################################### # 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 6567 _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 3 '3D H(CCO)NH' 1 $sample_1 isotropic 6567 1 4 '3D C(CO)NH' 1 $sample_1 isotropic 6567 1 5 '2D 1H-15N HSQC' 1 $sample_1 isotropic 6567 1 6 '3D 15N-edited NOESY' 1 $sample_1 isotropic 6567 1 7 '3D 15N-edited TOCSY' 1 $sample_1 isotropic 6567 1 8 '3D HNHA' 1 $sample_1 isotropic 6567 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 . . 6567 1 2 $Sparky . . 6567 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 4.499 . . 1 . . . . 476 THR HA . 6567 1 2 . 1 1 2 2 THR HB H 1 4.275 . . 1 . . . . 476 THR HB . 6567 1 3 . 1 1 2 2 THR HG21 H 1 1.235 . . 1 . . . . 476 THR HG2 . 6567 1 4 . 1 1 2 2 THR HG22 H 1 1.235 . . 1 . . . . 476 THR HG2 . 6567 1 5 . 1 1 2 2 THR HG23 H 1 1.235 . . 1 . . . . 476 THR HG2 . 6567 1 6 . 1 1 2 2 THR CA C 13 61.896 . . 1 . . . . 476 THR CA . 6567 1 7 . 1 1 2 2 THR CB C 13 70.035 . . 1 . . . . 476 THR CB . 6567 1 8 . 1 1 2 2 THR CG2 C 13 21.708 . . 1 . . . . 476 THR CG2 . 6567 1 9 . 1 1 3 3 THR H H 1 8.330 . . 1 . . . . 477 THR H . 6567 1 10 . 1 1 3 3 THR HA H 1 4.380 . . 1 . . . . 477 THR HA . 6567 1 11 . 1 1 3 3 THR HB H 1 4.252 . . 1 . . . . 477 THR HB . 6567 1 12 . 1 1 3 3 THR HG21 H 1 1.238 . . 1 . . . . 477 THR HG1 . 6567 1 13 . 1 1 3 3 THR HG22 H 1 1.238 . . 1 . . . . 477 THR HG1 . 6567 1 14 . 1 1 3 3 THR HG23 H 1 1.238 . . 1 . . . . 477 THR HG1 . 6567 1 15 . 1 1 3 3 THR CA C 13 61.930 . . 1 . . . . 477 THR CA . 6567 1 16 . 1 1 3 3 THR CB C 13 70.032 . . 1 . . . . 477 THR CB . 6567 1 17 . 1 1 3 3 THR CG2 C 13 21.864 . . 1 . . . . 477 THR CG2 . 6567 1 18 . 1 1 3 3 THR N N 15 117.022 . . 1 . . . . 477 THR N . 6567 1 19 . 1 1 4 4 ALA H H 1 8.515 . . 1 . . . . 478 ALA H . 6567 1 20 . 1 1 4 4 ALA HA H 1 4.421 . . 1 . . . . 478 ALA HA . 6567 1 21 . 1 1 4 4 ALA HB1 H 1 1.430 . . 1 . . . . 478 ALA HB . 6567 1 22 . 1 1 4 4 ALA HB2 H 1 1.430 . . 1 . . . . 478 ALA HB . 6567 1 23 . 1 1 4 4 ALA HB3 H 1 1.430 . . 1 . . . . 478 ALA HB . 6567 1 24 . 1 1 4 4 ALA CA C 13 52.885 . . 1 . . . . 478 ALA CA . 6567 1 25 . 1 1 4 4 ALA CB C 13 19.427 . . 1 . . . . 478 ALA CB . 6567 1 26 . 1 1 4 4 ALA N N 15 127.010 . . 1 . . . . 478 ALA N . 6567 1 27 . 1 1 5 5 THR H H 1 8.178 . . 