################################### # 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 27321 _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 '2D 1H-15N HSQC' . . . 27321 1 2 '3D HNCO' . . . 27321 1 3 '3D HN(CA)CO' . . . 27321 1 4 '3D HNCACB' . . . 27321 1 5 '3D CBCA(CO)NH' . . . 27321 1 6 '3D HBHA(CO)NH' . . . 27321 1 7 '3D C(CO)NH-TOCSY' . . . 27321 1 8 '3D 1H-15N NOESY' . . . 27321 1 9 '2D 1H-13C HSQC aliphatic' . . . 27321 1 10 '3D HCCH-TOCSY' . . . 27321 1 11 '3D 1H-13C NOESY aliphatic' . . . 27321 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 2 2 ASP HA H 1 4.594 0.003 . 1 . . . . . 414 ASP HA . 27321 1 2 . 1 1 2 2 ASP HB2 H 1 2.632 0.007 . 2 . . . . . 414 ASP HB2 . 27321 1 3 . 1 1 2 2 ASP HB3 H 1 2.582 0.012 . 2 . . . . . 414 ASP HB3 . 27321 1 4 . 1 1 2 2 ASP C C 13 176.127 . . 1 . . . . . 414 ASP C . 27321 1 5 . 1 1 2 2 ASP CA C 13 54.413 0.073 . 1 . . . . . 414 ASP CA . 27321 1 6 . 1 1 2 2 ASP CB C 13 41.43 0.02 . 1 . . . . . 414 ASP CB . 27321 1 7 . 1 1 3 3 ARG H H 1 8.361 0.002 . 1 . . . . . 415 ARG H . 27321 1 8 . 1 1 3 3 ARG HA H 1 4.291 0.004 . 1 . . . . . 415 ARG HA . 27321 1 9 . 1 1 3 3 ARG HB2 H 1 2.317 . . 2 . . . . . 415 ARG HB2 . 27321 1 10 . 1 1 3 3 ARG C C 13 176.246 0.024 . 1 . . . . . 415 ARG C . 27321 1 11 . 1 1 3 3 ARG CA C 13 55.916 0.008 . 1 . . . . . 415 ARG CA . 27321 1 12 . 1 1 3 3 ARG CB C 13 30.991 0.031 . 1 . . . . . 415 ARG CB . 27321 1 13 . 1 1 3 3 ARG CG C 13 26.899 . . 1 . . . . . 415 ARG CG . 27321 1 14 . 1 1 3 3 ARG N N 15 120.422 0.009 . 1 . . . . . 415 ARG N . 27321 1 15 . 1 1 4 4 GLY H H 1 8.232 0.002 . 1 . . . . . 416 GLY H . 27321 1 16 . 1 1 4 4 GLY C C 13 172.093 . . 1 . . . . . 416 GLY C . 27321 1 17 . 1 1 4 4 GLY CA C 13 44.628 . . 1 . . . . . 416 GLY CA . 27321 1 18 . 1 1 4 4 GLY N N 15 109.9 0.01 . 1 . . . . . 416 GLY N . 27321 1 19 . 1 1 5 5 PRO HA H 1 4.304 0.006 . 1 . . . . . 417 PRO HA . 27321 1 20 . 1 1 5 5 PRO HB2 H 1 1.761 0.022 . 2 . . . . . 417 PRO HB2 . 27321 1 21 . 1 1 5 5 PRO HB3 H 1 2.183 0.025 . 2 . . . . . 417 PRO HB3 . 27321 1 22 . 1 1 5 5 PRO HD2 H 1 3.661 0.007 . 2 . . . . . 417 PRO HD2 . 27321 1 23 . 1 1 5 5 PRO C C 13 177.316 0.012 . 1 . . . . . 417 PRO C . 27321 1 24 . 1 1 5 5 PRO CA C 13 63.658 0.011 . 1 . . . . . 417 PRO CA . 27321 1 25 . 1 1 5 5 PRO CB C 13 32.009 0.045 . 1 . . . . . 417 PRO CB . 27321 1 26 . 1 1 5 5 PRO CG C 13 27.213 . . 1 . . . . . 417 PRO CG . 27321 1 27 . 1 1 5 5 PRO CD C 13 49.834 0.059 . 1 . . . . . 417 PRO CD . 27321 1 28 . 1 1 6 6 GLU H H 1 8.72 0.001 . 1 . . . . . 418 GLU H . 27321 1 29 . 1 1 6 6 GLU HA H 1 4.119 0.015 . 1 . . . . . 418 GLU HA . 27321 1 30 . 1 1 6 6 GLU HB2 H 1 1.814 0.013 . 2 . . . . . 418 GLU HB2 . 27321 1 31 . 1 1 6 6 GLU HB3 H 1 1.867 0.009 . 2 . . . . . 418 GLU HB3 . 27321 1 32 . 1 1 6 6 GLU HG2 H 1 2.022 0.012 . 2 . . . . . 418 GLU HG2 . 27321 1 33 . 1 1 6 6 GLU HG3 H 1 2.143 0.006 . 2 . . . . . 418 GLU HG3 . 27321 1 34 . 1 1 6 6 GLU C C 13 176.352 0.011 . 1 . . . . . 418 GLU C . 27321 1 35 . 1 1 6 6 GLU CA C 13 57.173 0.052 . 1 . . . . . 418 GLU CA . 27321 1 36 . 1 1 6 6 GLU CB C 13 29.536 0.027 . 1 . . . . . 418 GLU CB . 27321 1 37 . 1 1 6 6 GLU CG C 13 36.208 0.03 . 1 . . . . . 418 GLU CG . 27321 1 38 . 1 1 6 6 GLU N N 15 120.112 0.008 . 1 . . . . . 418 GLU N . 27321 1 39 . 1 1 7 7 PHE H H 1 7.884 0.002 . 1 . . . . . 419 PHE H . 27321 1 40 . 1 1 7 7 PHE HA H 1 4.529 0.016 . 1 . . . . . 419 PHE HA . 27321 1 41 . 1 1 7 7 PHE HB2 H 1 3.126 0.019 . 2 . . . . . 419 PHE HB2 . 27321 1 42 . 1 1 7 7 PHE HB3 H 1 2.94 0.017 . 2 . . . . . 419 PHE HB3 . 27321 1 43 . 1 1 7 7 PHE C C 13 175.652 0.011 . 1 . . . . . 419 PHE C . 27321 1 44 . 1 1 7 7 PHE CA C 13 57.894 0.086 . 1 . . . . . 419 PHE CA . 27321 1 45 . 1 1 7 7 PHE CB C 13 39.747 0.03 . 1 . . . . . 419 PHE CB . 27321 1 46 . 1 1 7 7 PHE N N 15 119.421 0.004 . 1 . . . . . 419 PHE N . 27321 1 47 . 1 1 8 8 GLU H H 1 8.1 0.001 . 1 . . . . . 420 GLU H . 27321 1 48 . 1 1 8 8 GLU HA H 1 4.236 0.013 . 1 . . . . . 420 GLU HA . 27321 1 49 . 1 1 8 8 GLU HB2 H 1 1.873 0.02 . 2 . . . . . 420 GLU HB2 . 27321 1 50 . 1 1 8 8 GLU HB3 H 1 2.006 0.024 . 2 . . . . . 420 GLU HB3 . 27321 1 51 . 1 1 8 8 GLU HG2 H 1 2.204 0.007 . 2 . . . . . 420 GLU HG2 . 27321 1 52 . 1 1 8 8 GLU C C 13 176.235 0.01 . 1 . . . . . 420 GLU C . 27321 1 53 . 1 1 8 8 GLU CA C 13 56.498 0.039 . 1 . . . . . 420 GLU CA . 27321 1 54 . 1 1 8 8 GLU CB C 13 30.338 0.039 . 1 . . . . . 420 GLU CB . 27321 1 55 . 1 1 8 8 GLU CG C 13 36.306 0.054 . 1 . . . . . 420 GLU CG . 27321 1 56 . 1 1 8 8 GLU N N 15 121.594 0.007 . 1 . . . . . 420 GLU N . 27321 1 57 . 1 1 9 9 LEU H H 1 8.118 0.002 . 1 . . . . . 421 LEU H . 27321 1 58 . 1 1 9 9 LEU HA H 1 4.253 0.041 . 1 . . . . . 421 LEU HA . 27321 1 59 . 1 1 9 9 LEU HB2 H 1 1.575 0.009 . 2 . . . . . 421 LEU HB2 . 27321 1 60 . 1 1 9 9 LEU C C 13 177.903 0.011 . 1 . . . . . 421 LEU C . 27321 1 61 . 1 1 9 9 LEU CA C 13 55.57 0.017 . 1 . . . . . 421 LEU CA . 27321 1 62 . 1 1 9 9 LEU CB C 13 42.334 0.011 . 1 . . . . . 421 LEU CB . 27321 1 63 . 1 1 9 9 LEU CG C 13 26.95 . . 1 . . . . . 421 LEU CG . 27321 1 64 . 1 1 9 9 LEU CD1 C 13 24.978 . . 2 . . . . . 421 LEU CD1 . 27321 1 65 . 1 1 9 9 LEU CD2 C 13 23.544 . . 2 . . . . . 421 LEU CD2 . 27321 1 66 . 1 1 9 9 LEU N N 15 122.696 0.009 . 1 . . . . . 421 LEU N . 27321 1 67 . 1 1 10 10 GLY H H 1 8.306 0.004 . 1 . . . . . 422 GLY H . 27321 1 68 . 1 1 10 10 GLY HA2 H 1 3.917 0.004 . 2 . . . . . 422 GLY HA2 . 27321 1 69 . 1 1 10 10 GLY C C 13 174.173 0.014 . 1 . . . . . 422 GLY C . 27321 1 70 . 1 1 10 10 GLY CA C 13 45.326 0.045 . 1 . . . . . 422 GLY CA . 27321 1 71 . 1 1 10 10 GLY N N 15 108.931 0.005 . 1 . . . . . 422 GLY N . 27321 1 72 . 1 1 11 11 THR H H 1 7.836 0.002 . 1 . . . . . 423 THR H . 27321 1 73 . 1 1 11 11 THR HA H 1 4.302 0.02 . 1 . . . . . 423 THR HA . 27321 1 74 . 1 1 11 11 THR HB H 1 4.153 0.013 . 1 . . . . . 423 THR HB . 27321 1 75 . 1 1 11 11 THR C C 13 174.212 0.019 . 1 . . . . . 423 THR C . 27321 1 76 . 1 1 11 11 THR CA C 13 61.568 0.047 . 1 . . . . . 423 THR CA . 27321 1 77 . 1 1 11 11 THR CB C 13 69.808 0.047 . 1 . . . . . 423 THR CB . 27321 1 78 . 1 1 11 11 THR CG2 C 13 21.709 0.016 . 1 . . . . . 423 THR CG2 . 27321 1 79 . 1 1 11 11 THR N N 15 113.071 0.013 . 1 . . . . . 423 THR N . 27321 1 80 . 1 1 12 12 LEU H H 1 8.093 0.002 . 1 . . . . . 424 LEU H . 27321 1 81 . 1 1 12 12 LEU HA H 1 4.59 0.005 . 1 . . . . . 424 LEU HA . 27321 1 82 . 1 1 12 12 LEU HB2 H 1 1.656 . . 2 . . . . . 424 LEU HB2 . 27321 1 83 . 1 1 12 12 LEU HB3 H 1 1.577 . . 2 . . . . . 424 LEU HB3 . 27321 1 84 . 1 1 12 12 LEU HG H 1 1.528 . . 1 . . . . . 424 LEU HG . 27321 1 85 . 1 1 12 12 LEU C C 13 174.974 . . 1 . . . . . 424 LEU C . 27321 1 86 . 1 1 12 12 LEU CA C 13 52.955 0.052 . 1 . . . . . 424 LEU CA . 27321 1 87 . 1 1 12 12 LEU CB C 13 41.824 . . 1 . . . . . 424 LEU CB . 27321 1 88 . 1 1 12 12 LEU N N 15 125.621 0.007 . 1 . . . . . 424 LEU N . 27321 1 89 . 1 1 13 13 PRO HA H 1 4.315 0.006 . 1 . . . . . 425 PRO HA . 27321 1 90 . 1 1 13 13 PRO HB2 H 1 2.169 . . 2 . . . . . 425 PRO HB2 . 27321 1 91 . 1 1 13 13 PRO HB3 H 1 1.808 . . 2 . . . . . 425 PRO HB3 . 27321 1 92 . 1 1 13 13 PRO HD2 H 1 3.714 0.002 . 2 . . . . . 425 PRO HD2 . 27321 1 93 . 1 1 13 13 PRO C C 13 176.368 0.003 . 1 . . . . . 425 PRO C . 27321 1 94 . 1 1 13 13 PRO CA C 13 62.856 0.02 . 1 . . . . . 425 PRO CA . 27321 1 95 . 1 1 13 13 PRO CB C 13 31.96 . . 1 . . . . . 425 PRO CB . 27321 1 96 . 1 1 13 13 PRO CG C 13 27.357 . . 1 . . . . . 425 PRO CG . 27321 1 97 . 1 1 13 13 PRO CD C 13 50.436 0.022 . 1 . . . . . 425 PRO CD . 27321 1 98 . 1 1 14 14 ARG H H 1 8.212 0.002 . 1 . . . . . 426 ARG H . 27321 1 99 . 1 1 14 14 ARG HA H 1 4.246 0.002 . 1 . . . . . 426 ARG HA . 27321 1 100 . 1 1 14 14 ARG HB2 H 1 1.683 . . 2 . . . . . 426 ARG HB2 . 27321 1 101 . 1 1 14 14 ARG C C 13 175.719 0.011 . 1 . . . . . 426 ARG C . 27321 1 102 . 1 1 14 14 ARG CA C 13 55.495 0.013 . 1 . . . . . 426 ARG CA . 27321 1 103 . 1 1 14 14 ARG CB C 13 31.433 0.048 . 1 . . . . . 426 ARG CB . 27321 1 104 . 1 1 14 14 ARG CG C 13 26.949 . . 1 . . . . . 426 ARG CG . 27321 1 105 . 1 1 14 14 ARG CD C 13 43.332 . . 1 . . . . . 426 ARG CD . 27321 1 106 . 1 1 14 14 ARG N N 15 121.211 0.014 . 1 . . . . . 426 ARG N . 27321 1 107 . 