 ASP HA H 1 4.590 . . 1 . . . . 487 ASP HA . 6566 1 100 . 1 1 13 13 ASP HB2 H 1 2.755 . . 1 . . . . 487 ASP HB2 . 6566 1 101 . 1 1 13 13 ASP HB3 H 1 2.755 . . 1 . . . . 487 ASP HB3 . 6566 1 102 . 1 1 13 13 ASP CA C 13 54.955 . . 1 . . . . 487 ASP CA . 6566 1 103 . 1 1 13 13 ASP CB C 13 41.224 . . 1 . . . . 487 ASP CB . 6566 1 104 . 1 1 13 13 ASP N N 15 120.892 . . 1 . . . . 487 ASP N . 6566 1 105 . 1 1 14 14 SER H H 1 8.339 . . 1 . . . . 488 SER H . 6566 1 106 . 1 1 14 14 SER HA H 1 4.363 . . 1 . . . . 488 SER HA . 6566 1 107 . 1 1 14 14 SER HB2 H 1 3.927 . . 1 . . . . 488 SER HB2 . 6566 1 108 . 1 1 14 14 SER HB3 H 1 3.927 . . 1 . . . . 488 SER HB3 . 6566 1 109 . 1 1 14 14 SER CA C 13 59.564 . . 1 . . . . 488 SER CA . 6566 1 110 . 1 1 14 14 SER CB C 13 63.411 . . 1 . . . . 488 SER CB . 6566 1 111 . 1 1 14 14 SER N N 15 117.200 . . 1 . . . . 488 SER N . 6566 1 112 . 1 1 15 15 ARG H H 1 8.251 . . 1 . . . . 489 ARG H . 6566 1 113 . 1 1 15 15 ARG HA H 1 4.299 . . 1 . . . . 489 ARG HA . 6566 1 114 . 1 1 15 15 ARG HB2 H 1 1.886 . . 1 . . . . 489 ARG HB2 . 6566 1 115 . 1 1 15 15 ARG HB3 H 1 1.886 . . 1 . . . . 489 ARG HB3 . 6566 1 116 . 1 1 15 15 ARG HG2 H 1 1.673 . . 1 . . . . 489 ARG HG2 . 6566 1 117 . 1 1 15 15 ARG HG3 H 1 1.673 . . 1 . . . . 489 ARG HG3 . 6566 1 118 . 1 1 15 15 ARG HD2 H 1 3.197 . . 1 . . . . 489 ARG HD2 . 6566 1 119 . 1 1 15 15 ARG HD3 H 1 3.197 . . 1 . . . . 489 ARG HD3 . 6566 1 120 . 1 1 15 15 ARG CA C 13 57.053 . . 1 . . . . 489 ARG CA . 6566 1 121 . 1 1 15 15 ARG CB C 13 30.276 . . 1 . . . . 489 ARG CB . 6566 1 122 . 1 1 15 15 ARG CG C 13 27.238 . . 1 . . . . 489 ARG CG . 6566 1 123 . 1 1 15 15 ARG CD C 13 43.430 . . 1 . . . . 489 ARG CD . 6566 1 124 . 1 1 15 15 ARG N N 15 122.353 . . 1 . . . . 489 ARG N . 6566 1 125 . 1 1 16 16 ARG H H 1 8.134 . . 1 . . . . 490 ARG H . 6566 1 126 . 1 1 16 16 ARG HA H 1 4.307 . . 1 . . . . 490 ARG HA . 6566 1 127 . 1 1 16 16 ARG HB2 H 1 1.864 . . 1 . . . . 490 ARG HB2 . 6566 1 128 . 1 1 16 16 ARG HB3 H 1 1.864 . . 1 . . . . 490 ARG HB3 . 6566 1 129 . 1 1 16 16 ARG HG2 H 1 1.676 . . 1 . . . . 490 ARG HG2 . 6566 1 130 . 1 1 16 16 ARG HG3 H 1 1.676 . . 1 . . . . 490 ARG HG3 . 6566 1 131 . 1 1 16 16 ARG HD2 H 1 3.218 . . 