1 . . . . 479 THR H . 6567 1 28 . 1 1 5 5 THR HA H 1 4.332 . . 1 . . . . 479 THR HA . 6567 1 29 . 1 1 5 5 THR HB H 1 4.240 . . 1 . . . . 479 THR HB . 6567 1 30 . 1 1 5 5 THR HG21 H 1 1.218 . . 1 . . . . 479 THR HG2 . 6567 1 31 . 1 1 5 5 THR HG22 H 1 1.218 . . 1 . . . . 479 THR HG2 . 6567 1 32 . 1 1 5 5 THR HG23 H 1 1.218 . . 1 . . . . 479 THR HG2 . 6567 1 33 . 1 1 5 5 THR CA C 13 62.087 . . 1 . . . . 479 THR CA . 6567 1 34 . 1 1 5 5 THR CB C 13 69.907 . . 1 . . . . 479 THR CB . 6567 1 35 . 1 1 5 5 THR CG2 C 13 21.851 . . 1 . . . . 479 THR CG2 . 6567 1 36 . 1 1 5 5 THR N N 15 113.494 . . 1 . . . . 479 THR N . 6567 1 37 . 1 1 6 6 GLU H H 1 8.444 . . 1 . . . . 480 GLU H . 6567 1 38 . 1 1 6 6 GLU HA H 1 4.356 . . 1 . . . . 480 GLU HA . 6567 1 39 . 1 1 6 6 GLU HB2 H 1 1.987 . . 2 . . . . 480 GLU HB2 . 6567 1 40 . 1 1 6 6 GLU HB3 H 1 2.116 . . 2 . . . . 480 GLU HB3 . 6567 1 41 . 1 1 6 6 GLU HG2 H 1 2.317 . . 1 . . . . 480 GLU HG2 . 6567 1 42 . 1 1 6 6 GLU HG3 H 1 2.317 . . 1 . . . . 480 GLU HG3 . 6567 1 43 . 1 1 6 6 GLU CA C 13 56.758 . . 1 . . . . 480 GLU CA . 6567 1 44 . 1 1 6 6 GLU CB C 13 30.285 . . 1 . . . . 480 GLU CB . 6567 1 45 . 1 1 6 6 GLU CG C 13 35.984 . . 1 . . . . 480 GLU CG . 6567 1 46 . 1 1 6 6 GLU N N 15 123.337 . . 1 . . . . 480 GLU N . 6567 1 47 . 1 1 7 7 SER H H 1 8.417 . . 1 . . . . 481 SER H . 6567 1 48 . 1 1 7 7 SER HA H 1 4.511 . . 1 . . . . 481 SER HA . 6567 1 49 . 1 1 7 7 SER HB2 H 1 3.901 . . 1 . . . . 481 SER HB2 . 6567 1 50 . 1 1 7 7 SER HB3 H 1 3.901 . . 1 . . . . 481 SER HB3 . 6567 1 51 . 1 1 7 7 SER CA C 13 58.507 . . 1 . . . . 481 SER CA . 6567 1 52 . 1 1 7 7 SER CB C 13 63.995 . . 1 . . . . 481 SER CB . 6567 1 53 . 1 1 7 7 SER N N 15 116.945 . . 1 . . . . 481 SER N . 6567 1 54 . 1 1 8 8 SER H H 1 8.394 . . 1 . . . . 482 SER H . 6567 1 55 . 1 1 8 8 SER HA H 1 4.482 . . 1 . . . . 482 SER HA . 6567 1 56 . 1 1 8 8 SER HB2 H 1 3.903 . . 1 . . . . 482 SER HB2 . 6567 1 57 . 1 1 8 8 SER HB3 H 1 3.903 . . 1 . . . . 482 SER HB3 . 6567 1 58 . 1 1 8 8 SER CA C 13 58.537 . . 1 . . . . 482 SER CA . 6567 1 59 . 1 1 8 8 SER CB C 13 63.898 . . 1 . . . . 482 SER CB . 6567 1 60 . 1 1 8 8 SER N N 15 117.916 . . 1 . . . . 482 SER N . 6567 1 61 . 1 1 9 9 GLN H H 1 8.426 . . 1 . . . . 483 GLN H . 6567 1 62 . 1 1 9 9 GLN HA H 1 4.388 . . 