1 1 15 15 ASP H H 1 8.455 0.002 . 1 . . . . . 427 ASP H . 27321 1 108 . 1 1 15 15 ASP HA H 1 4.813 0.003 . 1 . . . . . 427 ASP HA . 27321 1 109 . 1 1 15 15 ASP HB2 H 1 2.488 0.006 . 2 . . . . . 427 ASP HB2 . 27321 1 110 . 1 1 15 15 ASP HB3 H 1 2.746 0.004 . 2 . . . . . 427 ASP HB3 . 27321 1 111 . 1 1 15 15 ASP C C 13 174.812 . . 1 . . . . . 427 ASP C . 27321 1 112 . 1 1 15 15 ASP CA C 13 52.528 0.013 . 1 . . . . . 427 ASP CA . 27321 1 113 . 1 1 15 15 ASP CB C 13 41.106 0.027 . 1 . . . . . 427 ASP CB . 27321 1 114 . 1 1 15 15 ASP N N 15 123.777 0.008 . 1 . . . . . 427 ASP N . 27321 1 115 . 1 1 16 16 PRO HA H 1 4.267 0.005 . 1 . . . . . 428 PRO HA . 27321 1 116 . 1 1 16 16 PRO HB2 H 1 2.201 0.016 . 2 . . . . . 428 PRO HB2 . 27321 1 117 . 1 1 16 16 PRO HB3 H 1 1.858 0.01 . 2 . . . . . 428 PRO HB3 . 27321 1 118 . 1 1 16 16 PRO HD2 H 1 3.847 0.003 . 2 . . . . . 428 PRO HD2 . 27321 1 119 . 1 1 16 16 PRO C C 13 177.196 0.013 . 1 . . . . . 428 PRO C . 27321 1 120 . 1 1 16 16 PRO CA C 13 63.807 0.025 . 1 . . . . . 428 PRO CA . 27321 1 121 . 1 1 16 16 PRO CB C 13 32.088 0.027 . 1 . . . . . 428 PRO CB . 27321 1 122 . 1 1 16 16 PRO CG C 13 27.392 . . 1 . . . . . 428 PRO CG . 27321 1 123 . 1 1 16 16 PRO CD C 13 50.721 0.017 . 1 . . . . . 428 PRO CD . 27321 1 124 . 1 1 17 17 GLU H H 1 8.513 0.002 . 1 . . . . . 429 GLU H . 27321 1 125 . 1 1 17 17 GLU HA H 1 4.198 0.031 . 1 . . . . . 429 GLU HA . 27321 1 126 . 1 1 17 17 GLU HB2 H 1 1.982 . . 2 . . . . . 429 GLU HB2 . 27321 1 127 . 1 1 17 17 GLU HB3 H 1 1.845 . . 2 . . . . . 429 GLU HB3 . 27321 1 128 . 1 1 17 17 GLU C C 13 176.218 0.012 . 1 . . . . . 429 GLU C . 27321 1 129 . 1 1 17 17 GLU CA C 13 56.718 0.06 . 1 . . . . . 429 GLU CA . 27321 1 130 . 1 1 17 17 GLU CB C 13 29.994 0.019 . 1 . . . . . 429 GLU CB . 27321 1 131 . 1 1 17 17 GLU CG C 13 36.547 . . 1 . . . . . 429 GLU CG . 27321 1 132 . 1 1 17 17 GLU N N 15 118.988 0.02 . 1 . . . . . 429 GLU N . 27321 1 133 . 1 1 18 18 ASP H H 1 8.063 0.002 . 1 . . . . . 430 ASP H . 27321 1 134 . 1 1 18 18 ASP HA H 1 4.586 0.017 . 1 . . . . . 430 ASP HA . 27321 1 135 . 1 1 18 18 ASP HB2 H 1 2.726 0.032 . 2 . . . . . 430 ASP HB2 . 27321 1 136 . 1 1 18 18 ASP HB3 H 1 2.598 0.02 . 2 . . . . . 430 ASP HB3 . 27321 1 137 . 1 1 18 18 ASP C C 13 176.012 0.01 . 1 . . . . . 430 ASP C . 27321 1 138 . 1 1 18 18 ASP CA C 13 54.161 0.018 . 1 . . . . . 430 ASP CA . 27321 1 139 . 1 1 18 18 ASP CB C 13 41.141 0.038 . 1 . . . . . 430 ASP CB . 27321 1 140 . 1 1 18 18 ASP N N 15 120.431 0.008 . 1 . . . . . 430 ASP N . 27321 1 141 . 1 1 19 19 LEU H H 1 7.967 0.002 . 1 . . . . . 431 LEU H . 27321 1 142 . 1 1 19 19 LEU HA H 1 4.287 0.024 . 1 . . . . . 431 LEU HA . 27321 1 143 . 1 1 19 19 LEU HB2 H 1 1.561 0.044 . 2 . . . . . 431 LEU HB2 . 27321 1 144 . 1 1 19 19 LEU HG H 1 1.56 . . 1 . . . . . 431 LEU HG . 27321 1 145 . 1 1 19 19 LEU C C 13 177.495 0.013 . 1 . . . . . 431 LEU C . 27321 1 146 . 1 1 19 19 LEU CA C 13 55.055 0.03 . 1 . . . . . 431 LEU CA . 27321 1 147 . 1 1 19 19 LEU CB C 13 42.436 0.027 . 1 . . . . . 431 LEU CB . 27321 1 148 . 1 1 19 19 LEU CG C 13 26.827 . . 1 . . . . . 431 LEU CG . 27321 1 149 . 1 1 19 19 LEU CD1 C 13 25.115 . . 2 . . . . . 431 LEU CD1 . 27321 1 150 . 1 1 19 19 LEU CD2 C 13 23.354 . . 2 . . . . . 431 LEU CD2 . 27321 1 151 . 1 1 19 19 LEU N N 15 122.16 0.018 . 1 . . . . . 431 LEU N . 27321 1 152 . 1 1 20 20 GLU H H 1 8.282 0.002 . 1 . . . . . 432 GLU H . 27321 1 153 . 1 1 20 20 GLU HA H 1 4.232 0.025 . 1 . . . . . 432 GLU HA . 27321 1 154 . 1 1 20 20 GLU HB2 H 1 1.918 . . 2 . . . . . 432 GLU HB2 . 27321 1 155 . 1 1 20 20 GLU C C 13 176.048 0.012 . 1 . . . . . 432 GLU C . 27321 1 156 . 1 1 20 20 GLU CA C 13 56.669 0.101 . 1 . . . . . 432 GLU CA . 27321 1 157 . 1 1 20 20 GLU CB C 13 30.225 0.018 . 1 . . . . . 432 GLU CB . 27321 1 158 . 1 1 20 20 GLU CG C 13 36.221 . . 1 . . . . . 432 GLU CG . 27321 1 159 . 1 1 20 20 GLU N N 15 120.901 0.007 . 1 . . . . . 432 GLU N . 27321 1 160 . 1 1 21 21 ASP H H 1 8.237 0.003 . 1 . . . . . 433 ASP H . 27321 1 161 . 1 1 21 21 ASP HA H 1 4.638 0.018 . 1 . . . . . 433 ASP HA . 27321 1 162 . 1 1 21 21 ASP HB2 H 1 2.6 0.011 . 2 . . . . . 433 ASP HB2 . 27321 1 163 . 1 1 21 21 ASP HB3 H 1 2.651 0.015 . 2 . . . . . 433 ASP HB3 . 27321 1 164 . 1 1 21 21 ASP C C 13 176.192 0.012 . 1 . . . . . 433 ASP C . 27321 1 165 . 1 1 21 21 ASP CA C 13 54.046 0.035 . 1 . . . . . 433 ASP CA . 27321 1 166 . 1 1 21 21 ASP CB C 13 41.391 0.04 . 1 . . . . . 433 ASP CB . 27321 1 167 . 1 1 21 21 ASP N N 15 120.667 0.023 . 1 . . . . . 433 ASP N . 27321 1 168 . 1 1 22 22 GLY H H 1 7.969 0.002 . 1 . . . . . 434 GLY H . 27321 1 169 . 1 1 22 22 GLY HA2 H 1 4.06 0.005 . 2 . . . . . 434 GLY HA2 . 27321 1 170 . 1 1 22 22 GLY C C 13 172.278 . . 1 . . . . . 434 GLY C . 27321 1 171 . 1 1 22 22 GLY CA C 13 44.875 0.033 . 1 . . . . . 434 GLY CA . 27321 1 172 . 1 1 22 22 GLY N N 15 108.462 0.008 . 1 . . . . . 434 GLY N . 27321 1 173 . 1 1 23 23 PRO HA H 1 4.367 0.015 . 1 . . . . . 435 PRO HA . 27321 1 174 . 1 1 23 23 PRO HB2 H 1 2.268 0.024 . 2 . . . . . 435 PRO HB2 . 27321 1 175 . 1 1 23 23 PRO HB3 H 1 1.924 0.022 . 2 . . . . . 435 PRO HB3 . 27321 1 176 . 1 1 23 23 PRO HG2 H 1 1.953 0.033 . 2 . . . . . 435 PRO HG2 . 27321 1 177 . 1 1 23 23 PRO HD2 H 1 3.593 0.005 . 2 . . . . . 435 PRO HD2 . 27321 1 178 . 1 1 23 23 PRO HD3 H 1 3.768 . . 2 . . . . . 435 PRO HD3 . 27321 1 179 . 1 1 23 23 PRO C C 13 177.369 0.012 . 1 . . . . . 435 PRO C . 27321 1 180 . 1 1 23 23 PRO CA C 13 63.702 0.042 . 1 . . . . . 435 PRO CA . 27321 1 181 . 1 1 23 23 PRO CB C 13 32.051 0.031 . 1 . . . . . 435 PRO CB . 27321 1 182 . 1 1 23 23 PRO CG C 13 27.202 . . 1 . . . . . 435 PRO CG . 27321 1 183 . 1 1 23 23 PRO CD C 13 49.803 0.031 . 1 . . . . . 435 PRO CD . 27321 1 184 . 1 1 24 24 CYS H H 1 8.418 0.001 . 1 . . . . . 436 CYS H . 27321 1 185 . 1 1 24 24 CYS HA H 1 4.422 0.013 . 1 . . . . . 436 CYS HA . 27321 1 186 . 1 1 24 24 CYS HB2 H 1 2.844 0.006 . 2 . . . . . 436 CYS HB2 . 27321 1 187 . 1 1 24 24 CYS HB3 H 1 2.948 0.007 . 2 . . . . . 436 CYS HB3 . 27321 1 188 . 1 1 24 24 CYS C C 13 175.165 0.017 . 1 . . . . . 436 CYS C . 27321 1 189 . 1 1 24 24 CYS CA C 13 58.69 0.052 . 1 . . . . . 436 CYS CA . 27321 1 190 . 1 1 24 24 CYS CB C 13 27.669 0.062 . 1 . . . . . 436 CYS CB . 27321 1 191 . 1 1 24 24 CYS N N 15 117.978 0.007 . 1 . . . . . 436 CYS N . 27321 1 192 . 1 1 25 25 GLY H H 1 8.197 0.002 . 1 . . . . . 437 GLY H . 27321 1 193 . 1 1 25 25 GLY HA2 H 1 3.863 0.011 . 2 . . . . . 437 GLY HA2 . 27321 1 194 . 1 1 25 25 GLY C C 13 173.998 0.02 . 1 . . . . . 437 GLY C . 27321 1 195 . 1 1 25 25 GLY CA C 13 45.365 0.142 . 1 . . . . . 437 GLY CA . 27321 1 196 . 1 1 25 25 GLY N N 15 110.219 0.01 . 1 . . . . . 437 GLY N . 27321 1 197 . 1 1 26 26 HIS H H 1 8.184 0.015 . 1 . . . . . 438 HIS H . 27321 1 198 . 1 1 26 26 HIS C C 13 175.3 . . 1 . . . . . 438 HIS C . 27321 1 199 . 1 1 26 26 HIS CA C 13 56.164 . . 1 . . . . . 438 HIS CA . 27321 1 200 . 1 1 26 26 HIS CB C 13 30.312 . . 1 . . . . . 438 HIS CB . 27321 1 201 . 1 1 26 26 HIS N N 15 119.066 0.131 . 1 . . . . . 438 HIS N . 27321 1 202 . 1 1 32 32 GLY H H 1 8.262 0.002 . 1 . . . . . 444 GLY H . 27321 1 203 . 1 1 32 32 GLY N N 15 108.63 0.018 . 1 . . . . . 444 GLY N . 27321 1 204 . 1 1 37 37 GLY HA2 H 1 3.888 0.017 . 2 . . . . . 449 GLY HA2 . 27321 1 205 . 1 1 37 37 GLY C C 13 173.935 0.009 . 1 . . . . . 449 GLY C . 27321 1 206 . 1 1 37 37 GLY CA C 13 45.239 0.076 . 1 . . . . . 449 GLY CA . 27321 1 207 . 1 1 38 38 VAL H H 1 7.922 0.002 . 1 . . . . . 450 VAL H . 27321 1 208 . 1 1 38 38 VAL HA H 1 4.136 0.023 . 1 . . . . . 450 VAL HA . 27321 1 209 . 1 1 38 38 VAL HB H 1 2.046 0.018 . 1 . . . . . 450 VAL HB . 27321 1 210 . 1 1 38 38 VAL C C 13 176.056 0.011 . 1 . . . . . 450 VAL C . 27321 1 211 . 1 1 38 38 VAL CA C 13 62.067 0.045 . 1 . . . . . 450 VAL CA . 27321 1 212 . 1 1 38 38 VAL CB C 13 32.853 0.06 . 1 . . . . . 450 VAL CB . 27321 1 213 . 1 1 38 38 VAL CG1 C 13 21.192 0.06 . 2 . . . . . 450 VAL CG1 . 27321 1 214 . 1 1 38 38 VAL CG2 C 13 20.478 0.052 . 2 . . . . . 450 VAL CG2 . 27321 1 215 . 1 1 38 38 VAL N N 15 119.048 0.007 . 1 . . . . . 450 VAL N . 27321 1 216 . 1 1 39 39 SER H H 1 8.297 0.001 . 1 . . . . . 451 SER H . 27321 1 217 . 1 1 39 39 SER HA H 1 4.373 0.004 . 1 . . . . . 