################################### # 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 27499 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 3 '3D HNCACB' . . . 27499 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 28 28 VAL H H 1 8.524 0.000 . 1 . . . . . 28 VAL H . 27499 1 2 . 1 . 1 28 28 VAL CA C 13 57.250 0.000 . 1 . . . . . 28 VAL CA . 27499 1 3 . 1 . 1 28 28 VAL CB C 13 30.345 0.000 . 1 . . . . . 28 VAL CB . 27499 1 4 . 1 . 1 28 28 VAL N N 15 126.488 0.000 . 1 . . . . . 28 VAL N . 27499 1 5 . 1 . 1 29 29 GLY H H 1 9.584 0.000 . 1 . . . . . 29 GLY H . 27499 1 6 . 1 . 1 29 29 GLY HA2 H 1 4.788 0.000 . 1 . . . . . 29 GLY HA . 27499 1 7 . 1 . 1 29 29 GLY HA3 H 1 4.788 0.000 . 1 . . . . . 29 GLY HA . 27499 1 8 . 1 . 1 29 29 GLY C C 13 171.606 0.000 . 1 . . . . . 29 GLY C . 27499 1 9 . 1 . 1 29 29 GLY CA C 13 40.281 0.000 . 1 . . . . . 29 GLY CA . 27499 1 10 . 1 . 1 29 29 GLY N N 15 113.190 0.000 . 1 . . . . . 29 GLY N . 27499 1 11 . 1 . 1 30 30 ASN H H 1 9.057 0.000 . 1 . . . . . 30 ASN H . 27499 1 12 . 1 . 1 30 30 ASN CA C 13 51.198 0.000 . 1 . . . . . 30 ASN CA . 27499 1 13 . 1 . 1 30 30 ASN CB C 13 35.697 0.000 . 1 . . . . . 30 ASN CB . 27499 1 14 . 1 . 1 30 30 ASN N N 15 115.880 0.000 . 1 . . . . . 30 ASN N . 27499 1 15 . 1 . 1 31 31 LEU H H 1 6.653 0.000 . 1 . . . . . 31 LEU H . 27499 1 16 . 1 . 1 31 31 LEU CA C 13 50.066 0.000 . 1 . . . . . 31 LEU CA . 27499 1 17 . 1 . 1 31 31 LEU CB C 13 39.566 0.000 . 1 . . . . . 31 LEU CB . 27499 1 18 . 1 . 1 31 31 LEU N N 15 111.810 0.000 . 1 . . . . . 31 LEU N . 27499 1 19 . 1 . 1 39 39 ASP H H 1 7.081 0.000 . 1 . . . . . 39 ASP H . 27499 1 20 . 1 . 1 39 39 ASP CA C 13 54.753 0.000 . 1 . . . . . 39 ASP CA . 27499 1 21 . 1 . 1 39 39 ASP CB C 13 38.728 0.000 . 1 . . . . . 39 ASP CB . 27499 1 22 . 1 . 1 39 39 ASP N N 15 116.962 0.000 . 1 . . . . . 39 ASP N . 27499 1 23 . 1 . 1 40 40 ILE H H 1 7.313 0.000 . 1 . . . . . 40 ILE H . 27499 1 24 . 1 . 1 40 40 ILE CA C 13 62.392 0.000 . 1 . . . . . 40 ILE CA . 27499 1 25 . 1 . 1 40 40 ILE CB C 13 34.021 0.000 . 1 . . . . . 40 ILE CB . 27499 1 26 . 1 . 1 40 40 ILE N N 15 118.189 0.000 . 1 . . . . . 40 ILE N . 27499 1 27 . 1 . 1 41 41 GLU H H 1 8.180 0.000 . 1 . . . . . 41 GLU H . 27499 1 28 . 1 . 1 41 41 GLU CA C 13 58.087 0.000 . 1 . . . . . 41 GLU CA . 27499 1 29 . 1 . 1 41 41 GLU CB C 13 26.928 0.000 . 1 . . . . . 41 GLU CB . 27499 1 30 . 1 . 1 41 41 GLU N N 15 121.112 0.000 . 1 . . . . . 41 GLU N . 27499 1 31 . 1 . 1 42 42 ASP H H 1 8.016 0.000 . 