1 . . . . 483 GLN HA . 6567 1 63 . 1 1 9 9 GLN HB2 H 1 2.140 . . 2 . . . . 483 GLN HB2 . 6567 1 64 . 1 1 9 9 GLN HB3 H 1 1.960 . . 2 . . . . 483 GLN HB3 . 6567 1 65 . 1 1 9 9 GLN HG2 H 1 2.369 . . 1 . . . . 483 GLN HG2 . 6567 1 66 . 1 1 9 9 GLN HG3 H 1 2.369 . . 1 . . . . 483 GLN HG3 . 6567 1 67 . 1 1 9 9 GLN CA C 13 55.662 . . 1 . . . . 483 GLN CA . 6567 1 68 . 1 1 9 9 GLN CB C 13 29.817 . . 1 . . . . 483 GLN CB . 6567 1 69 . 1 1 9 9 GLN CG C 13 34.009 . . 1 . . . . 483 GLN CG . 6567 1 70 . 1 1 9 9 GLN N N 15 122.010 . . 1 . . . . 483 GLN N . 6567 1 71 . 1 1 10 10 ASP H H 1 8.548 . . 1 . . . . 484 ASP H . 6567 1 72 . 1 1 10 10 ASP HA H 1 4.876 . . 1 . . . . 484 ASP HA . 6567 1 73 . 1 1 10 10 ASP HB2 H 1 2.614 . . 2 . . . . 484 ASP HB2 . 6567 1 74 . 1 1 10 10 ASP HB3 H 1 2.811 . . 2 . . . . 484 ASP HB3 . 6567 1 75 . 1 1 10 10 ASP N N 15 123.803 . . 1 . . . . 484 ASP N . 6567 1 76 . 1 1 11 11 PRO HA H 1 4.461 . . 1 . . . . 485 PRO HA . 6567 1 77 . 1 1 11 11 PRO HB2 H 1 2.385 . . 1 . . . . 485 PRO HB2 . 6567 1 78 . 1 1 11 11 PRO HB3 H 1 2.385 . . 1 . . . . 485 PRO HB3 . 6567 1 79 . 1 1 11 11 PRO HG2 H 1 2.080 . . 1 . . . . 485 PRO HG2 . 6567 1 80 . 1 1 11 11 PRO HG3 H 1 2.080 . . 1 . . . . 485 PRO HG3 . 6567 1 81 . 1 1 11 11 PRO CA C 13 64.342 . . 1 . . . . 485 PRO CA . 6567 1 82 . 1 1 11 11 PRO CB C 13 32.301 . . 1 . . . . 485 PRO CB . 6567 1 83 . 1 1 11 11 PRO CG C 13 27.608 . . 1 . . . . 485 PRO CG . 6567 1 84 . 1 1 12 12 GLN H H 1 8.674 . . 1 . . . . 486 GLN H . 6567 1 85 . 1 1 12 12 GLN HA H 1 4.232 . . 1 . . . . 486 GLN HA . 6567 1 86 . 1 1 12 12 GLN HB2 H 1 2.089 . . 1 . . . . 486 GLN HB2 . 6567 1 87 . 1 1 12 12 GLN HB3 H 1 2.089 . . 1 . . . . 486 GLN HB3 . 6567 1 88 . 1 1 12 12 GLN HG2 H 1 2.415 . . 1 . . . . 486 GLN HG2 . 6567 1 89 . 1 1 12 12 GLN HG3 H 1 2.415 . . 1 . . . . 486 GLN HG3 . 6567 1 90 . 1 1 12 12 GLN CA C 13 57.538 . . 1 . . . . 486 GLN CA . 6567 1 91 . 1 1 12 12 GLN CB C 13 28.799 . . 1 . . . . 486 GLN CB . 6567 1 92 . 1 1 12 12 GLN CG C 13 34.192 . . 1 . . . . 486 GLN CG . 6567 1 93 . 1 1 12 12 GLN N N 15 118.741 . . 1 . . . . 486 GLN N . 6567 1 94 . 1 1 13 13 ASP H H 1 8.292 . . 1 . . . . 487 ASP H . 6567 1 95 . 1 1 13 13 ASP HA H 1 4.480 . . 1 . . . . 487 ASP HA . 6567 1 96 . 1 1 13 13 ASP HB2 H 1 2.679 . . 