451 SER HA . 27321 1 218 . 1 1 39 39 SER HB2 H 1 3.768 0.009 . 2 . . . . . 451 SER HB2 . 27321 1 219 . 1 1 39 39 SER C C 13 174.371 0.01 . 1 . . . . . 451 SER C . 27321 1 220 . 1 1 39 39 SER CA C 13 58.148 0.035 . 1 . . . . . 451 SER CA . 27321 1 221 . 1 1 39 39 SER CB C 13 63.68 0.072 . 1 . . . . . 451 SER CB . 27321 1 222 . 1 1 39 39 SER N N 15 119.217 0.009 . 1 . . . . . 451 SER N . 27321 1 223 . 1 1 40 40 LEU H H 1 8.193 0.002 . 1 . . . . . 452 LEU H . 27321 1 224 . 1 1 40 40 LEU HA H 1 4.301 0.018 . 1 . . . . . 452 LEU HA . 27321 1 225 . 1 1 40 40 LEU HB2 H 1 1.523 0.022 . 2 . . . . . 452 LEU HB2 . 27321 1 226 . 1 1 40 40 LEU HB3 H 1 1.566 0.003 . 2 . . . . . 452 LEU HB3 . 27321 1 227 . 1 1 40 40 LEU HG H 1 1.574 0.002 . 1 . . . . . 452 LEU HG . 27321 1 228 . 1 1 40 40 LEU C C 13 176.931 0.011 . 1 . . . . . 452 LEU C . 27321 1 229 . 1 1 40 40 LEU CA C 13 55.11 0.047 . 1 . . . . . 452 LEU CA . 27321 1 230 . 1 1 40 40 LEU CB C 13 42.333 0.061 . 1 . . . . . 452 LEU CB . 27321 1 231 . 1 1 40 40 LEU CG C 13 27.054 0.045 . 1 . . . . . 452 LEU CG . 27321 1 232 . 1 1 40 40 LEU CD1 C 13 24.995 0.081 . 2 . . . . . 452 LEU CD1 . 27321 1 233 . 1 1 40 40 LEU CD2 C 13 23.491 0.016 . 2 . . . . . 452 LEU CD2 . 27321 1 234 . 1 1 40 40 LEU N N 15 124.399 0.006 . 1 . . . . . 452 LEU N . 27321 1 235 . 1 1 41 41 GLN H H 1 8.221 0.002 . 1 . . . . . 453 GLN H . 27321 1 236 . 1 1 41 41 GLN HA H 1 4.284 0.02 . 1 . . . . . 453 GLN HA . 27321 1 237 . 1 1 41 41 GLN HB2 H 1 1.881 0.046 . 2 . . . . . 453 GLN HB2 . 27321 1 238 . 1 1 41 41 GLN HB3 H 1 2.014 0.051 . 2 . . . . . 453 GLN HB3 . 27321 1 239 . 1 1 41 41 GLN HG2 H 1 2.288 0.04 . 2 . . . . . 453 GLN HG2 . 27321 1 240 . 1 1 41 41 GLN HG3 H 1 2.288 0.04 . 2 . . . . . 453 GLN HG3 . 27321 1 241 . 1 1 41 41 GLN C C 13 175.426 0.011 . 1 . . . . . 453 GLN C . 27321 1 242 . 1 1 41 41 GLN CA C 13 55.583 0.106 . 1 . . . . . 453 GLN CA . 27321 1 243 . 1 1 41 41 GLN CB C 13 29.403 0.118 . 1 . . . . . 453 GLN CB . 27321 1 244 . 1 1 41 41 GLN CG C 13 33.766 0.039 . 1 . . . . . 453 GLN CG . 27321 1 245 . 1 1 41 41 GLN N N 15 120.819 0.013 . 1 . . . . . 453 GLN N . 27321 1 246 . 1 1 42 42 LEU H H 1 8.06 0.001 . 1 . . . . . 454 LEU H . 27321 1 247 . 1 1 42 42 LEU HA H 1 4.327 0.023 . 1 . . . . . 454 LEU HA . 27321 1 248 . 1 1 42 42 LEU HB2 H 1 1.534 0.019 . 2 . . . . . 454 LEU HB2 . 27321 1 249 . 1 1 42 42 LEU C C 13 176.501 0.01 . 1 . . . . . 454 LEU C . 27321 1 250 . 1 1 42 42 LEU CA C 13 54.582 0.049 . 1 . . . . . 454 LEU CA . 27321 1 251 . 1 1 42 42 LEU CB C 13 42.451 0.113 . 1 . . . . . 454 LEU CB . 27321 1 252 . 1 1 42 42 LEU CG C 13 26.903 . . 1 . . . . . 454 LEU CG . 27321 1 253 . 1 1 42 42 LEU CD1 C 13 25.089 . . 2 . . . . . 454 LEU CD1 . 27321 1 254 . 1 1 42 42 LEU CD2 C 13 23.41 . . 2 . . . . . 454 LEU CD2 . 27321 1 255 . 1 1 42 42 LEU N N 15 123.362 0.007 . 1 . . . . . 454 LEU N . 27321 1 256 . 1 1 43 43 ALA H H 1 8.268 0.002 . 1 . . . . . 455 ALA H . 27321 1 257 . 1 1 43 43 ALA HA H 1 4.555 0.002 . 1 . . . . . 455 ALA HA . 27321 1 258 . 1 1 43 43 ALA C C 13 175.53 . . 1 . . . . . 455 ALA C . 27321 1 259 . 1 1 43 43 ALA CA C 13 50.373 0.017 . 1 . . . . . 455 ALA CA . 27321 1 260 . 1 1 43 43 ALA CB C 13 18.163 0.018 . 1 . . . . . 455 ALA CB . 27321 1 261 . 1 1 43 43 ALA N N 15 125.786 0.006 . 1 . . . . . 455 ALA N . 27321 1 262 . 1 1 44 44 PRO HA H 1 4.356 0.013 . 1 . . . . . 456 PRO HA . 27321 1 263 . 1 1 44 44 PRO HB2 H 1 2.293 0.02 . 2 . . . . . 456 PRO HB2 . 27321 1 264 . 1 1 44 44 PRO HB3 H 1 1.847 0.006 . 2 . . . . . 456 PRO HB3 . 27321 1 265 . 1 1 44 44 PRO HG2 H 1 1.991 0.002 . 2 . . . . . 456 PRO HG2 . 27321 1 266 . 1 1 44 44 PRO HD2 H 1 3.584 0.011 . 2 . . . . . 456 PRO HD2 . 27321 1 267 . 1 1 44 44 PRO HD3 H 1 3.8 0.001 . 2 . . . . . 456 PRO HD3 . 27321 1 268 . 1 1 44 44 PRO C C 13 177.299 0.013 . 1 . . . . . 456 PRO C . 27321 1 269 . 1 1 44 44 PRO CA C 13 63.602 0.091 . 1 . . . . . 456 PRO CA . 27321 1 270 . 1 1 44 44 PRO CB C 13 32.018 0.034 . 1 . . . . . 456 PRO CB . 27321 1 271 . 1 1 44 44 PRO CG C 13 27.422 0.072 . 1 . . . . . 456 PRO CG . 27321 1 272 . 1 1 44 44 PRO CD C 13 50.527 0.049 . 1 . . . . . 456 PRO CD . 27321 1 273 . 1 1 45 45 SER H H 1 8.224 0.002 . 1 . . . . . 457 SER H . 27321 1 274 . 1 1 45 45 SER HA H 1 4.279 0.015 . 1 . . . . . 457 SER HA . 27321 1 275 . 1 1 45 45 SER HB2 H 1 3.809 0.007 . 2 . . . . . 457 SER HB2 . 27321 1 276 . 1 1 45 45 SER HB3 H 1 3.889 0.011 . 2 . . . . . 457 SER HB3 . 27321 1 277 . 1 1 45 45 SER C C 13 174.912 0.008 . 1 . . . . . 457 SER C . 27321 1 278 . 1 1 45 45 SER CA C 13 58.993 0.039 . 1 . . . . . 457 SER CA . 27321 1 279 . 1 1 45 45 SER CB C 13 63.503 0.138 . 1 . . . . . 457 SER CB . 27321 1 280 . 1 1 45 45 SER N N 15 114.78 0.011 . 1 . . . . . 457 SER N . 27321 1 281 . 1 1 46 46 GLU H H 1 8.355 0.003 . 1 . . . . . 458 GLU H . 27321 1 282 . 1 1 46 46 GLU HA H 1 4.257 0.017 . 1 . . . . . 458 GLU HA . 27321 1 283 . 1 1 46 46 GLU HB2 H 1 1.965 0.015 . 2 . . . . . 458 GLU HB2 . 27321 1 284 . 1 1 46 46 GLU HB3 H 1 2.059 0.003 . 2 . . . . . 458 GLU HB3 . 27321 1 285 . 1 1 46 46 GLU HG2 H 1 2.204 0.021 . 2 . . . . . 458 GLU HG2 . 27321 1 286 . 1 1 46 46 GLU C C 13 176.26 0.015 . 1 . . . . . 458 GLU C . 27321 1 287 . 1 1 46 46 GLU CA C 13 56.661 0.101 . 1 . . . . . 458 GLU CA . 27321 1 288 . 1 1 46 46 GLU CB C 13 30.172 0.065 . 1 . . . . . 458 GLU CB . 27321 1 289 . 1 1 46 46 GLU CG C 13 36.331 0.049 . 1 . . . . . 458 GLU CG . 27321 1 290 . 1 1 46 46 GLU N N 15 122.141 0.013 . 1 . . . . . 458 GLU N . 27321 1 291 . 1 1 47 47 LEU H H 1 7.951 0.003 . 1 . . . . . 459 LEU H . 27321 1 292 . 1 1 47 47 LEU HA H 1 4.249 0.005 . 1 . . . . . 459 LEU HA . 27321 1 293 . 1 1 47 47 LEU HB2 H 1 1.572 0.021 . 2 . . . . . 459 LEU HB2 . 27321 1 294 . 1 1 47 47 LEU C C 13 177.032 0.016 . 1 . . . . . 459 LEU C . 27321 1 295 . 1 1 47 47 LEU CA C 13 55.116 0.015 . 1 . . . . . 459 LEU CA . 27321 1 296 . 1 1 47 47 LEU CB C 13 42.005 0.187 . 1 . . . . . 459 LEU CB . 27321 1 297 . 1 1 47 47 LEU CG C 13 26.969 . . 1 . . . . . 459 LEU CG . 27321 1 298 . 1 1 47 47 LEU CD1 C 13 23.586 . . 2 . . . . . 459 LEU CD1 . 27321 1 299 . 1 1 47 47 LEU CD2 C 13 24.946 . . 2 . . . . . 459 LEU CD2 . 27321 1 300 . 1 1 47 47 LEU N N 15 121.969 0.016 . 1 . . . . . 459 LEU N . 27321 1 301 . 1 1 48 48 ARG H H 1 8.085 0.003 . 1 . . . . . 460 ARG H . 27321 1 302 . 1 1 48 48 ARG HA H 1 4.302 0.015 . 1 . . . . . 460 ARG HA . 27321 1 303 . 1 1 48 48 ARG HB2 H 1 1.716 0.01 . 2 . . . . . 460 ARG HB2 . 27321 1 304 . 1 1 48 48 ARG HB3 H 1 1.802 0.006 . 2 . . . . . 460 ARG HB3 . 27321 1 305 . 1 1 48 48 ARG HG2 H 1 1.568 0.012 . 2 . . . . . 460 ARG HG2 . 27321 1 306 . 1 1 48 48 ARG HD2 H 1 3.144 0.006 . 2 . . . . . 460 ARG HD2 . 27321 1 307 . 1 1 48 48 ARG C C 13 175.725 0.023 . 1 . . . . . 460 ARG C . 27321 1 308 . 1 1 48 48 ARG CA C 13 55.978 . . 1 . . . . . 460 ARG CA . 27321 1 309 . 1 1 48 48 ARG CB C 13 30.702 0.067 . 1 . . . . . 460 ARG CB . 27321 1 310 . 1 1 48 48 ARG CG C 13 27.118 0.07 . 1 . . . . . 460 ARG CG . 27321 1 311 . 1 1 48 48 ARG CD C 13 43.181 0.07 . 1 . . . . . 460 ARG CD . 27321 1 312 . 1 1 48 48 ARG N N 15 121.339 0.02 . 1 . . . . . 460 ARG N . 27321 1 313 . 1 1 49 49 GLN H H 1 8.191 0.005 . 1 . . . . . 461 GLN H . 27321 1 314 . 1 1 49 49 GLN HA H 1 4.584 0.004 . 1 . . . . . 461 GLN HA . 27321 1 315 . 1 1 49 49 GLN HB2 H 1 2.065 0.007 . 2 . . . . . 461 GLN HB2 . 27321 1 316 . 1 1 49 49 GLN HB3 H 1 1.896 0.003 . 2 . . . . . 461 GLN HB3 . 27321 1 317 . 1 1 49 49 GLN HG2 H 1 2.354 0.003 . 2 . . . . . 461 GLN HG2 . 27321 1 318 . 1 1 49 49 GLN HG3 H 1 2.354 0.003 . 2 . . . . . 461 GLN HG3 . 27321 1 319 . 1 1 49 49 GLN C C 13 173.712 . . 1 . . . . . 461 GLN C . 27321 1 320 . 1 1 49 49 GLN CA C 13 53.474 0.072 . 1 . . . . . 461 GLN CA . 27321 1 321 . 1 1 49 49 GLN CB C 13 29.042 0.073 . 1 . . . . . 461 GLN CB . 27321 1 322 . 1 1 49 49 GLN CG C 13 33.442 0.02 . 1 . . . . . 461 GLN CG . 27321 1 323 . 1 1 49 49 GLN N N 15 122.057 0.013 . 1 . . . . . 461 GLN N . 27321 1 324 . 1 1 50 50 PRO HA H 1 4.343 0.006 . 1 . . . . . 462 PRO HA . 27321 1 325 . 1 1 50 50 PRO HB2 H 1 1.798 . . 2 . . . . . 462 PRO HB2 . 27321 1 326 . 1 1 50 50 PRO HB3 H 1 2.184 . . 2 . . . . . 462 PRO HB3 . 27321 1 327 . 1 1 50 50 PRO C C 13 176.382 0.012 . 