1 . . . . 490 ARG HD2 . 6566 1 132 . 1 1 16 16 ARG HD3 H 1 3.218 . . 1 . . . . 490 ARG HD3 . 6566 1 133 . 1 1 16 16 ARG CA C 13 56.936 . . 1 . . . . 490 ARG CA . 6566 1 134 . 1 1 16 16 ARG CB C 13 30.656 . . 1 . . . . 490 ARG CB . 6566 1 135 . 1 1 16 16 ARG CG C 13 27.504 . . 1 . . . . 490 ARG CG . 6566 1 136 . 1 1 16 16 ARG CD C 13 43.467 . . 1 . . . . 490 ARG CD . 6566 1 137 . 1 1 16 16 ARG N N 15 120.565 . . 1 . . . . 490 ARG N . 6566 1 138 . 1 1 17 17 SER H H 1 8.267 . . 1 . . . . 491 SER H . 6566 1 139 . 1 1 17 17 SER HA H 1 4.371 . . 1 . . . . 491 SER HA . 6566 1 140 . 1 1 17 17 SER HB2 H 1 3.974 . . 2 . . . . 491 SER HB2 . 6566 1 141 . 1 1 17 17 SER HB3 H 1 3.910 . . 2 . . . . 491 SER HB3 . 6566 1 142 . 1 1 17 17 SER CA C 13 59.107 . . 1 . . . . 491 SER CA . 6566 1 143 . 1 1 17 17 SER CB C 13 63.607 . . 1 . . . . 491 SER CB . 6566 1 144 . 1 1 17 17 SER N N 15 116.670 . . 1 . . . . 491 SER N . 6566 1 145 . 1 1 18 18 ALA H H 1 8.399 . . 1 . . . . 492 ALA H . 6566 1 146 . 1 1 18 18 ALA HA H 1 4.238 . . 1 . . . . 492 ALA HA . 6566 1 147 . 1 1 18 18 ALA HB1 H 1 1.461 . . 1 . . . . 492 ALA HB . 6566 1 148 . 1 1 18 18 ALA HB2 H 1 1.461 . . 1 . . . . 492 ALA HB . 6566 1 149 . 1 1 18 18 ALA HB3 H 1 1.461 . . 1 . . . . 492 ALA HB . 6566 1 150 . 1 1 18 18 ALA CA C 13 54.113 . . 1 . . . . 492 ALA CA . 6566 1 151 . 1 1 18 18 ALA CB C 13 18.727 . . 1 . . . . 492 ALA CB . 6566 1 152 . 1 1 18 18 ALA N N 15 125.692 . . 1 . . . . 492 ALA N . 6566 1 153 . 1 1 19 19 ASP H H 1 8.281 . . 1 . . . . 493 ASP H . 6566 1 154 . 1 1 19 19 ASP HA H 1 4.469 . . 1 . . . . 493 ASP HA . 6566 1 155 . 1 1 19 19 ASP HB2 H 1 2.680 . . 1 . . . . 493 ASP HB2 . 6566 1 156 . 1 1 19 19 ASP HB3 H 1 2.680 . . 1 . . . . 493 ASP HB3 . 6566 1 157 . 1 1 19 19 ASP CA C 13 55.875 . . 1 . . . . 493 ASP CA . 6566 1 158 . 1 1 19 19 ASP CB C 13 40.909 . . 1 . . . . 493 ASP CB . 6566 1 159 . 1 1 19 19 ASP N N 15 118.618 . . 1 . . . . 493 ASP N . 6566 1 160 . 1 1 20 20 ALA H H 1 8.031 . . 1 . . . . 494 ALA H . 6566 1 161 . 1 1 20 20 ALA HA H 1 4.135 . . 1 . . . . 494 ALA HA . 6566 1 162 . 1 1 20 20 ALA HB1 H 1 1.470 . . 1 . . . . 494 ALA HB . 6566 1 163 . 1 1 20 20 ALA HB2 H 1 1.470 . . 1 . . . . 494 ALA HB . 6566 1 164 . 