2 . . . . 487 ASP HB2 . 6567 1 97 . 1 1 13 13 ASP HB3 H 1 2.830 . . 2 . . . . 487 ASP HB3 . 6567 1 98 . 1 1 13 13 ASP CA C 13 56.467 . . 1 . . . . 487 ASP CA . 6567 1 99 . 1 1 13 13 ASP CB C 13 40.747 . . 1 . . . . 487 ASP CB . 6567 1 100 . 1 1 13 13 ASP N N 15 120.826 . . 1 . . . . 487 ASP N . 6567 1 101 . 1 1 14 14 SER H H 1 8.352 . . 1 . . . . 488 SER H . 6567 1 102 . 1 1 14 14 SER HA H 1 4.433 . . 1 . . . . 488 SER HA . 6567 1 103 . 1 1 14 14 SER HB2 H 1 3.996 . . 1 . . . . 488 SER HB2 . 6567 1 104 . 1 1 14 14 SER HB3 H 1 3.996 . . 1 . . . . 488 SER HB3 . 6567 1 105 . 1 1 14 14 SER CA C 13 60.801 . . 1 . . . . 488 SER CA . 6567 1 106 . 1 1 14 14 SER CB C 13 62.920 . . 1 . . . . 488 SER CB . 6567 1 107 . 1 1 14 14 SER N N 15 116.769 . . 1 . . . . 488 SER N . 6567 1 108 . 1 1 15 15 ARG H H 1 8.093 . . 1 . . . . 489 ARG H . 6567 1 109 . 1 1 15 15 ARG HA H 1 4.249 . . 1 . . . . 489 ARG HA . 6567 1 110 . 1 1 15 15 ARG HB2 H 1 1.969 . . 1 . . . . 489 ARG HB2 . 6567 1 111 . 1 1 15 15 ARG HB3 H 1 1.969 . . 1 . . . . 489 ARG HB3 . 6567 1 112 . 1 1 15 15 ARG HG2 H 1 1.729 . . 1 . . . . 489 ARG HG2 . 6567 1 113 . 1 1 15 15 ARG HG3 H 1 1.729 . . 1 . . . . 489 ARG HG3 . 6567 1 114 . 1 1 15 15 ARG HD2 H 1 3.250 . . 1 . . . . 489 ARG HD2 . 6567 1 115 . 1 1 15 15 ARG HD3 H 1 3.250 . . 1 . . . . 489 ARG HD3 . 6567 1 116 . 1 1 15 15 ARG CA C 13 58.520 . . 1 . . . . 489 ARG CA . 6567 1 117 . 1 1 15 15 ARG CB C 13 30.188 . . 1 . . . . 489 ARG CB . 6567 1 118 . 1 1 15 15 ARG CG C 13 26.902 . . 1 . . . . 489 ARG CG . 6567 1 119 . 1 1 15 15 ARG CD C 13 43.324 . . 1 . . . . 489 ARG CD . 6567 1 120 . 1 1 15 15 ARG N N 15 124.400 . . 1 . . . . 489 ARG N . 6567 1 121 . 1 1 16 16 ARG H H 1 8.105 . . 1 . . . . 490 ARG H . 6567 1 122 . 1 1 16 16 ARG HA H 1 4.157 . . 1 . . . . 490 ARG HA . 6567 1 123 . 1 1 16 16 ARG HB2 H 1 1.878 . . 1 . . . . 490 ARG HB2 . 6567 1 124 . 1 1 16 16 ARG HB3 H 1 1.878 . . 1 . . . . 490 ARG HB3 . 6567 1 125 . 1 1 16 16 ARG HD2 H 1 3.258 . . 1 . . . . 490 ARG HD2 . 6567 1 126 . 1 1 16 16 ARG HD3 H 1 3.258 . . 1 . . . . 490 ARG HD3 . 6567 1 127 . 1 1 16 16 ARG CA C 13 59.513 . . 1 . . . . 490 ARG CA . 6567 1 128 . 1 1 16 16 ARG CB C 13 30.600 . . 1 . . . . 490 ARG CB . 6567 1 129 . 1 1 16 16 ARG CG C 13 28.370 . . 1 . . . . 490 ARG CG . 