1 . . . . . 462 PRO C . 27321 1 328 . 1 1 50 50 PRO CA C 13 62.921 0.039 . 1 . . . . . 462 PRO CA . 27321 1 329 . 1 1 50 50 PRO CB C 13 32.062 0.007 . 1 . . . . . 462 PRO CB . 27321 1 330 . 1 1 50 50 PRO CG C 13 27.318 . . 1 . . . . . 462 PRO CG . 27321 1 331 . 1 1 50 50 PRO CD C 13 50.577 . . 1 . . . . . 462 PRO CD . 27321 1 332 . 1 1 51 51 LYS H H 1 8.27 0.003 . 1 . . . . . 463 LYS H . 27321 1 333 . 1 1 51 51 LYS HE2 H 1 3.153 0.002 . 2 . . . . . 463 LYS HE2 . 27321 1 334 . 1 1 51 51 LYS C C 13 174.021 . . 1 . . . . . 463 LYS C . 27321 1 335 . 1 1 51 51 LYS CA C 13 53.934 . . 1 . . . . . 463 LYS CA . 27321 1 336 . 1 1 51 51 LYS CB C 13 32.523 . . 1 . . . . . 463 LYS CB . 27321 1 337 . 1 1 51 51 LYS CE C 13 43.248 0.014 . 1 . . . . . 463 LYS CE . 27321 1 338 . 1 1 51 51 LYS N N 15 122.541 0.01 . 1 . . . . . 463 LYS N . 27321 1 339 . 1 1 53 53 PRO HA H 1 4.359 0.017 . 1 . . . . . 465 PRO HA . 27321 1 340 . 1 1 53 53 PRO HB2 H 1 1.84 0.015 . 2 . . . . . 465 PRO HB2 . 27321 1 341 . 1 1 53 53 PRO HB3 H 1 2.228 0.014 . 2 . . . . . 465 PRO HB3 . 27321 1 342 . 1 1 53 53 PRO HG2 H 1 1.987 0.005 . 2 . . . . . 465 PRO HG2 . 27321 1 343 . 1 1 53 53 PRO HD2 H 1 3.628 0.009 . 2 . . . . . 465 PRO HD2 . 27321 1 344 . 1 1 53 53 PRO HD3 H 1 3.774 0.013 . 2 . . . . . 465 PRO HD3 . 27321 1 345 . 1 1 53 53 PRO C C 13 176.622 0.008 . 1 . . . . . 465 PRO C . 27321 1 346 . 1 1 53 53 PRO CA C 13 63.187 0.068 . 1 . . . . . 465 PRO CA . 27321 1 347 . 1 1 53 53 PRO CB C 13 32.009 0.042 . 1 . . . . . 465 PRO CB . 27321 1 348 . 1 1 53 53 PRO CG C 13 27.336 0.036 . 1 . . . . . 465 PRO CG . 27321 1 349 . 1 1 53 53 PRO CD C 13 50.475 0.096 . 1 . . . . . 465 PRO CD . 27321 1 350 . 1 1 54 54 HIS H H 1 8.121 0.001 . 1 . . . . . 466 HIS H . 27321 1 351 . 1 1 54 54 HIS HA H 1 4.561 0.015 . 1 . . . . . 466 HIS HA . 27321 1 352 . 1 1 54 54 HIS HB2 H 1 3.091 0.022 . 2 . . . . . 466 HIS HB2 . 27321 1 353 . 1 1 54 54 HIS HB3 H 1 3.172 0.003 . 2 . . . . . 466 HIS HB3 . 27321 1 354 . 1 1 54 54 HIS C C 13 175.222 0.013 . 1 . . . . . 466 HIS C . 27321 1 355 . 1 1 54 54 HIS CA C 13 56.057 0.06 . 1 . . . . . 466 HIS CA . 27321 1 356 . 1 1 54 54 HIS CB C 13 30.464 0.118 . 1 . . . . . 466 HIS CB . 27321 1 357 . 1 1 54 54 HIS N N 15 118.162 0.009 . 1 . . . . . 466 HIS N . 27321 1 358 . 1 1 55 55 GLU H H 1 8.239 0.002 . 1 . . . . . 467 GLU H . 27321 1 359 . 1 1 55 55 GLU HA H 1 4.191 0.005 . 1 . . . . . 467 GLU HA . 27321 1 360 . 1 1 55 55 GLU HB2 H 1 1.872 . . 2 . . . . . 467 GLU HB2 . 27321 1 361 . 1 1 55 55 GLU C C 13 176.67 0.009 . 1 . . . . . 467 GLU C . 27321 1 362 . 1 1 55 55 GLU CA C 13 56.725 0.014 . 1 . . . . . 467 GLU CA . 27321 1 363 . 1 1 55 55 GLU CB C 13 30.284 0.016 . 1 . . . . . 467 GLU CB . 27321 1 364 . 1 1 55 55 GLU CG C 13 36.16 . . 1 . . . . . 467 GLU CG . 27321 1 365 . 1 1 55 55 GLU N N 15 122.586 0.022 . 1 . . . . . 467 GLU N . 27321 1 366 . 1 1 56 56 GLY H H 1 8.385 0.001 . 1 . . . . . 468 GLY H . 27321 1 367 . 1 1 56 56 GLY HA2 H 1 3.933 0.014 . 2 . . . . . 468 GLY HA2 . 27321 1 368 . 1 1 56 56 GLY C C 13 174.04 0.011 . 1 . . . . . 468 GLY C . 27321 1 369 . 1 1 56 56 GLY CA C 13 45.204 0.057 . 1 . . . . . 468 GLY CA . 27321 1 370 . 1 1 56 56 GLY N N 15 110.189 0.007 . 1 . . . . . 468 GLY N . 27321 1 371 . 1 1 57 57 SER H H 1 8.145 0.001 . 1 . . . . . 469 SER H . 27321 1 372 . 1 1 57 57 SER HA H 1 4.379 0.005 . 1 . . . . . 469 SER HA . 27321 1 373 . 1 1 57 57 SER HB2 H 1 3.777 0.008 . 2 . . . . . 469 SER HB2 . 27321 1 374 . 1 1 57 57 SER C C 13 174.587 0.012 . 1 . . . . . 469 SER C . 27321 1 375 . 1 1 57 57 SER CA C 13 58.311 0.043 . 1 . . . . . 469 SER CA . 27321 1 376 . 1 1 57 57 SER CB C 13 63.723 0.128 . 1 . . . . . 469 SER CB . 27321 1 377 . 1 1 57 57 SER N N 15 115.49 0.006 . 1 . . . . . 469 SER N . 27321 1 378 . 1 1 58 58 ARG H H 1 8.329 0.002 . 1 . . . . . 470 ARG H . 27321 1 379 . 1 1 58 58 ARG HA H 1 4.317 0.016 . 1 . . . . . 470 ARG HA . 27321 1 380 . 1 1 58 58 ARG HB2 H 1 1.73 0.015 . 2 . . . . . 470 ARG HB2 . 27321 1 381 . 1 1 58 58 ARG HB3 H 1 1.886 0.028 . 2 . . . . . 470 ARG HB3 . 27321 1 382 . 1 1 58 58 ARG HG2 H 1 1.6 0.004 . 2 . . . . . 470 ARG HG2 . 27321 1 383 . 1 1 58 58 ARG HD2 H 1 3.158 0.006 . 2 . . . . . 470 ARG HD2 . 27321 1 384 . 1 1 58 58 ARG C C 13 176.156 0.011 . 1 . . . . . 470 ARG C . 27321 1 385 . 1 1 58 58 ARG CA C 13 56.056 0.034 . 1 . . . . . 470 ARG CA . 27321 1 386 . 1 1 58 58 ARG CB C 13 30.789 0.039 . 1 . . . . . 470 ARG CB . 27321 1 387 . 1 1 58 58 ARG CG C 13 27.084 0.072 . 1 . . . . . 470 ARG CG . 27321 1 388 . 1 1 58 58 ARG CD C 13 43.218 0.045 . 1 . . . . . 470 ARG CD . 27321 1 389 . 1 1 58 58 ARG N N 15 122.794 0.011 . 1 . . . . . 470 ARG N . 27321 1 390 . 1 1 59 59 ALA H H 1 8.286 0.002 . 1 . . . . . 471 ALA H . 27321 1 391 . 1 1 59 59 ALA HA H 1 4.235 0.016 . 1 . . . . . 471 ALA HA . 27321 1 392 . 1 1 59 59 ALA C C 13 177.297 0.011 . 1 . . . . . 471 ALA C . 27321 1 393 . 1 1 59 59 ALA CA C 13 52.815 0.041 . 1 . . . . . 471 ALA CA . 27321 1 394 . 1 1 59 59 ALA CB C 13 19.213 0.044 . 1 . . . . . 471 ALA CB . 27321 1 395 . 1 1 59 59 ALA N N 15 124.735 0.011 . 1 . . . . . 471 ALA N . 27321 1 396 . 1 1 60 60 ASP H H 1 8.21 0.002 . 1 . . . . . 472 ASP H . 27321 1 397 . 1 1 60 60 ASP HA H 1 4.51 0.01 . 1 . . . . . 472 ASP HA . 27321 1 398 . 1 1 60 60 ASP HB2 H 1 2.605 0.015 . 2 . . . . . 472 ASP HB2 . 27321 1 399 . 1 1 60 60 ASP HB3 H 1 2.645 0.008 . 2 . . . . . 472 ASP HB3 . 27321 1 400 . 1 1 60 60 ASP C C 13 175.869 0.011 . 1 . . . . . 472 ASP C . 27321 1 401 . 1 1 60 60 ASP CA C 13 54.332 0.14 . 1 . . . . . 472 ASP CA . 27321 1 402 . 1 1 60 60 ASP CB C 13 40.769 0.044 . 1 . . . . . 472 ASP CB . 27321 1 403 . 1 1 60 60 ASP N N 15 117.911 0.004 . 1 . . . . . 472 ASP N . 27321 1 404 . 1 1 61 61 LEU H H 1 7.809 0.001 . 1 . . . . . 473 LEU H . 27321 1 405 . 1 1 61 61 LEU HA H 1 4.316 0.031 . 1 . . . . . 473 LEU HA . 27321 1 406 . 1 1 61 61 LEU HB2 H 1 1.627 0.039 . 2 . . . . . 473 LEU HB2 . 27321 1 407 . 1 1 61 61 LEU C C 13 177.064 0.015 . 1 . . . . . 473 LEU C . 27321 1 408 . 1 1 61 61 LEU CA C 13 55.084 0.069 . 1 . . . . . 473 LEU CA . 27321 1 409 . 1 1 61 61 LEU CB C 13 42.233 0.119 . 1 . . . . . 473 LEU CB . 27321 1 410 . 1 1 61 61 LEU CG C 13 26.849 . . 1 . . . . . 473 LEU CG . 27321 1 411 . 1 1 61 61 LEU CD1 C 13 25.049 . . 2 . . . . . 473 LEU CD1 . 27321 1 412 . 1 1 61 61 LEU CD2 C 13 23.509 . . 2 . . . . . 473 LEU CD2 . 27321 1 413 . 1 1 61 61 LEU N N 15 121.244 0.004 . 1 . . . . . 473 LEU N . 27321 1 414 . 1 1 62 62 VAL H H 1 7.953 0.002 . 1 . . . . . 474 VAL H . 27321 1 415 . 1 1 62 62 VAL HA H 1 4.052 0.017 . 1 . . . . . 474 VAL HA . 27321 1 416 . 1 1 62 62 VAL HB H 1 2.037 0.023 . 1 . . . . . 474 VAL HB . 27321 1 417 . 1 1 62 62 VAL C C 13 175.715 0.011 . 1 . . . . . 474 VAL C . 27321 1 418 . 1 1 62 62 VAL CA C 13 62.171 0.035 . 1 . . . . . 474 VAL CA . 27321 1 419 . 1 1 62 62 VAL CB C 13 32.68 0.049 . 1 . . . . . 474 VAL CB . 27321 1 420 . 1 1 62 62 VAL CG1 C 13 20.722 0.066 . 2 . . . . . 474 VAL CG1 . 27321 1 421 . 1 1 62 62 VAL CG2 C 13 21.047 0.061 . 2 . . . . . 474 VAL CG2 . 27321 1 422 . 1 1 62 62 VAL N N 15 120.773 0.007 . 1 . . . . . 474 VAL N . 27321 1 423 . 1 1 63 63 ALA H H 1 8.213 0.002 . 1 . . . . . 475 ALA H . 27321 1 424 . 1 1 63 63 ALA HA H 1 4.27 0.016 . 1 . . . . . 475 ALA HA . 27321 1 425 . 1 1 63 63 ALA C C 13 177.431 0.011 . 1 . . . . . 475 ALA C . 27321 1 426 . 1 1 63 63 ALA CA C 13 52.439 0.029 . 1 . . . . . 475 ALA CA . 27321 1 427 . 1 1 63 63 ALA CB C 13 19.299 0.044 . 1 . . . . . 475 ALA CB . 27321 1 428 . 1 1 63 63 ALA N N 15 127.473 0.009 . 1 . . . . . 475 ALA N . 27321 1 429 . 1 1 64 64 GLU H H 1 8.237 0.002 . 1 . . . . . 476 GLU H . 27321 1 430 . 1 1 64 64 GLU HA H 1 4.214 0.022 . 1 . . . . . 476 GLU HA . 27321 1 431 . 1 1 64 64 GLU HB2 H 1 1.897 0.006 . 2 . . . . . 476 GLU HB2 . 27321 1 432 . 1 1 64 64 GLU C C 13 176.253 0.013 . 1 . . . . . 476 GLU C . 27321 1 433 . 1 1 64 64 GLU CA C 13 56.561 0.02 . 1 . . . . . 476 GLU CA . 27321 1 434 . 1 1 64 64 GLU CB C 13 30.415 0.05 . 1 . . . . . 476 GLU CB . 27321 1 435 . 1 1 64 64 GLU CG C 13 36.343 . . 1 . . . . . 476 GLU CG . 27321 1 436 . 1 1 64 64 GLU N N 15 119.866 0.007 . 1 . . . . . 476 GLU N . 27321 1 437 . 1 1 65 65 GLU H H 1 8.276 0.002 . 1 . . . . . 