1 1 20 20 ALA HB3 H 1 1.470 . . 1 . . . . 494 ALA HB . 6566 1 165 . 1 1 20 20 ALA CA C 13 54.384 . . 1 . . . . 494 ALA CA . 6566 1 166 . 1 1 20 20 ALA CB C 13 18.700 . . 1 . . . . 494 ALA CB . 6566 1 167 . 1 1 20 20 ALA N N 15 123.430 . . 1 . . . . 494 ALA N . 6566 1 168 . 1 1 21 21 LEU H H 1 7.967 . . 1 . . . . 495 LEU H . 6566 1 169 . 1 1 21 21 LEU HA H 1 4.194 . . 1 . . . . 495 LEU HA . 6566 1 170 . 1 1 21 21 LEU HB2 H 1 1.651 . . 2 . . . . 495 LEU HB2 . 6566 1 171 . 1 1 21 21 LEU HB3 H 1 1.749 . . 2 . . . . 495 LEU HB3 . 6566 1 172 . 1 1 21 21 LEU HD11 H 1 0.922 . . 2 . . . . 495 LEU HD1 . 6566 1 173 . 1 1 21 21 LEU HD12 H 1 0.922 . . 2 . . . . 495 LEU HD1 . 6566 1 174 . 1 1 21 21 LEU HD13 H 1 0.922 . . 2 . . . . 495 LEU HD1 . 6566 1 175 . 1 1 21 21 LEU HD21 H 1 0.922 . . 2 . . . . 495 LEU HD2 . 6566 1 176 . 1 1 21 21 LEU HD22 H 1 0.922 . . 2 . . . . 495 LEU HD2 . 6566 1 177 . 1 1 21 21 LEU HD23 H 1 0.922 . . 2 . . . . 495 LEU HD2 . 6566 1 178 . 1 1 21 21 LEU CA C 13 56.844 . . 1 . . . . 495 LEU CA . 6566 1 179 . 1 1 21 21 LEU CB C 13 41.817 . . 1 . . . . 495 LEU CB . 6566 1 180 . 1 1 21 21 LEU CG C 13 27.207 . . 1 . . . . 495 LEU CG . 6566 1 181 . 1 1 21 21 LEU CD1 C 13 24.878 . . 2 . . . . 495 LEU CD1 . 6566 1 182 . 1 1 21 21 LEU CD2 C 13 23.746 . . 2 . . . . 495 LEU CD2 . 6566 1 183 . 1 1 21 21 LEU N N 15 119.053 . . 1 . . . . 495 LEU N . 6566 1 184 . 1 1 22 22 LEU H H 1 7.862 . . 1 . . . . 496 LEU H . 6566 1 185 . 1 1 22 22 LEU HA H 1 4.196 . . 1 . . . . 496 LEU HA . 6566 1 186 . 1 1 22 22 LEU HB2 H 1 1.798 . . 2 . . . . 496 LEU HB2 . 6566 1 187 . 1 1 22 22 LEU HB3 H 1 1.616 . . 2 . . . . 496 LEU HB3 . 6566 1 188 . 1 1 22 22 LEU HD11 H 1 0.921 . . 2 . . . . 496 LEU HD1 . 6566 1 189 . 1 1 22 22 LEU HD12 H 1 0.921 . . 2 . . . . 496 LEU HD1 . 6566 1 190 . 1 1 22 22 LEU HD13 H 1 0.921 . . 2 . . . . 496 LEU HD1 . 6566 1 191 . 1 1 22 22 LEU HD21 H 1 0.921 . . 2 . . . . 496 LEU HD2 . 6566 1 192 . 1 1 22 22 LEU HD22 H 1 0.921 . . 2 . . . . 496 LEU HD2 . 6566 1 193 . 1 1 22 22 LEU HD23 H 1 0.921 . . 2 . . . . 496 LEU HD2 . 6566 1 194 . 1 1 22 22 LEU CA C 13 56.799 . . 1 . . . . 496 LEU CA . 6566 1 195 . 1 1 22 22 LEU CB C 13 41.895 . . 1 . . . . 496 LEU CB . 6566 1 196 . 