6567 1 130 . 1 1 16 16 ARG CD C 13 43.591 . . 1 . . . . 490 ARG CD . 6567 1 131 . 1 1 16 16 ARG N N 15 119.503 . . 1 . . . . 490 ARG N . 6567 1 132 . 1 1 17 17 SER H H 1 7.785 . . 1 . . . . 491 SER H . 6567 1 133 . 1 1 17 17 SER HA H 1 4.243 . . 1 . . . . 491 SER HA . 6567 1 134 . 1 1 17 17 SER HB2 H 1 4.039 . . 2 . . . . 491 SER HB2 . 6567 1 135 . 1 1 17 17 SER HB3 H 1 4.303 . . 2 . . . . 491 SER HB3 . 6567 1 136 . 1 1 17 17 SER CA C 13 61.495 . . 1 . . . . 491 SER CA . 6567 1 137 . 1 1 17 17 SER CB C 13 62.917 . . 1 . . . . 491 SER CB . 6567 1 138 . 1 1 17 17 SER N N 15 115.689 . . 1 . . . . 491 SER N . 6567 1 139 . 1 1 18 18 ALA H H 1 7.954 . . 1 . . . . 492 ALA H . 6567 1 140 . 1 1 18 18 ALA HA H 1 4.083 . . 1 . . . . 492 ALA HA . 6567 1 141 . 1 1 18 18 ALA HB1 H 1 1.583 . . 1 . . . . 492 ALA HB . 6567 1 142 . 1 1 18 18 ALA HB2 H 1 1.583 . . 1 . . . . 492 ALA HB . 6567 1 143 . 1 1 18 18 ALA HB3 H 1 1.583 . . 1 . . . . 492 ALA HB . 6567 1 144 . 1 1 18 18 ALA CA C 13 55.271 . . 1 . . . . 492 ALA CA . 6567 1 145 . 1 1 18 18 ALA CB C 13 18.356 . . 1 . . . . 492 ALA CB . 6567 1 146 . 1 1 18 18 ALA N N 15 120.489 . . 1 . . . . 492 ALA N . 6567 1 147 . 1 1 19 19 ASP H H 1 8.577 . . 1 . . . . 493 ASP H . 6567 1 148 . 1 1 19 19 ASP HA H 1 4.491 . . 1 . . . . 493 ASP HA . 6567 1 149 . 1 1 19 19 ASP HB2 H 1 2.652 . . 2 . . . . 493 ASP HB2 . 6567 1 150 . 1 1 19 19 ASP HB3 H 1 2.776 . . 2 . . . . 493 ASP HB3 . 6567 1 151 . 1 1 19 19 ASP CA C 13 57.244 . . 1 . . . . 493 ASP CA . 6567 1 152 . 1 1 19 19 ASP CB C 13 40.796 . . 1 . . . . 493 ASP CB . 6567 1 153 . 1 1 19 19 ASP N N 15 118.805 . . 1 . . . . 493 ASP N . 6567 1 154 . 1 1 20 20 ALA H H 1 7.965 . . 1 . . . . 494 ALA H . 6567 1 155 . 1 1 20 20 ALA HA H 1 4.211 . . 1 . . . . 494 ALA HA . 6567 1 156 . 1 1 20 20 ALA HB1 H 1 1.703 . . 1 . . . . 494 ALA HB . 6567 1 157 . 1 1 20 20 ALA HB2 H 1 1.703 . . 1 . . . . 494 ALA HB . 6567 1 158 . 1 1 20 20 ALA HB3 H 1 1.703 . . 1 . . . . 494 ALA HB . 6567 1 159 . 1 1 20 20 ALA CA C 13 55.730 . . 1 . . . . 494 ALA CA . 6567 1 160 . 1 1 20 20 ALA CB C 13 18.812 . . 1 . . . . 494 ALA CB . 6567 1 161 . 1 1 20 20 ALA N N 15 124.432 . . 1 . . . . 494 ALA N . 6567 1 162 . 1 1 21 21 LEU H H 1 7.902 . . 1 . . . . 495 LEU H . 6567 1 163 . 1 1 21 21 LEU HA H 1 4.060 . . 