477 GLU H . 27321 1 438 . 1 1 65 65 GLU HA H 1 4.231 0.004 . 1 . . . . . 477 GLU HA . 27321 1 439 . 1 1 65 65 GLU HB2 H 1 1.901 . . 2 . . . . . 477 GLU HB2 . 27321 1 440 . 1 1 65 65 GLU C C 13 175.985 0.009 . 1 . . . . . 477 GLU C . 27321 1 441 . 1 1 65 65 GLU CA C 13 56.258 0.082 . 1 . . . . . 477 GLU CA . 27321 1 442 . 1 1 65 65 GLU CB C 13 30.555 0.018 . 1 . . . . . 477 GLU CB . 27321 1 443 . 1 1 65 65 GLU CG C 13 36.294 . . 1 . . . . . 477 GLU CG . 27321 1 444 . 1 1 65 65 GLU N N 15 121.445 0.013 . 1 . . . . . 477 GLU N . 27321 1 445 . 1 1 66 66 SER H H 1 8.266 0.002 . 1 . . . . . 478 SER H . 27321 1 446 . 1 1 66 66 SER C C 13 173.194 . . 1 . . . . . 478 SER C . 27321 1 447 . 1 1 66 66 SER CB C 13 63.54 . . 1 . . . . . 478 SER CB . 27321 1 448 . 1 1 66 66 SER N N 15 117.574 0.011 . 1 . . . . . 478 SER N . 27321 1 449 . 1 1 67 67 PRO HA H 1 4.388 0.025 . 1 . . . . . 479 PRO HA . 27321 1 450 . 1 1 67 67 PRO HB2 H 1 1.91 0.028 . 2 . . . . . 479 PRO HB2 . 27321 1 451 . 1 1 67 67 PRO HB3 H 1 2.232 0.008 . 2 . . . . . 479 PRO HB3 . 27321 1 452 . 1 1 67 67 PRO HG2 H 1 1.978 . . 2 . . . . . 479 PRO HG2 . 27321 1 453 . 1 1 67 67 PRO HD2 H 1 3.769 0.005 . 2 . . . . . 479 PRO HD2 . 27321 1 454 . 1 1 67 67 PRO C C 13 177.179 0.009 . 1 . . . . . 479 PRO C . 27321 1 455 . 1 1 67 67 PRO CA C 13 63.732 0.045 . 1 . . . . . 479 PRO CA . 27321 1 456 . 1 1 67 67 PRO CB C 13 32 0.031 . 1 . . . . . 479 PRO CB . 27321 1 457 . 1 1 67 67 PRO CG C 13 27.279 0.006 . 1 . . . . . 479 PRO CG . 27321 1 458 . 1 1 67 67 PRO CD C 13 50.735 0.046 . 1 . . . . . 479 PRO CD . 27321 1 459 . 1 1 68 68 GLU H H 1 8.478 0.005 . 1 . . . . . 480 GLU H . 27321 1 460 . 1 1 68 68 GLU HA H 1 4.173 0.015 . 1 . . . . . 480 GLU HA . 27321 1 461 . 1 1 68 68 GLU HB2 H 1 1.904 0.007 . 2 . . . . . 480 GLU HB2 . 27321 1 462 . 1 1 68 68 GLU HB3 H 1 1.998 0.007 . 2 . . . . . 480 GLU HB3 . 27321 1 463 . 1 1 68 68 GLU HG2 H 1 2.241 0.011 . 2 . . . . . 480 GLU HG2 . 27321 1 464 . 1 1 68 68 GLU C C 13 176.528 0.01 . 1 . . . . . 480 GLU C . 27321 1 465 . 1 1 68 68 GLU CA C 13 57.084 0.04 . 1 . . . . . 480 GLU CA . 27321 1 466 . 1 1 68 68 GLU CB C 13 29.729 0.089 . 1 . . . . . 480 GLU CB . 27321 1 467 . 1 1 68 68 GLU CG C 13 36.328 0.066 . 1 . . . . . 480 GLU CG . 27321 1 468 . 1 1 68 68 GLU N N 15 119.63 0.011 . 1 . . . . . 480 GLU N . 27321 1 469 . 1 1 69 69 LEU H H 1 7.898 0.001 . 1 . . . . . 481 LEU H . 27321 1 470 . 1 1 69 69 LEU HA H 1 4.235 0.004 . 1 . . . . . 481 LEU HA . 27321 1 471 . 1 1 69 69 LEU HB2 H 1 1.536 . . 2 . . . . . 481 LEU HB2 . 27321 1 472 . 1 1 69 69 LEU C C 13 176.987 0.012 . 1 . . . . . 481 LEU C . 27321 1 473 . 1 1 69 69 LEU CA C 13 55.09 0.017 . 1 . . . . . 481 LEU CA . 27321 1 474 . 1 1 69 69 LEU CB C 13 42.171 0.073 . 1 . . . . . 481 LEU CB . 27321 1 475 . 1 1 69 69 LEU CG C 13 26 . . 1 . . . . . 481 LEU CG . 27321 1 476 . 1 1 69 69 LEU CD1 C 13 25.029 . . 2 . . . . . 481 LEU CD1 . 27321 1 477 . 1 1 69 69 LEU CD2 C 13 23.425 . . 2 . . . . . 481 LEU CD2 . 27321 1 478 . 1 1 69 69 LEU N N 15 121.762 0.015 . 1 . . . . . 481 LEU N . 27321 1 479 . 1 1 70 70 LEU H H 1 7.871 0.003 . 1 . . . . . 482 LEU H . 27321 1 480 . 1 1 70 70 LEU HA H 1 4.264 0.028 . 1 . . . . . 482 LEU HA . 27321 1 481 . 1 1 70 70 LEU HB2 H 1 1.603 0.039 . 2 . . . . . 482 LEU HB2 . 27321 1 482 . 1 1 70 70 LEU C C 13 176.584 0.013 . 1 . . . . . 482 LEU C . 27321 1 483 . 1 1 70 70 LEU CA C 13 55.037 0.006 . 1 . . . . . 482 LEU CA . 27321 1 484 . 1 1 70 70 LEU CB C 13 42.358 0.017 . 1 . . . . . 482 LEU CB . 27321 1 485 . 1 1 70 70 LEU CG C 13 26.923 . . 1 . . . . . 482 LEU CG . 27321 1 486 . 1 1 70 70 LEU CD1 C 13 24.918 . . 2 . . . . . 482 LEU CD1 . 27321 1 487 . 1 1 70 70 LEU CD2 C 13 23.41 . . 2 . . . . . 482 LEU CD2 . 27321 1 488 . 1 1 70 70 LEU N N 15 121.411 0.014 . 1 . . . . . 482 LEU N . 27321 1 489 . 1 1 71 71 ASN H H 1 8.142 0.002 . 1 . . . . . 483 ASN H . 27321 1 490 . 1 1 71 71 ASN HA H 1 4.918 0.003 . 1 . . . . . 483 ASN HA . 27321 1 491 . 1 1 71 71 ASN HB2 H 1 2.774 0.004 . 2 . . . . . 483 ASN HB2 . 27321 1 492 . 1 1 71 71 ASN HB3 H 1 2.635 0.003 . 2 . . . . . 483 ASN HB3 . 27321 1 493 . 1 1 71 71 ASN C C 13 172.88 . . 1 . . . . . 483 ASN C . 27321 1 494 . 1 1 71 71 ASN CA C 13 51.175 0.013 . 1 . . . . . 483 ASN CA . 27321 1 495 . 1 1 71 71 ASN CB C 13 39.027 0.028 . 1 . . . . . 483 ASN CB . 27321 1 496 . 1 1 71 71 ASN N N 15 119.415 0.015 . 1 . . . . . 483 ASN N . 27321 1 497 . 1 1 72 72 PRO HA H 1 4.343 0.006 . 1 . . . . . 484 PRO HA . 27321 1 498 . 1 1 72 72 PRO HB2 H 1 2.144 . . 2 . . . . . 484 PRO HB2 . 27321 1 499 . 1 1 72 72 PRO HB3 H 1 1.857 . . 2 . . . . . 484 PRO HB3 . 27321 1 500 . 1 1 72 72 PRO C C 13 176.582 0.012 . 1 . . . . . 484 PRO C . 27321 1 501 . 1 1 72 72 PRO CA C 13 63.204 0.033 . 1 . . . . . 484 PRO CA . 27321 1 502 . 1 1 72 72 PRO CB C 13 32.098 0.027 . 1 . . . . . 484 PRO CB . 27321 1 503 . 1 1 72 72 PRO CG C 13 27.069 . . 1 . . . . . 484 PRO CG . 27321 1 504 . 1 1 72 72 PRO CD C 13 50.509 . . 1 . . . . . 484 PRO CD . 27321 1 505 . 1 1 73 73 GLU H H 1 8.226 0.002 . 1 . . . . . 485 GLU H . 27321 1 506 . 1 1 73 73 GLU HB2 H 1 2.186 . . 2 . . . . . 485 GLU HB2 . 27321 1 507 . 1 1 73 73 GLU C C 13 174.433 . . 1 . . . . . 485 GLU C . 27321 1 508 . 1 1 73 73 GLU CA C 13 54.57 . . 1 . . . . . 485 GLU CA . 27321 1 509 . 1 1 73 73 GLU CB C 13 29.822 . . 1 . . . . . 485 GLU CB . 27321 1 510 . 1 1 73 73 GLU N N 15 121.774 0.006 . 1 . . . . . 485 GLU N . 27321 1 511 . 1 1 74 74 PRO HA H 1 4.295 0.009 . 1 . . . . . 486 PRO HA . 27321 1 512 . 1 1 74 74 PRO HB2 H 1 1.782 . . 2 . . . . . 486 PRO HB2 . 27321 1 513 . 1 1 74 74 PRO C C 13 176.93 0.011 . 1 . . . . . 486 PRO C . 27321 1 514 . 1 1 74 74 PRO CA C 13 63.419 0.024 . 1 . . . . . 486 PRO CA . 27321 1 515 . 1 1 74 74 PRO CB C 13 31.96 0.008 . 1 . . . . . 486 PRO CB . 27321 1 516 . 1 1 74 74 PRO CG C 13 27.402 . . 1 . . . . . 486 PRO CG . 27321 1 517 . 1 1 74 74 PRO CD C 13 50.55 . . 1 . . . . . 486 PRO CD . 27321 1 518 . 1 1 75 75 ARG H H 1 8.286 0.002 . 1 . . . . . 487 ARG H . 27321 1 519 . 1 1 75 75 ARG C C 13 176.164 0.012 . 1 . . . . . 487 ARG C . 27321 1 520 . 1 1 75 75 ARG CA C 13 56.127 . . 1 . . . . . 487 ARG CA . 27321 1 521 . 1 1 75 75 ARG CB C 13 30.614 . . 1 . . . . . 487 ARG CB . 27321 1 522 . 1 1 75 75 ARG N N 15 120.261 0.014 . 1 . . . . . 487 ARG N . 27321 1 523 . 1 1 76 76 ARG H H 1 8.204 0.001 . 1 . . . . . 488 ARG H . 27321 1 524 . 1 1 76 76 ARG HA H 1 4.288 0.034 . 1 . . . . . 488 ARG HA . 27321 1 525 . 1 1 76 76 ARG HB2 H 1 1.705 . . 2 . . . . . 488 ARG HB2 . 27321 1 526 . 1 1 76 76 ARG C C 13 175.897 0.014 . 1 . . . . . 488 ARG C . 27321 1 527 . 1 1 76 76 ARG CA C 13 55.828 0.116 . 1 . . . . . 488 ARG CA . 27321 1 528 . 1 1 76 76 ARG CB C 13 30.798 0.019 . 1 . . . . . 488 ARG CB . 27321 1 529 . 1 1 76 76 ARG CG C 13 27.267 . . 1 . . . . . 488 ARG CG . 27321 1 530 . 1 1 76 76 ARG CD C 13 43.353 . . 1 . . . . . 488 ARG CD . 27321 1 531 . 1 1 76 76 ARG N N 15 122.028 0.006 . 1 . . . . . 488 ARG N . 27321 1 532 . 1 1 77 77 LEU H H 1 8.175 0.002 . 1 . . . . . 489 LEU H . 27321 1 533 . 1 1 77 77 LEU HA H 1 4.362 0.02 . 1 . . . . . 489 LEU HA . 27321 1 534 . 1 1 77 77 LEU HB2 H 1 1.543 0.011 . 2 . . . . . 489 LEU HB2 . 27321 1 535 . 1 1 77 77 LEU C C 13 176.794 0.011 . 1 . . . . . 489 LEU C . 27321 1 536 . 1 1 77 77 LEU CA C 13 54.683 0.056 . 1 . . . . . 489 LEU CA . 27321 1 537 . 1 1 77 77 LEU CB C 13 42.085 0.336 . 1 . . . . . 489 LEU CB . 27321 1 538 . 1 1 77 77 LEU CG C 13 26.921 . . 1 . . . . . 489 LEU CG . 27321 1 539 . 1 1 77 77 LEU CD1 C 13 25.057 . . 2 . . . . . 489 LEU CD1 . 27321 1 540 . 1 1 77 77 LEU CD2 C 13 23.41 . . 2 . . . . . 489 LEU CD2 . 27321 1 541 . 1 1 77 77 LEU N N 15 123.121 0.012 . 1 . . . . . 489 LEU N . 27321 1 542 . 1 1 78 78 SER H H 1 8.115 0.002 . 1 . . . . . 490 SER H . 27321 1 543 . 1 1 78 78 SER C C 13 173.17 . . 1 . . . . . 490 SER C . 27321 1 544 . 1 1 78 78 SER CA C 13 56.334 . . 1 . . . . . 490 SER CA . 27321 1 545 . 1 1 78 78 SER CB C 13 63.346 . . 1 . . . . . 490 SER CB . 27321 1 546 . 1 1 78 78 SER N N 15 117.605 0.008 . 1 . . . . . 490 SER N . 27321 1 547 . 1 1 79 79 PRO HA H 1 4.31 0.018 . 1 . . . . . 491 PRO HA . 27321 1 548 . 1 1 79 79 PRO HB2 H 1 2.232 0.014 . 2 . . . . . 491 PRO HB2 . 27321 1 549 . 