1 1 22 22 LEU CG C 13 27.091 . . 1 . . . . 496 LEU CG . 6566 1 197 . 1 1 22 22 LEU CD1 C 13 25.022 . . 2 . . . . 496 LEU CD1 . 6566 1 198 . 1 1 22 22 LEU CD2 C 13 23.616 . . 2 . . . . 496 LEU CD2 . 6566 1 199 . 1 1 22 22 LEU N N 15 120.618 . . 1 . . . . 496 LEU N . 6566 1 200 . 1 1 23 23 ARG H H 1 7.949 . . 1 . . . . 497 ARG H . 6566 1 201 . 1 1 23 23 ARG HA H 1 4.205 . . 1 . . . . 497 ARG HA . 6566 1 202 . 1 1 23 23 ARG HB2 H 1 1.864 . . 1 . . . . 497 ARG HB2 . 6566 1 203 . 1 1 23 23 ARG HB3 H 1 1.864 . . 1 . . . . 497 ARG HB3 . 6566 1 204 . 1 1 23 23 ARG HG2 H 1 1.655 . . 1 . . . . 497 ARG HG2 . 6566 1 205 . 1 1 23 23 ARG HG3 H 1 1.655 . . 1 . . . . 497 ARG HG3 . 6566 1 206 . 1 1 23 23 ARG HD2 H 1 3.207 . . 1 . . . . 497 ARG HD2 . 6566 1 207 . 1 1 23 23 ARG HD3 H 1 3.207 . . 1 . . . . 497 ARG HD3 . 6566 1 208 . 1 1 23 23 ARG CA C 13 57.711 . . 1 . . . . 497 ARG CA . 6566 1 209 . 1 1 23 23 ARG CB C 13 30.304 . . 1 . . . . 497 ARG CB . 6566 1 210 . 1 1 23 23 ARG CG C 13 27.432 . . 1 . . . . 497 ARG CG . 6566 1 211 . 1 1 23 23 ARG CD C 13 43.466 . . 1 . . . . 497 ARG CD . 6566 1 212 . 1 1 23 23 ARG N N 15 119.752 . . 1 . . . . 497 ARG N . 6566 1 213 . 1 1 24 24 LEU H H 1 7.922 . . 1 . . . . 498 LEU H . 6566 1 214 . 1 1 24 24 LEU HA H 1 4.226 . . 1 . . . . 498 LEU HA . 6566 1 215 . 1 1 24 24 LEU HB2 H 1 1.661 . . 2 . . . . 498 LEU HB2 . 6566 1 216 . 1 1 24 24 LEU HB3 H 1 1.773 . . 2 . . . . 498 LEU HB3 . 6566 1 217 . 1 1 24 24 LEU HD11 H 1 0.914 . . 2 . . . . 498 LEU HD1 . 6566 1 218 . 1 1 24 24 LEU HD12 H 1 0.914 . . 2 . . . . 498 LEU HD1 . 6566 1 219 . 1 1 24 24 LEU HD13 H 1 0.914 . . 2 . . . . 498 LEU HD1 . 6566 1 220 . 1 1 24 24 LEU HD21 H 1 0.914 . . 2 . . . . 498 LEU HD2 . 6566 1 221 . 1 1 24 24 LEU HD22 H 1 0.914 . . 2 . . . . 498 LEU HD2 . 6566 1 222 . 1 1 24 24 LEU HD23 H 1 0.914 . . 2 . . . . 498 LEU HD2 . 6566 1 223 . 1 1 24 24 LEU CA C 13 56.518 . . 1 . . . . 498 LEU CA . 6566 1 224 . 1 1 24 24 LEU CB C 13 42.167 . . 1 . . . . 498 LEU CB . 6566 1 225 . 1 1 24 24 LEU CG C 13 27.128 . . 1 . . . . 498 LEU CG . 6566 1 226 . 1 1 24 24 LEU CD1 C 13 25.145 . . 2 . . . . 498 LEU CD1 . 6566 1 227 . 1 1 24 24 LEU CD2 C 13 23.630 . . 2 . . . . 498 LEU CD2 . 6566 1 228 . 