1 . . . . 495 LEU HA . 6567 1 164 . 1 1 21 21 LEU CA C 13 57.891 . . 1 . . . . 495 LEU CA . 6567 1 165 . 1 1 21 21 LEU CB C 13 41.790 . . 1 . . . . 495 LEU CB . 6567 1 166 . 1 1 21 21 LEU CG C 13 26.332 . . 1 . . . . 495 LEU CG . 6567 1 167 . 1 1 21 21 LEU CD1 C 13 23.836 . . 1 . . . . 495 LEU CD1 . 6567 1 168 . 1 1 21 21 LEU CD2 C 13 23.836 . . 1 . . . . 495 LEU CD2 . 6567 1 169 . 1 1 21 21 LEU N N 15 117.426 . . 1 . . . . 495 LEU N . 6567 1 170 . 1 1 22 22 LEU H H 1 7.922 . . 1 . . . . 496 LEU H . 6567 1 171 . 1 1 22 22 LEU HA H 1 4.117 . . 1 . . . . 496 LEU HA . 6567 1 172 . 1 1 22 22 LEU CA C 13 58.289 . . 1 . . . . 496 LEU CA . 6567 1 173 . 1 1 22 22 LEU CB C 13 41.700 . . 1 . . . . 496 LEU CB . 6567 1 174 . 1 1 22 22 LEU N N 15 120.710 . . 1 . . . . 496 LEU N . 6567 1 175 . 1 1 23 23 ARG H H 1 8.044 . . 1 . . . . 497 ARG H . 6567 1 176 . 1 1 23 23 ARG HA H 1 4.126 . . 1 . . . . 497 ARG HA . 6567 1 177 . 1 1 23 23 ARG HD2 H 1 3.229 . . 1 . . . . 497 ARG HD2 . 6567 1 178 . 1 1 23 23 ARG HD3 H 1 3.229 . . 1 . . . . 497 ARG HD3 . 6567 1 179 . 1 1 23 23 ARG CA C 13 59.228 . . 1 . . . . 497 ARG CA . 6567 1 180 . 1 1 23 23 ARG CB C 13 30.307 . . 1 . . . . 497 ARG CB . 6567 1 181 . 1 1 23 23 ARG CD C 13 43.608 . . 1 . . . . 497 ARG CD . 6567 1 182 . 1 1 23 23 ARG N N 15 120.494 . . 1 . . . . 497 ARG N . 6567 1 183 . 1 1 24 24 LEU H H 1 8.275 . . 1 . . . . 498 LEU H . 6567 1 184 . 1 1 24 24 LEU HA H 1 3.960 . . 1 . . . . 498 LEU HA . 6567 1 185 . 1 1 24 24 LEU HB2 H 1 1.292 . . 2 . . . . 498 LEU HB2 . 6567 1 186 . 1 1 24 24 LEU HB3 H 1 1.974 . . 2 . . . . 498 LEU HB3 . 6567 1 187 . 1 1 24 24 LEU HD11 H 1 0.244 . . 2 . . . . 498 LEU HD1 . 6567 1 188 . 1 1 24 24 LEU HD12 H 1 0.244 . . 2 . . . . 498 LEU HD1 . 6567 1 189 . 1 1 24 24 LEU HD13 H 1 0.244 . . 2 . . . . 498 LEU HD1 . 6567 1 190 . 1 1 24 24 LEU HD21 H 1 0.508 . . 2 . . . . 498 LEU HD2 . 6567 1 191 . 1 1 24 24 LEU HD22 H 1 0.508 . . 2 . . . . 498 LEU HD2 . 6567 1 192 . 1 1 24 24 LEU HD23 H 1 0.508 . . 2 . . . . 498 LEU HD2 . 6567 1 193 . 1 1 24 24 LEU CA C 13 57.782 . . 1 . . . . 498 LEU CA . 6567 1 194 . 1 1 24 24 LEU CB C 13 41.736 . . 1 . . . . 498 LEU CB . 6567 1 195 . 1 1 24 24 LEU CG C 13 27.782 . . 1 . . . . 498 LEU CG . 6567 1 196 . 1 1 24 24 LEU CD1 C 13 24.638 . . 