1 1 79 79 PRO HB3 H 1 1.852 . . 2 . . . . . 491 PRO HB3 . 27321 1 550 . 1 1 79 79 PRO C C 13 177.135 . . 1 . . . . . 491 PRO C . 27321 1 551 . 1 1 79 79 PRO CA C 13 63.931 0.057 . 1 . . . . . 491 PRO CA . 27321 1 552 . 1 1 79 79 PRO CB C 13 32.032 0.026 . 1 . . . . . 491 PRO CB . 27321 1 553 . 1 1 79 79 PRO CG C 13 27.398 . . 1 . . . . . 491 PRO CG . 27321 1 554 . 1 1 79 79 PRO CD C 13 50.664 . . 1 . . . . . 491 PRO CD . 27321 1 555 . 1 1 80 80 GLU H H 1 8.528 0.003 . 1 . . . . . 492 GLU H . 27321 1 556 . 1 1 80 80 GLU HA H 1 4.199 0.027 . 1 . . . . . 492 GLU HA . 27321 1 557 . 1 1 80 80 GLU HB2 H 1 1.897 0.01 . 2 . . . . . 492 GLU HB2 . 27321 1 558 . 1 1 80 80 GLU HB3 H 1 2.023 . . 2 . . . . . 492 GLU HB3 . 27321 1 559 . 1 1 80 80 GLU HG2 H 1 2.227 . . 2 . . . . . 492 GLU HG2 . 27321 1 560 . 1 1 80 80 GLU C C 13 176.553 0.011 . 1 . . . . . 492 GLU C . 27321 1 561 . 1 1 80 80 GLU CA C 13 56.784 0.17 . 1 . . . . . 492 GLU CA . 27321 1 562 . 1 1 80 80 GLU CB C 13 29.733 0.067 . 1 . . . . . 492 GLU CB . 27321 1 563 . 1 1 80 80 GLU CG C 13 36.257 0.008 . 1 . . . . . 492 GLU CG . 27321 1 564 . 1 1 80 80 GLU N N 15 119.161 0.031 . 1 . . . . . 492 GLU N . 27321 1 565 . 1 1 81 81 LEU H H 1 7.914 0.003 . 1 . . . . . 493 LEU H . 27321 1 566 . 1 1 81 81 LEU HA H 1 4.249 0.033 . 1 . . . . . 493 LEU HA . 27321 1 567 . 1 1 81 81 LEU HB2 H 1 1.538 . . 2 . . . . . 493 LEU HB2 . 27321 1 568 . 1 1 81 81 LEU C C 13 177.118 0.016 . 1 . . . . . 493 LEU C . 27321 1 569 . 1 1 81 81 LEU CA C 13 55.302 0.061 . 1 . . . . . 493 LEU CA . 27321 1 570 . 1 1 81 81 LEU CB C 13 42.114 0.022 . 1 . . . . . 493 LEU CB . 27321 1 571 . 1 1 81 81 LEU CG C 13 27.02 . . 1 . . . . . 493 LEU CG . 27321 1 572 . 1 1 81 81 LEU CD1 C 13 25.09 . . 2 . . . . . 493 LEU CD1 . 27321 1 573 . 1 1 81 81 LEU CD2 C 13 23.423 . . 2 . . . . . 493 LEU CD2 . 27321 1 574 . 1 1 81 81 LEU N N 15 122.123 0.023 . 1 . . . . . 493 LEU N . 27321 1 575 . 1 1 82 82 ARG H H 1 8.021 0.002 . 1 . . . . . 494 ARG H . 27321 1 576 . 1 1 82 82 ARG HA H 1 4.217 0.005 . 1 . . . . . 494 ARG HA . 27321 1 577 . 1 1 82 82 ARG HB2 H 1 1.691 . . 2 . . . . . 494 ARG HB2 . 27321 1 578 . 1 1 82 82 ARG C C 13 175.649 0.01 . 1 . . . . . 494 ARG C . 27321 1 579 . 1 1 82 82 ARG CA C 13 56.129 0.012 . 1 . . . . . 494 ARG CA . 27321 1 580 . 1 1 82 82 ARG CB C 13 30.712 0.008 . 1 . . . . . 494 ARG CB . 27321 1 581 . 1 1 82 82 ARG CG C 13 27.202 . . 1 . . . . . 494 ARG CG . 27321 1 582 . 1 1 82 82 ARG CD C 13 43.393 . . 1 . . . . . 494 ARG CD . 27321 1 583 . 1 1 82 82 ARG N N 15 120.586 0.016 . 1 . . . . . 494 ARG N . 27321 1 584 . 1 1 83 83 LEU H H 1 7.97 0.002 . 1 . . . . . 495 LEU H . 27321 1 585 . 1 1 83 83 LEU HA H 1 4.278 . . 1 . . . . . 495 LEU HA . 27321 1 586 . 1 1 83 83 LEU HB2 H 1 1.342 0.035 . 2 . . . . . 495 LEU HB2 . 27321 1 587 . 1 1 83 83 LEU C C 13 176.718 0.008 . 1 . . . . . 495 LEU C . 27321 1 588 . 1 1 83 83 LEU CA C 13 54.762 0.042 . 1 . . . . . 495 LEU CA . 27321 1 589 . 1 1 83 83 LEU CB C 13 41.93 0.143 . 1 . . . . . 495 LEU CB . 27321 1 590 . 1 1 83 83 LEU CG C 13 26.937 . . 1 . . . . . 495 LEU CG . 27321 1 591 . 1 1 83 83 LEU CD1 C 13 25.023 . . 2 . . . . . 495 LEU CD1 . 27321 1 592 . 1 1 83 83 LEU CD2 C 13 23.394 . . 2 . . . . . 495 LEU CD2 . 27321 1 593 . 1 1 83 83 LEU N N 15 121.688 0.025 . 1 . . . . . 495 LEU N . 27321 1 594 . 1 1 84 84 LEU H H 1 7.957 0.003 . 1 . . . . . 496 LEU H . 27321 1 595 . 1 1 84 84 LEU HA H 1 4.541 0.006 . 1 . . . . . 496 LEU HA . 27321 1 596 . 1 1 84 84 LEU HB2 H 1 1.545 . . 2 . . . . . 496 LEU HB2 . 27321 1 597 . 1 1 84 84 LEU HG H 1 1.33 . . 1 . . . . . 496 LEU HG . 27321 1 598 . 1 1 84 84 LEU C C 13 175.139 . . 1 . . . . . 496 LEU C . 27321 1 599 . 1 1 84 84 LEU CA C 13 52.796 0.01 . 1 . . . . . 496 LEU CA . 27321 1 600 . 1 1 84 84 LEU N N 15 123.554 0.011 . 1 . . . . . 496 LEU N . 27321 1 601 . 1 1 85 85 PRO HA H 1 4.373 0.035 . 1 . . . . . 497 PRO HA . 27321 1 602 . 1 1 85 85 PRO HB2 H 1 2.067 0.001 . 2 . . . . . 497 PRO HB2 . 27321 1 603 . 1 1 85 85 PRO HB3 H 1 1.655 0.002 . 2 . . . . . 497 PRO HB3 . 27321 1 604 . 1 1 85 85 PRO C C 13 176.288 . . 1 . . . . . 497 PRO C . 27321 1 605 . 1 1 85 85 PRO CA C 13 63.026 0.048 . 1 . . . . . 497 PRO CA . 27321 1 606 . 1 1 85 85 PRO CB C 13 31.649 0.031 . 1 . . . . . 497 PRO CB . 27321 1 607 . 1 1 85 85 PRO CG C 13 27.296 . . 1 . . . . . 497 PRO CG . 27321 1 608 . 1 1 85 85 PRO CD C 13 50.35 . . 1 . . . . . 497 PRO CD . 27321 1 609 . 1 1 86 86 TYR H H 1 7.968 0.002 . 1 . . . . . 498 TYR H . 27321 1 610 . 1 1 86 86 TYR HA H 1 4.429 0.015 . 1 . . . . . 498 TYR HA . 27321 1 611 . 1 1 86 86 TYR HB2 H 1 2.927 0.02 . 2 . . . . . 498 TYR HB2 . 27321 1 612 . 1 1 86 86 TYR C C 13 176.309 0.018 . 1 . . . . . 498 TYR C . 27321 1 613 . 1 1 86 86 TYR CA C 13 58.16 0.086 . 1 . . . . . 498 TYR CA . 27321 1 614 . 1 1 86 86 TYR CB C 13 38.594 0.014 . 1 . . . . . 498 TYR CB . 27321 1 615 . 1 1 86 86 TYR N N 15 119.393 0.009 . 1 . . . . . 498 TYR N . 27321 1 616 . 1 1 87 87 GLY H H 1 8.129 0.002 . 1 . . . . . 499 GLY H . 27321 1 617 . 1 1 87 87 GLY HA2 H 1 3.834 0.009 . 2 . . . . . 499 GLY HA2 . 27321 1 618 . 1 1 87 87 GLY C C 13 173.879 0.014 . 1 . . . . . 499 GLY C . 27321 1 619 . 1 1 87 87 GLY CA C 13 45.274 0.029 . 1 . . . . . 499 GLY CA . 27321 1 620 . 1 1 87 87 GLY N N 15 110.439 0.02 . 1 . . . . . 499 GLY N . 27321 1 621 . 1 1 88 88 HIS H H 1 7.973 0.001 . 1 . . . . . 500 HIS H . 27321 1 622 . 1 1 88 88 HIS C C 13 175.762 0.009 . 1 . . . . . 500 HIS C . 27321 1 623 . 1 1 88 88 HIS CA C 13 56.568 . . 1 . . . . . 500 HIS CA . 27321 1 624 . 1 1 88 88 HIS CB C 13 38.625 . . 1 . . . . . 500 HIS CB . 27321 1 625 . 1 1 88 88 HIS N N 15 119.053 0.013 . 1 . . . . . 500 HIS N . 27321 1 626 . 1 1 89 89 GLY H H 1 8.32 0.002 . 1 . . . . . 501 GLY H . 27321 1 627 . 1 1 89 89 GLY HA2 H 1 3.821 . . 2 . . . . . 501 GLY HA2 . 27321 1 628 . 1 1 89 89 GLY C C 13 174.065 0.013 . 1 . . . . . 501 GLY C . 27321 1 629 . 1 1 89 89 GLY CA C 13 45.413 0.013 . 1 . . . . . 501 GLY CA . 27321 1 630 . 1 1 89 89 GLY N N 15 109.862 0.036 . 1 . . . . . 501 GLY N . 27321 1 631 . 1 1 90 90 LEU H H 1 8.077 0.001 . 1 . . . . . 502 LEU H . 27321 1 632 . 1 1 90 90 LEU HA H 1 4.337 0.023 . 1 . . . . . 502 LEU HA . 27321 1 633 . 1 1 90 90 LEU HB2 H 1 1.523 0.01 . 2 . . . . . 502 LEU HB2 . 27321 1 634 . 1 1 90 90 LEU C C 13 177.432 0.015 . 1 . . . . . 502 LEU C . 27321 1 635 . 1 1 90 90 LEU CA C 13 55.098 0.17 . 1 . . . . . 502 LEU CA . 27321 1 636 . 1 1 90 90 LEU CB C 13 42.002 0.235 . 1 . . . . . 502 LEU CB . 27321 1 637 . 1 1 90 90 LEU CG C 13 26.898 . . 1 . . . . . 502 LEU CG . 27321 1 638 . 1 1 90 90 LEU CD1 C 13 25.044 . . 2 . . . . . 502 LEU CD1 . 27321 1 639 . 1 1 90 90 LEU CD2 C 13 23.402 0.001 . 2 . . . . . 502 LEU CD2 . 27321 1 640 . 1 1 90 90 LEU N N 15 121.36 0.003 . 1 . . . . . 502 LEU N . 27321 1 641 . 1 1 91 91 SER H H 1 8.185 0.003 . 1 . . . . . 503 SER H . 27321 1 642 . 1 1 91 91 SER HA H 1 4.307 0.007 . 1 . . . . . 503 SER HA . 27321 1 643 . 1 1 91 91 SER HB2 H 1 3.671 0.002 . 2 . . . . . 503 SER HB2 . 27321 1 644 . 1 1 91 91 SER C C 13 174.292 0.01 . 1 . . . . . 503 SER C . 27321 1 645 . 1 1 91 91 SER CA C 13 58.307 0.032 . 1 . . . . . 503 SER CA . 27321 1 646 . 1 1 91 91 SER CB C 13 63.852 0.031 . 1 . . . . . 503 SER CB . 27321 1 647 . 1 1 91 91 SER N N 15 115.912 0.013 . 1 . . . . . 503 SER N . 27321 1 648 . 1 1 92 92 ALA H H 1 8.122 0.003 . 1 . . . . . 504 ALA H . 27321 1 649 . 1 1 92 92 ALA HA H 1 4.179 0.017 . 1 . . . . . 504 ALA HA . 27321 1 650 . 1 1 92 92 ALA C C 13 177.148 0.011 . 1 . . . . . 504 ALA C . 27321 1 651 . 1 1 92 92 ALA CA C 13 52.752 0.031 . 1 . . . . . 504 ALA CA . 27321 1 652 . 1 1 92 92 ALA CB C 13 19.068 0.029 . 1 . . . . . 504 ALA CB . 27321 1 653 . 1 1 92 92 ALA N N 15 124.971 0.01 . 1 . . . . . 504 ALA N . 27321 1 654 . 1 1 93 93 TRP H H 1 7.834 0.003 . 1 . . . . . 505 TRP H . 27321 1 655 . 1 1 93 93 TRP HA H 1 4.595 0.014 . 1 . . . . . 505 TRP HA . 27321 1 656 . 1 1 93 93 TRP HB2 H 1 3.147 0.03 . 2 . . . . . 505 TRP HB2 . 27321 1 657 . 1 1 93 93 TRP HB3 H 1 3.248 0.002 . 2 . . . . . 505 TRP HB3 . 27321 1 658 . 1 1 93 93 TRP C C 13 175.927 0.007 . 1 . . . . . 505 TRP C . 27321 1 659 . 1 1 93 93 TRP CA C 13 57.129 0.058 . 1 . . . . . 505 TRP CA . 27321 1 660 . 