1 1 24 24 LEU N N 15 120.989 . . 1 . . . . 498 LEU N . 6566 1 229 . 1 1 25 25 GLN H H 1 8.176 . . 1 . . . . 499 GLN H . 6566 1 230 . 1 1 25 25 GLN HA H 1 4.210 . . 1 . . . . 499 GLN HA . 6566 1 231 . 1 1 25 25 GLN HB2 H 1 2.105 . . 1 . . . . 499 GLN HB2 . 6566 1 232 . 1 1 25 25 GLN HB3 H 1 2.105 . . 1 . . . . 499 GLN HB3 . 6566 1 233 . 1 1 25 25 GLN HG2 H 1 2.419 . . 1 . . . . 499 GLN HG2 . 6566 1 234 . 1 1 25 25 GLN HG3 H 1 2.419 . . 1 . . . . 499 GLN HG3 . 6566 1 235 . 1 1 25 25 GLN CA C 13 56.997 . . 1 . . . . 499 GLN CA . 6566 1 236 . 1 1 25 25 GLN CB C 13 29.006 . . 1 . . . . 499 GLN CB . 6566 1 237 . 1 1 25 25 GLN CG C 13 34.143 . . 1 . . . . 499 GLN CG . 6566 1 238 . 1 1 25 25 GLN N N 15 119.563 . . 1 . . . . 499 GLN N . 6566 1 239 . 1 1 26 26 ALA H H 1 8.081 . . 1 . . . . 500 ALA H . 6566 1 240 . 1 1 26 26 ALA HA H 1 4.298 . . 1 . . . . 500 ALA HA . 6566 1 241 . 1 1 26 26 ALA HB1 H 1 1.451 . . 1 . . . . 500 ALA HB . 6566 1 242 . 1 1 26 26 ALA HB2 H 1 1.451 . . 1 . . . . 500 ALA HB . 6566 1 243 . 1 1 26 26 ALA HB3 H 1 1.451 . . 1 . . . . 500 ALA HB . 6566 1 244 . 1 1 26 26 ALA CA C 13 53.339 . . 1 . . . . 500 ALA CA . 6566 1 245 . 1 1 26 26 ALA CB C 13 18.927 . . 1 . . . . 500 ALA CB . 6566 1 246 . 1 1 26 26 ALA N N 15 123.324 . . 1 . . . . 500 ALA N . 6566 1 247 . 1 1 27 27 MET H H 1 8.058 . . 1 . . . . 501 MET H . 6566 1 248 . 1 1 27 27 MET HA H 1 4.433 . . 1 . . . . 501 MET HA . 6566 1 249 . 1 1 27 27 MET HB2 H 1 2.048 . . 1 . . . . 501 MET HB2 . 6566 1 250 . 1 1 27 27 MET HB3 H 1 2.048 . . 1 . . . . 501 MET HB3 . 6566 1 251 . 1 1 27 27 MET HG2 H 1 2.689 . . 2 . . . . 501 MET HG2 . 6566 1 252 . 1 1 27 27 MET HG3 H 1 2.593 . . 2 . . . . 501 MET HG3 . 6566 1 253 . 1 1 27 27 MET CA C 13 55.845 . . 1 . . . . 501 MET CA . 6566 1 254 . 1 1 27 27 MET CB C 13 32.825 . . 1 . . . . 501 MET CB . 6566 1 255 . 1 1 27 27 MET CG C 13 32.195 . . 1 . . . . 501 MET CG . 6566 1 256 . 1 1 27 27 MET N N 15 118.207 . . 1 . . . . 501 MET N . 6566 1 257 . 1 1 28 28 ALA H H 1 8.060 . . 1 . . . . 502 ALA H . 6566 1 258 . 1 1 28 28 ALA HA H 1 4.306 . . 1 . . . . 502 ALA HA . 6566 1 259 . 1 1 28 28 ALA HB1 H 1 1.441 . . 1 . . . . 502 ALA HB . 6566 1 260 . 1 1 28 28 ALA HB2 H 1 1.441 . . 1 . . . . 