1 . . . . 498 LEU CD1 . 6567 1 197 . 1 1 24 24 LEU CD2 C 13 24.638 . . 1 . . . . 498 LEU CD2 . 6567 1 198 . 1 1 24 24 LEU N N 15 123.426 . . 1 . . . . 498 LEU N . 6567 1 199 . 1 1 25 25 GLN H H 1 8.451 . . 1 . . . . 499 GLN H . 6567 1 200 . 1 1 25 25 GLN HA H 1 3.952 . . 1 . . . . 499 GLN HA . 6567 1 201 . 1 1 25 25 GLN HB2 H 1 2.216 . . 1 . . . . 499 GLN HB2 . 6567 1 202 . 1 1 25 25 GLN HB3 H 1 2.216 . . 1 . . . . 499 GLN HB3 . 6567 1 203 . 1 1 25 25 GLN HG2 H 1 2.390 . . 1 . . . . 499 GLN HG2 . 6567 1 204 . 1 1 25 25 GLN HG3 H 1 2.390 . . 1 . . . . 499 GLN HG3 . 6567 1 205 . 1 1 25 25 GLN CA C 13 59.363 . . 1 . . . . 499 GLN CA . 6567 1 206 . 1 1 25 25 GLN CB C 13 28.926 . . 1 . . . . 499 GLN CB . 6567 1 207 . 1 1 25 25 GLN CG C 13 34.602 . . 1 . . . . 499 GLN CG . 6567 1 208 . 1 1 25 25 GLN N N 15 119.743 . . 1 . . . . 499 GLN N . 6567 1 209 . 1 1 26 26 ALA H H 1 7.686 . . 1 . . . . 500 ALA H . 6567 1 210 . 1 1 26 26 ALA HA H 1 4.218 . . 1 . . . . 500 ALA HA . 6567 1 211 . 1 1 26 26 ALA HB1 H 1 1.539 . . 1 . . . . 500 ALA HB . 6567 1 212 . 1 1 26 26 ALA HB2 H 1 1.539 . . 1 . . . . 500 ALA HB . 6567 1 213 . 1 1 26 26 ALA HB3 H 1 1.539 . . 1 . . . . 500 ALA HB . 6567 1 214 . 1 1 26 26 ALA CA C 13 54.504 . . 1 . . . . 500 ALA CA . 6567 1 215 . 1 1 26 26 ALA CB C 13 18.297 . . 1 . . . . 500 ALA CB . 6567 1 216 . 1 1 26 26 ALA N N 15 120.362 . . 1 . . . . 500 ALA N . 6567 1 217 . 1 1 27 27 MET H H 1 7.692 . . 1 . . . . 501 MET H . 6567 1 218 . 1 1 27 27 MET HA H 1 4.187 . . 1 . . . . 501 MET HA . 6567 1 219 . 1 1 27 27 MET HB2 H 1 2.203 . . 2 . . . . 501 MET HB2 . 6567 1 220 . 1 1 27 27 MET HB3 H 1 2.296 . . 2 . . . . 501 MET HB3 . 6567 1 221 . 1 1 27 27 MET HG2 H 1 2.546 . . 2 . . . . 501 MET HG2 . 6567 1 222 . 1 1 27 27 MET HG3 H 1 2.772 . . 2 . . . . 501 MET HG3 . 6567 1 223 . 1 1 27 27 MET CA C 13 58.062 . . 1 . . . . 501 MET CA . 6567 1 224 . 1 1 27 27 MET CB C 13 32.320 . . 1 . . . . 501 MET CB . 6567 1 225 . 1 1 27 27 MET N N 15 118.161 . . 1 . . . . 501 MET N . 6567 1 226 . 1 1 28 28 ALA H H 1 8.134 . . 1 . . . . 502 ALA H . 6567 1 227 . 1 1 28 28 ALA HA H 1 4.117 . . 1 . . . . 502 ALA HA . 6567 1 228 . 1 1 28 28 ALA HB1 H 1 1.398 . . 1 . . . . 502 ALA HB . 6567 1 229 . 1 1 28 28 ALA HB2 H 1 1.398 . . 1 . . . . 502 ALA HB . 