1 1 93 93 TRP CB C 13 29.648 0.128 . 1 . . . . . 505 TRP CB . 27321 1 661 . 1 1 93 93 TRP N N 15 118.663 0.017 . 1 . . . . . 505 TRP N . 27321 1 662 . 1 1 94 94 SER H H 1 7.795 0.003 . 1 . . . . . 506 SER H . 27321 1 663 . 1 1 94 94 SER HA H 1 4.304 0.024 . 1 . . . . . 506 SER HA . 27321 1 664 . 1 1 94 94 SER HB2 H 1 3.647 0.027 . 2 . . . . . 506 SER HB2 . 27321 1 665 . 1 1 94 94 SER HB3 H 1 3.626 0.008 . 2 . . . . . 506 SER HB3 . 27321 1 666 . 1 1 94 94 SER C C 13 173.28 0.012 . 1 . . . . . 506 SER C . 27321 1 667 . 1 1 94 94 SER CA C 13 58.012 0.038 . 1 . . . . . 506 SER CA . 27321 1 668 . 1 1 94 94 SER CB C 13 63.865 0.038 . 1 . . . . . 506 SER CB . 27321 1 669 . 1 1 94 94 SER N N 15 116.526 0.011 . 1 . . . . . 506 SER N . 27321 1 670 . 1 1 95 95 HIS H H 1 7.993 0.003 . 1 . . . . . 507 HIS H . 27321 1 671 . 1 1 95 95 HIS C C 13 173.192 . . 1 . . . . . 507 HIS C . 27321 1 672 . 1 1 95 95 HIS CA C 13 54.313 . . 1 . . . . . 507 HIS CA . 27321 1 673 . 1 1 95 95 HIS CB C 13 30.188 . . 1 . . . . . 507 HIS CB . 27321 1 674 . 1 1 95 95 HIS N N 15 121.789 0.013 . 1 . . . . . 507 HIS N . 27321 1 675 . 1 1 96 96 PRO HA H 1 4.311 0.018 . 1 . . . . . 508 PRO HA . 27321 1 676 . 1 1 96 96 PRO HB2 H 1 2.172 0.013 . 2 . . . . . 508 PRO HB2 . 27321 1 677 . 1 1 96 96 PRO HB3 H 1 1.727 0.013 . 2 . . . . . 508 PRO HB3 . 27321 1 678 . 1 1 96 96 PRO HG2 H 1 1.916 0.005 . 2 . . . . . 508 PRO HG2 . 27321 1 679 . 1 1 96 96 PRO HG3 H 1 1.994 0.014 . 2 . . . . . 508 PRO HG3 . 27321 1 680 . 1 1 96 96 PRO HD2 H 1 3.385 0.005 . 2 . . . . . 508 PRO HD2 . 27321 1 681 . 1 1 96 96 PRO HD3 H 1 3.645 0.009 . 2 . . . . . 508 PRO HD3 . 27321 1 682 . 1 1 96 96 PRO C C 13 176.674 0.01 . 1 . . . . . 508 PRO C . 27321 1 683 . 1 1 96 96 PRO CA C 13 63.389 0.104 . 1 . . . . . 508 PRO CA . 27321 1 684 . 1 1 96 96 PRO CB C 13 32.051 0.029 . 1 . . . . . 508 PRO CB . 27321 1 685 . 1 1 96 96 PRO CG C 13 27.393 0.045 . 1 . . . . . 508 PRO CG . 27321 1 686 . 1 1 96 96 PRO CD C 13 50.576 0.063 . 1 . . . . . 508 PRO CD . 27321 1 687 . 1 1 97 97 GLN H H 1 8.571 0.003 . 1 . . . . . 509 GLN H . 27321 1 688 . 1 1 97 97 GLN HA H 1 4.218 0.021 . 1 . . . . . 509 GLN HA . 27321 1 689 . 1 1 97 97 GLN HB2 H 1 1.851 0.013 . 2 . . . . . 509 GLN HB2 . 27321 1 690 . 1 1 97 97 GLN HB3 H 1 1.914 0.01 . 2 . . . . . 509 GLN HB3 . 27321 1 691 . 1 1 97 97 GLN HG2 H 1 2.157 0.039 . 2 . . . . . 509 GLN HG2 . 27321 1 692 . 1 1 97 97 GLN HG3 H 1 2.169 0.008 . 2 . . . . . 509 GLN HG3 . 27321 1 693 . 1 1 97 97 GLN C C 13 175.468 0.01 . 1 . . . . . 509 GLN C . 27321 1 694 . 1 1 97 97 GLN CA C 13 55.846 0.044 . 1 . . . . . 509 GLN CA . 27321 1 695 . 1 1 97 97 GLN CB C 13 29.403 0.09 . 1 . . . . . 509 GLN CB . 27321 1 696 . 1 1 97 97 GLN CG C 13 33.693 0.03 . 1 . . . . . 509 GLN CG . 27321 1 697 . 1 1 97 97 GLN N N 15 120.248 0.01 . 1 . . . . . 509 GLN N . 27321 1 698 . 1 1 98 98 PHE H H 1 8.035 0.002 . 1 . . . . . 510 PHE H . 27321 1 699 . 1 1 98 98 PHE HA H 1 4.649 0.016 . 1 . . . . . 510 PHE HA . 27321 1 700 . 1 1 98 98 PHE HB2 H 1 3.175 0.019 . 2 . . . . . 510 PHE HB2 . 27321 1 701 . 1 1 98 98 PHE HB3 H 1 2.953 0.017 . 2 . . . . . 510 PHE HB3 . 27321 1 702 . 1 1 98 98 PHE C C 13 175.351 0.006 . 1 . . . . . 510 PHE C . 27321 1 703 . 1 1 98 98 PHE CA C 13 57.256 0.06 . 1 . . . . . 510 PHE CA . 27321 1 704 . 1 1 98 98 PHE CB C 13 39.733 0.027 . 1 . . . . . 510 PHE CB . 27321 1 705 . 1 1 98 98 PHE N N 15 120.094 0.007 . 1 . . . . . 510 PHE N . 27321 1 706 . 1 1 99 99 GLU H H 1 8.22 0.002 . 1 . . . . . 511 GLU H . 27321 1 707 . 1 1 99 99 GLU HA H 1 4.232 0.025 . 1 . . . . . 511 GLU HA . 27321 1 708 . 1 1 99 99 GLU HB2 H 1 1.886 . . 2 . . . . . 511 GLU HB2 . 27321 1 709 . 1 1 99 99 GLU C C 13 175.024 0.01 . 1 . . . . . 511 GLU C . 27321 1 710 . 1 1 99 99 GLU CA C 13 56.549 0.014 . 1 . . . . . 511 GLU CA . 27321 1 711 . 1 1 99 99 GLU CB C 13 30.551 0.02 . 1 . . . . . 511 GLU CB . 27321 1 712 . 1 1 99 99 GLU CG C 13 36.259 . . 1 . . . . . 511 GLU CG . 27321 1 713 . 1 1 99 99 GLU N N 15 122.346 0.02 . 1 . . . . . 511 GLU N . 27321 1 714 . 1 1 100 100 LYS H H 1 7.787 0.003 . 1 . . . . . 512 LYS H . 27321 1 715 . 1 1 100 100 LYS HA H 1 4.112 0.002 . 1 . . . . . 512 LYS HA . 27321 1 716 . 1 1 100 100 LYS HB2 H 1 1.799 0.008 . 2 . . . . . 512 LYS HB2 . 27321 1 717 . 1 1 100 100 LYS HB3 H 1 1.685 0.008 . 2 . . . . . 512 LYS HB3 . 27321 1 718 . 1 1 100 100 LYS HG2 H 1 1.362 0.002 . 2 . . . . . 512 LYS HG2 . 27321 1 719 . 1 1 100 100 LYS HD2 H 1 1.659 0.018 . 2 . . . . . 512 LYS HD2 . 27321 1 720 . 1 1 100 100 LYS HE2 H 1 2.952 0.003 . 2 . . . . . 512 LYS HE2 . 27321 1 721 . 1 1 100 100 LYS C C 13 180.954 . . 1 . . . . . 512 LYS C . 27321 1 722 . 1 1 100 100 LYS CA C 13 57.532 0.027 . 1 . . . . . 512 LYS CA . 27321 1 723 . 1 1 100 100 LYS CB C 13 33.789 0.05 . 1 . . . . . 512 LYS CB . 27321 1 724 . 1 1 100 100 LYS CG C 13 24.684 0.035 . 1 . . . . . 512 LYS CG . 27321 1 725 . 1 1 100 100 LYS CD C 13 29.113 . . 1 . . . . . 512 LYS CD . 27321 1 726 . 1 1 100 100 LYS CE C 13 41.974 0.008 . 1 . . . . . 512 LYS CE . 27321 1 727 . 1 1 100 100 LYS N N 15 126.719 0.006 . 1 . . . . . 512 LYS N . 27321 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27321 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 12 '2D 1H-15N HSQC' . . . 27321 2 13 '3D 1H-15N NOESY' . . . 27321 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 . 1 1 3 3 ARG H H 1 8.49 . . 1 . . . . . 415 ARG H . 27321 2 2 . 1 1 3 3 ARG N N 15 120.8 . . 1 . . . . . 415 ARG N . 27321 2 3 . 1 1 4 4 GLY H H 1 8.35 . . 1 . . . . . 416 GLY H . 27321 2 4 . 1 1 4 4 GLY N N 15 110.16 . . 1 . . . . . 416 GLY N . 27321 2 5 . 1 1 6 6 GLU H H 1 8.84 . . 1 . . . . . 418 GLU H . 27321 2 6 . 1 1 6 6 GLU N N 15 120.35 . . 1 . . . . . 418 GLU N . 27321 2 7 . 1 1 7 7 PHE H H 1 7.98 . . 1 . . . . . 419 PHE H . 27321 2 8 . 1 1 7 7 PHE N N 15 119.71 . . 1 . . . . . 419 PHE N . 27321 2 9 . 1 1 8 8 GLU H H 1 8.18 . . 1 . . . . . 420 GLU H . 27321 2 10 . 1 1 8 8 GLU N N 15 121.86 . . 1 . . . . . 420 GLU N . 27321 2 11 . 1 1 9 9 LEU H H 1 8.25 . . 1 . . . . . 421 LEU H . 27321 2 12 . 1 1 9 9 LEU N N 15 123.09 . . 1 . . . . . 421 LEU N . 27321 2 13 . 1 1 10 10 GLY H H 1 8.43 . . 1 . . . . . 422 GLY H . 27321 2 14 . 1 1 10 10 GLY N N 15 109.33 . . 1 . . . . . 422 GLY N . 27321 2 15 . 1 1 11 11 THR H H 1 7.94 . . 1 . . . . . 423 THR H . 27321 2 16 . 1 1 11 11 THR N N 15 113.37 . . 1 . . . . . 423 THR N . 27321 2 17 . 1 1 12 12 LEU H H 1 8.24 . . 1 . . . . . 424 LEU H . 27321 2 18 . 1 1 12 12 LEU N N 15 126.02 . . 1 . . . . . 424 LEU N . 27321 2 19 . 1 1 14 14 ARG H H 1 8.36 . . 1 . . . . . 426 ARG H . 27321 2 20 . 1 1 14 14 ARG N N 15 121.65 . . 1 . . . . . 426 ARG N . 27321 2 21 . 1 1 15 15 ASP H H 1 8.62 . . 1 . . . . . 427 ASP H . 27321 2 22 . 1 1 15 15 ASP N N 15 124.27 . . 1 . . . . . 427 ASP N . 27321 2 23 . 1 1 17 17 GLU H H 1 8.6 . . 1 . . . . . 429 GLU H . 27321 2 24 . 1 1 17 17 GLU N N 15 119.05 . . 1 . . . . . 429 GLU N . 27321 2 25 . 1 1 18 18 ASP H H 1 8.14 . . 1 . . . . . 430 ASP H . 27321 2 26 . 1 1 18 18 ASP N N 15 120.74 . . 1 . . . . . 430 ASP N . 27321 2 27 . 1 1 19 19 LEU H H 1 8.1 . . 1 . . . . . 431 LEU H . 27321 2 28 . 1 1 19 19 LEU N N 15 122.55 . . 1 . . . . . 431 LEU N . 27321 2 29 . 1 1 20 20 GLU H H 1 8.39 . . 1 . . . . . 432 GLU H . 27321 2 30 . 1 1 20 20 GLU N N 15 121.15 . . 1 . . . . . 432 GLU N . 27321 2 31 . 1 1 21 21 ASP H H 1 8.35 . . 1 . . . . . 433 ASP H . 27321 2 32 . 1 1 21 21 ASP N N 15 120.88 . . 1 . . . . . 433 ASP N . 27321 2 33 . 1 1 22 22 GLY H H 1 8.06 . . 1 . . . . . 434 GLY H . 27321 2 34 . 1 1 22 22 GLY N N 15 108.68 . . 1 . . . . . 434 GLY N . 27321 2 35 . 1 1 24 24 CYS H H 1 8.55 . . 1 . . . . . 436 CYS H . 27321 2 36 . 1 1 24 24 CYS N N 15 118.45 . . 1 . . . . . 436 CYS N . 27321 2 37 . 1 1 25 25 GLY H H 1 8.3 . . 1 . . . . . 437 GLY H . 27321 2 38 . 1 1 25 25 GLY N N 15 110.59 . . 1 . . . . . 437 GLY N . 27321 2 39 . 1 1 26 26 HIS H H 1 8.27 . . 1 . . . . . 438 HIS H . 27321 2 40 . 1 1 26 26 HIS N N 15 119.4 . . 1 . . . . . 438 HIS N . 27321 2 41 . 1 1 27 27 SER H H 1 8.37 . . 1 . . . . . 439 SER H . 27321 2 42 . 1 1 27 27 SER N N 15 117.1 . . 1 . . . . . 439 SER N . 27321 2 43 . 1 1 28 28 SER H H 1 8.49 . . 1 . . . . . 440 SER H . 27321 2 44 . 