502 ALA HB . 6566 1 261 . 1 1 28 28 ALA HB3 H 1 1.441 . . 1 . . . . 502 ALA HB . 6566 1 262 . 1 1 28 28 ALA CA C 13 52.974 . . 1 . . . . 502 ALA CA . 6566 1 263 . 1 1 28 28 ALA CB C 13 19.241 . . 1 . . . . 502 ALA CB . 6566 1 264 . 1 1 28 28 ALA N N 15 124.022 . . 1 . . . . 502 ALA N . 6566 1 265 . 1 1 29 29 GLY H H 1 8.276 . . 1 . . . . 503 GLY H . 6566 1 266 . 1 1 29 29 GLY HA2 H 1 3.949 . . 2 . . . . 503 GLY HA2 . 6566 1 267 . 1 1 29 29 GLY HA3 H 1 4.287 . . 2 . . . . 503 GLY HA3 . 6566 1 268 . 1 1 29 29 GLY CA C 13 45.413 . . 1 . . . . 503 GLY CA . 6566 1 269 . 1 1 29 29 GLY N N 15 125.912 . . 1 . . . . 503 GLY N . 6566 1 270 . 1 1 30 30 ILE H H 1 7.839 . . 1 . . . . 504 ILE H . 6566 1 271 . 1 1 30 30 ILE HA H 1 4.185 . . 1 . . . . 504 ILE HA . 6566 1 272 . 1 1 30 30 ILE HB H 1 1.804 . . 1 . . . . 504 ILE HB . 6566 1 273 . 1 1 30 30 ILE CA C 13 60.958 . . 1 . . . . 504 ILE CA . 6566 1 274 . 1 1 30 30 ILE CB C 13 39.005 . . 1 . . . . 504 ILE CB . 6566 1 275 . 1 1 30 30 ILE CG1 C 13 27.257 . . 1 . . . . 504 ILE CG1 . 6566 1 276 . 1 1 30 30 ILE CG2 C 13 17.570 . . 1 . . . . 504 ILE CG2 . 6566 1 277 . 1 1 30 30 ILE CD1 C 13 13.081 . . 1 . . . . 504 ILE CD1 . 6566 1 278 . 1 1 30 30 ILE N N 15 119.917 . . 1 . . . . 504 ILE N . 6566 1 279 . 1 1 31 31 SER H H 1 8.245 . . 1 . . . . 505 SER H . 6566 1 280 . 1 1 31 31 SER HA H 1 4.483 . . 1 . . . . 505 SER HA . 6566 1 281 . 1 1 31 31 SER HB2 H 1 3.796 . . 1 . . . . 505 SER HB2 . 6566 1 282 . 1 1 31 31 SER HB3 H 1 3.796 . . 1 . . . . 505 SER HB3 . 6566 1 283 . 1 1 31 31 SER CA C 13 57.916 . . 1 . . . . 505 SER CA . 6566 1 284 . 1 1 31 31 SER CB C 13 64.144 . . 1 . . . . 505 SER CB . 6566 1 285 . 1 1 31 31 SER N N 15 120.050 . . 1 . . . . 505 SER N . 6566 1 286 . 1 1 32 32 TYR H H 1 7.795 . . 1 . . . . 506 TYR H . 6566 1 287 . 1 1 32 32 TYR HA H 1 4.460 . . 1 . . . . 506 TYR HA . 6566 1 288 . 1 1 32 32 TYR HB2 H 1 2.877 . . 1 . . . . 506 TYR HB2 . 6566 1 289 . 1 1 32 32 TYR HB3 H 1 2.877 . . 1 . . . . 506 TYR HB3 . 6566 1 290 . 1 1 32 32 TYR CA C 13 59.270 . . 1 . . . . 506 TYR CA . 6566 1 291 . 1 1 32 32 TYR CB C 13 39.532 . . 1 . . . . 506 TYR CB . 6566 1 292 . 1 1 32 32 TYR N N 15 127.315 . . 1 . . . . 506 TYR N . 6566 1 stop_ save_