6567 1 230 . 1 1 28 28 ALA HB3 H 1 1.398 . . 1 . . . . 502 ALA HB . 6567 1 231 . 1 1 28 28 ALA CA C 13 53.380 . . 1 . . . . 502 ALA CA . 6567 1 232 . 1 1 28 28 ALA CB C 13 19.254 . . 1 . . . . 502 ALA CB . 6567 1 233 . 1 1 28 28 ALA N N 15 120.754 . . 1 . . . . 502 ALA N . 6567 1 234 . 1 1 29 29 GLY H H 1 7.945 . . 1 . . . . 503 GLY H . 6567 1 235 . 1 1 29 29 GLY HA2 H 1 3.904 . . 2 . . . . 503 GLY HA2 . 6567 1 236 . 1 1 29 29 GLY HA3 H 1 3.974 . . 2 . . . . 503 GLY HA3 . 6567 1 237 . 1 1 29 29 GLY CA C 13 45.753 . . 1 . . . . 503 GLY CA . 6567 1 238 . 1 1 29 29 GLY N N 15 123.384 . . 1 . . . . 503 GLY N . 6567 1 239 . 1 1 30 30 ILE H H 1 7.632 . . 1 . . . . 504 ILE H . 6567 1 240 . 1 1 30 30 ILE HA H 1 4.171 . . 1 . . . . 504 ILE HA . 6567 1 241 . 1 1 30 30 ILE HB H 1 1.755 . . 1 . . . . 504 ILE HB . 6567 1 242 . 1 1 30 30 ILE HG12 H 1 1.086 . . 2 . . . . 504 ILE HG12 . 6567 1 243 . 1 1 30 30 ILE HG13 H 1 1.407 . . 2 . . . . 504 ILE HG13 . 6567 1 244 . 1 1 30 30 ILE HG21 H 1 0.776 . . 1 . . . . 504 ILE HG2 . 6567 1 245 . 1 1 30 30 ILE HG22 H 1 0.776 . . 1 . . . . 504 ILE HG2 . 6567 1 246 . 1 1 30 30 ILE HG23 H 1 0.776 . . 1 . . . . 504 ILE HG2 . 6567 1 247 . 1 1 30 30 ILE CA C 13 60.942 . . 1 . . . . 504 ILE CA . 6567 1 248 . 1 1 30 30 ILE CB C 13 39.376 . . 1 . . . . 504 ILE CB . 6567 1 249 . 1 1 30 30 ILE CG1 C 13 27.386 . . 1 . . . . 504 ILE CG1 . 6567 1 250 . 1 1 30 30 ILE CG2 C 13 17.539 . . 1 . . . . 504 ILE CG2 . 6567 1 251 . 1 1 30 30 ILE CD1 C 13 13.582 . . 1 . . . . 504 ILE CD1 . 6567 1 252 . 1 1 30 30 ILE N N 15 119.038 . . 1 . . . . 504 ILE N . 6567 1 253 . 1 1 31 31 SER H H 1 8.217 . . 1 . . . . 505 SER H . 6567 1 254 . 1 1 31 31 SER HA H 1 4.441 . . 1 . . . . 505 SER HA . 6567 1 255 . 1 1 31 31 SER HB2 H 1 3.779 . . 1 . . . . 505 SER HB2 . 6567 1 256 . 1 1 31 31 SER HB3 H 1 3.779 . . 1 . . . . 505 SER HB3 . 6567 1 257 . 1 1 31 31 SER CA C 13 58.022 . . 1 . . . . 505 SER CA . 6567 1 258 . 1 1 31 31 SER CB C 13 64.271 . . 1 . . . . 505 SER CB . 6567 1 259 . 1 1 31 31 SER N N 15 120.012 . . 1 . . . . 505 SER N . 6567 1 260 . 1 1 32 32 TYR H H 1 7.762 . . 1 . . . . 506 TYR H . 6567 1 261 . 1 1 32 32 TYR HA H 1 4.372 . . 1 . . . . 506 TYR HA . 6567 1 262 . 1 1 32 32 TYR N N 15 127.020 . . 1 . . . . 506 TYR N . 6567 1 stop_ save_