1 1 28 28 SER N N 15 118.04 . . 1 . . . . . 440 SER N . 27321 2 45 . 1 1 29 29 HIS H H 1 8.42 . . 1 . . . . . 441 HIS H . 27321 2 46 . 1 1 29 29 HIS N N 15 121.48 . . 1 . . . . . 441 HIS N . 27321 2 47 . 1 1 30 30 SER H H 1 8.18 . . 1 . . . . . 442 SER H . 27321 2 48 . 1 1 30 30 SER N N 15 116.35 . . 1 . . . . . 442 SER N . 27321 2 49 . 1 1 31 31 HIS H H 1 8.25 . . 1 . . . . . 443 HIS H . 27321 2 50 . 1 1 31 31 HIS N N 15 120.92 . . 1 . . . . . 443 HIS N . 27321 2 51 . 1 1 32 32 GLY H H 1 8.37 . . 1 . . . . . 444 GLY H . 27321 2 52 . 1 1 32 32 GLY N N 15 108.87 . . 1 . . . . . 444 GLY N . 27321 2 53 . 1 1 33 33 GLY H H 1 8.39 . . 1 . . . . . 445 GLY H . 27321 2 54 . 1 1 33 33 GLY N N 15 109.84 . . 1 . . . . . 445 GLY N . 27321 2 55 . 1 1 34 34 HIS H H 1 8.19 . . 1 . . . . . 446 HIS H . 27321 2 56 . 1 1 34 34 HIS N N 15 119.19 . . 1 . . . . . 446 HIS N . 27321 2 57 . 1 1 35 35 SER H H 1 8.35 . . 1 . . . . . 447 SER H . 27321 2 58 . 1 1 35 35 SER N N 15 116.99 . . 1 . . . . . 447 SER N . 27321 2 59 . 1 1 36 36 HIS H H 1 8.47 . . 1 . . . . . 448 HIS H . 27321 2 60 . 1 1 36 36 HIS N N 15 121.57 . . 1 . . . . . 448 HIS N . 27321 2 61 . 1 1 37 37 GLY H H 1 8.391 . . 1 . . . . . 449 GLY H . 27321 2 62 . 1 1 37 37 GLY N N 15 109.84 . . 1 . . . . . 449 GLY N . 27321 2 63 . 1 1 38 38 VAL H H 1 8.03 . . 1 . . . . . 450 VAL H . 27321 2 64 . 1 1 38 38 VAL N N 15 119.42 . . 1 . . . . . 450 VAL N . 27321 2 65 . 1 1 39 39 SER H H 1 8.43 . . 1 . . . . . 451 SER H . 27321 2 66 . 1 1 39 39 SER N N 15 119.64 . . 1 . . . . . 451 SER N . 27321 2 67 . 1 1 40 40 LEU H H 1 8.33 . . 1 . . . . . 452 LEU H . 27321 2 68 . 1 1 40 40 LEU N N 15 124.71 . . 1 . . . . . 452 LEU N . 27321 2 69 . 1 1 41 41 GLN H H 1 8.32 . . 1 . . . . . 453 GLN H . 27321 2 70 . 1 1 41 41 GLN N N 15 121.09 . . 1 . . . . . 453 GLN N . 27321 2 71 . 1 1 42 42 LEU H H 1 8.2 . . 1 . . . . . 454 LEU H . 27321 2 72 . 1 1 42 42 LEU N N 15 123.74 . . 1 . . . . . 454 LEU N . 27321 2 73 . 1 1 43 43 ALA H H 1 8.4 . . 1 . . . . . 455 ALA H . 27321 2 74 . 1 1 43 43 ALA N N 15 126.15 . . 1 . . . . . 455 ALA N . 27321 2 75 . 1 1 45 45 SER H H 1 8.36 . . 1 . . . . . 457 SER H . 27321 2 76 . 1 1 45 45 SER N N 15 115.2 . . 1 . . . . . 457 SER N . 27321 2 77 . 1 1 46 46 GLU H H 1 8.46 . . 1 . . . . . 458 GLU H . 27321 2 78 . 1 1 46 46 GLU N N 15 122.49 . . 1 . . . . . 458 GLU N . 27321 2 79 . 1 1 47 47 LEU H H 1 8.07 . . 1 . . . . . 459 LEU H . 27321 2 80 . 1 1 47 47 LEU N N 15 122.33 . . 1 . . . . . 459 LEU N . 27321 2 81 . 1 1 48 48 ARG H H 1 8.22 . . 1 . . . . . 460 ARG H . 27321 2 82 . 1 1 48 48 ARG N N 15 121.75 . . 1 . . . . . 460 ARG N . 27321 2 83 . 1 1 49 49 GLN H H 1 8.34 . . 1 . . . . . 461 GLN H . 27321 2 84 . 1 1 49 49 GLN N N 15 122.5 . . 1 . . . . . 461 GLN N . 27321 2 85 . 1 1 51 51 LYS H H 1 8.43 . . 1 . . . . . 463 LYS H . 27321 2 86 . 1 1 51 51 LYS N N 15 123.04 . . 1 . . . . . 463 LYS N . 27321 2 87 . 1 1 54 54 HIS H H 1 8.24 . . 1 . . . . . 466 HIS H . 27321 2 88 . 1 1 54 54 HIS N N 15 118.73 . . 1 . . . . . 466 HIS N . 27321 2 89 . 1 1 55 55 GLU H H 1 8.33 . . 1 . . . . . 467 GLU H . 27321 2 90 . 1 1 55 55 GLU N N 15 123.02 . . 1 . . . . . 467 GLU N . 27321 2 91 . 1 1 56 56 GLY H H 1 8.49 . . 1 . . . . . 468 GLY H . 27321 2 92 . 1 1 56 56 GLY N N 15 110.5 . . 1 . . . . . 468 GLY N . 27321 2 93 . 1 1 57 57 SER H H 1 8.25 . . 1 . . . . . 469 SER H . 27321 2 94 . 1 1 57 57 SER N N 15 115.75 . . 1 . . . . . 469 SER N . 27321 2 95 . 1 1 58 58 ARG H H 1 8.46 . . 1 . . . . . 470 ARG H . 27321 2 96 . 1 1 58 58 ARG N N 15 123.17 . . 1 . . . . . 470 ARG N . 27321 2 97 . 1 1 59 59 ALA H H 1 8.39 . . 1 . . . . . 471 ALA H . 27321 2 98 . 1 1 59 59 ALA N N 15 124.96 . . 1 . . . . . 471 ALA N . 27321 2 99 . 1 1 60 60 ASP H H 1 8.29 . . 1 . . . . . 472 ASP H . 27321 2 100 . 1 1 60 60 ASP N N 15 118.17 . . 1 . . . . . 472 ASP N . 27321 2 101 . 1 1 61 61 LEU H H 1 7.91 . . 1 . . . . . 473 LEU H . 27321 2 102 . 1 1 61 61 LEU N N 15 121.51 . . 1 . . . . . 473 LEU N . 27321 2 103 . 1 1 62 62 VAL H H 1 8.08 . . 1 . . . . . 474 VAL H . 27321 2 104 . 1 1 62 62 VAL N N 15 121.38 . . 1 . . . . . 474 VAL N . 27321 2 105 . 1 1 63 63 ALA H H 1 8.35 . . 1 . . . . . 475 ALA H . 27321 2 106 . 1 1 63 63 ALA N N 15 127.94 . . 1 . . . . . 475 ALA N . 27321 2 107 . 1 1 64 64 GLU H H 1 8.36 . . 1 . . . . . 476 GLU H . 27321 2 108 . 1 1 64 64 GLU N N 15 120.24 . . 1 . . . . . 476 GLU N . 27321 2 109 . 1 1 65 65 GLU H H 1 8.4 . . 1 . . . . . 477 GLU H . 27321 2 110 . 1 1 65 65 GLU N N 15 121.86 . . 1 . . . . . 477 GLU N . 27321 2 111 . 1 1 66 66 SER H H 1 8.41 . . 1 . . . . . 478 SER H . 27321 2 112 . 1 1 66 66 SER N N 15 117.99 . . 1 . . . . . 478 SER N . 27321 2 113 . 1 1 68 68 GLU H H 1 8.57 . . 1 . . . . . 480 GLU H . 27321 2 114 . 1 1 68 68 GLU N N 15 120.04 . . 1 . . . . . 480 GLU N . 27321 2 115 . 1 1 69 69 LEU H H 1 8.03 . . 1 . . . . . 481 LEU H . 27321 2 116 . 1 1 69 69 LEU N N 15 122.33 . . 1 . . . . . 481 LEU N . 27321 2 117 . 1 1 70 70 LEU H H 1 8 . . 1 . . . . . 482 LEU H . 27321 2 118 . 1 1 70 70 LEU N N 15 121.82 . . 1 . . . . . 482 LEU N . 27321 2 119 . 1 1 71 71 ASN H H 1 8.29 . . 1 . . . . . 483 ASN H . 27321 2 120 . 1 1 71 71 ASN N N 15 119.7 . . 1 . . . . . 483 ASN N . 27321 2 121 . 1 1 73 73 GLU H H 1 8.36 . . 1 . . . . . 485 GLU H . 27321 2 122 . 1 1 73 73 GLU N N 15 122.15 . . 1 . . . . . 485 GLU N . 27321 2 123 . 1 1 75 75 ARG H H 1 8.35 . . 1 . . . . . 487 ARG H . 27321 2 124 . 1 1 75 75 ARG N N 15 122.7 . . 1 . . . . . 487 ARG N . 27321 2 125 . 1 1 76 76 ARG H H 1 8.42 . . 1 . . . . . 488 ARG H . 27321 2 126 . 1 1 76 76 ARG N N 15 120.82 . . 1 . . . . . 488 ARG N . 27321 2 127 . 1 1 77 77 LEU H H 1 8.33 . . 1 . . . . . 489 LEU H . 27321 2 128 . 1 1 77 77 LEU N N 15 123.54 . . 1 . . . . . 489 LEU N . 27321 2 129 . 1 1 78 78 SER H H 1 8.26 . . 1 . . . . . 490 SER H . 27321 2 130 . 1 1 78 78 SER N N 15 117.98 . . 1 . . . . . 490 SER N . 27321 2 131 . 1 1 80 80 GLU H H 1 8.62 . . 1 . . . . . 492 GLU H . 27321 2 132 . 1 1 80 80 GLU N N 15 119.54 . . 1 . . . . . 492 GLU N . 27321 2 133 . 1 1 81 81 LEU H H 1 8.04 . . 1 . . . . . 493 LEU H . 27321 2 134 . 1 1 81 81 LEU N N 15 122.56 . . 1 . . . . . 493 LEU N . 27321 2 135 . 1 1 82 82 ARG H H 1 8.14 . . 1 . . . . . 494 ARG H . 27321 2 136 . 1 1 82 82 ARG N N 15 120.98 . . 1 . . . . . 494 ARG N . 27321 2 137 . 1 1 84 84 LEU H H 1 8.09 . . 1 . . . . . 496 LEU H . 27321 2 138 . 1 1 84 84 LEU N N 15 123.99 . . 1 . . . . . 496 LEU N . 27321 2 139 . 1 1 86 86 TYR H H 1 8.16 . . 1 . . . . . 498 TYR H . 27321 2 140 . 1 1 86 86 TYR N N 15 119.96 . . 1 . . . . . 498 TYR N . 27321 2 141 . 1 1 87 87 GLY H H 1 8.24 . . 1 . . . . . 499 GLY H . 27321 2 142 . 1 1 87 87 GLY N N 15 110.98 . . 1 . . . . . 499 GLY N . 27321 2 143 . 1 1 89 89 GLY H H 1 8.42 . . 1 . . . . . 501 GLY H . 27321 2 144 . 1 1 89 89 GLY N N 15 110.3 . . 1 . . . . . 501 GLY N . 27321 2 145 . 1 1 90 90 LEU H H 1 8.2 . . 1 . . . . . 502 LEU H . 27321 2 146 . 1 1 90 90 LEU N N 15 121.55 . . 1 . . . . . 502 LEU N . 27321 2 147 . 1 1 91 91 SER H H 1 8.3 . . 1 . . . . . 503 SER H . 27321 2 148 . 1 1 91 91 SER N N 15 116.18 . . 1 . . . . . 503 SER N . 27321 2 149 . 1 1 92 92 ALA H H 1 8.25 . . 1 . . . . . 504 ALA H . 27321 2 150 . 1 1 92 92 ALA N N 15 125.2 . . 1 . . . . . 504 ALA N . 27321 2 151 . 1 1 93 93 TRP H H 1 7.95 . . 1 . . . . . 505 TRP H . 27321 2 152 . 1 1 93 93 TRP N N 15 119.02 . . 1 . . . . . 505 TRP N . 27321 2 153 . 1 1 94 94 SER H H 1 7.87 . . 1 . . . . . 506 SER H . 27321 2 154 . 1 1 94 94 SER N N 15 116.89 . . 1 . . . . . 506 SER N . 27321 2 155 . 1 1 95 95 HIS H H 1 8.09 . . 1 . . . . . 507 HIS H . 27321 2 156 . 1 1 95 95 HIS N N 15 122.3 . . 1 . . . . . 507 HIS N . 27321 2 157 . 1 1 97 97 GLN H H 1 8.74 . . 1 . . . . . 509 GLN H . 27321 2 158 . 1 1 97 97 GLN N N 15 120.54 . . 1 . . . . . 509 GLN N . 27321 2 159 . 1 1 98 98 PHE H H 1 8.16 . . 1 . . . . . 510 PHE H . 27321 2 160 . 1 1 98 98 PHE N N 15 120.43 . . 1 . . . . . 510 PHE N . 27321 2 161 . 1 1 99 99 GLU H H 1 8.31 . . 1 . . . . . 511 GLU H . 27321 2 162 . 1 1 99 99 GLU N N 15 122.63 . . 1 . . . . . 511 GLU N . 27321 2 163 . 1 1 100 100 LYS H H 1 7.91 . . 1 . . . . . 512 LYS H . 27321 2 164 . 1 1 100 100 LYS N N 15 127.05 . . 1 . . . . . 512 LYS N . 27321 2 stop_ save_