1 . . . . . 42 ASP H . 27499 1 32 . 1 . 1 42 42 ASP CA C 13 55.214 0.000 . 1 . . . . . 42 ASP CA . 27499 1 33 . 1 . 1 42 42 ASP CB C 13 37.696 0.000 . 1 . . . . . 42 ASP CB . 27499 1 34 . 1 . 1 42 42 ASP N N 15 117.287 0.000 . 1 . . . . . 42 ASP N . 27499 1 35 . 1 . 1 43 43 VAL H H 1 7.734 0.000 . 1 . . . . . 43 VAL H . 27499 1 36 . 1 . 1 43 43 VAL CA C 13 62.633 0.000 . 1 . . . . . 43 VAL CA . 27499 1 37 . 1 . 1 43 43 VAL CB C 13 29.056 0.000 . 1 . . . . . 43 VAL CB . 27499 1 38 . 1 . 1 43 43 VAL N N 15 118.225 0.000 . 1 . . . . . 43 VAL N . 27499 1 39 . 1 . 1 44 44 PHE H H 1 7.805 0.000 . 1 . . . . . 44 PHE H . 27499 1 40 . 1 . 1 44 44 PHE CA C 13 57.998 0.000 . 1 . . . . . 44 PHE CA . 27499 1 41 . 1 . 1 44 44 PHE CB C 13 38.405 0.000 . 1 . . . . . 44 PHE CB . 27499 1 42 . 1 . 1 44 44 PHE N N 15 116.204 0.000 . 1 . . . . . 44 PHE N . 27499 1 43 . 1 . 1 45 45 TYR H H 1 8.721 0.000 . 1 . . . . . 45 TYR H . 27499 1 44 . 1 . 1 45 45 TYR CA C 13 58.833 0.000 . 1 . . . . . 45 TYR CA . 27499 1 45 . 1 . 1 45 45 TYR CB C 13 34.601 0.000 . 1 . . . . . 45 TYR CB . 27499 1 46 . 1 . 1 45 45 TYR N N 15 121.508 0.000 . 1 . . . . . 45 TYR N . 27499 1 47 . 1 . 1 46 46 LYS H H 1 7.701 0.000 . 1 . . . . . 46 LYS H . 27499 1 48 . 1 . 1 46 46 LYS CA C 13 54.650 0.000 . 1 . . . . . 46 LYS CA . 27499 1 49 . 1 . 1 46 46 LYS CB C 13 28.024 0.000 . 1 . . . . . 46 LYS CB . 27499 1 50 . 1 . 1 46 46 LYS N N 15 115.771 0.000 . 1 . . . . . 46 LYS N . 27499 1 51 . 1 . 1 47 47 TYR H H 1 7.693 0.000 . 1 . . . . . 47 TYR H . 27499 1 52 . 1 . 1 47 47 TYR CA C 13 57.792 0.000 . 1 . . . . . 47 TYR CA . 27499 1 53 . 1 . 1 47 47 TYR CB C 13 35.762 0.000 . 1 . . . . . 47 TYR CB . 27499 1 54 . 1 . 1 47 47 TYR N N 15 117.648 0.000 . 1 . . . . . 47 TYR N . 27499 1 55 . 1 . 1 48 48 GLY H H 1 7.256 0.000 . 1 . . . . . 48 GLY H . 27499 1 56 . 1 . 1 48 48 GLY CA C 13 41.517 0.000 . 1 . . . . . 48 GLY CA . 27499 1 57 . 1 . 1 48 48 GLY N N 15 103.503 0.000 . 1 . . . . . 48 GLY N . 27499 1 58 . 1 . 1 49 49 ALA H H 1 8.182 0.000 . 1 . . . . . 49 ALA H . 27499 1 59 . 1 . 1 49 49 ALA CA C 13 50.820 0.000 . 1 . . . . . 49 ALA CA . 27499 1 60 . 1 . 1 49 49 ALA CB C 13 15.966 0.000 . 1 . . . . . 49 ALA CB . 27499 1 61 . 1 . 1 49 49 ALA N N 15 119.776 0.000 . 1 . . . . . 49 ALA N . 27499 1 62 . 1 . 1 50 50 ILE H H 1 8.458 0.000 . 1 . . . . . 50 ILE H . 27499 1 63 . 1 . 1 50 50 ILE CA C 13 58.737 0.000 . 1 . . . . . 50 ILE CA . 27499 1 64 . 1 . 1 50 50 ILE CB C 13 37.594 0.000 . 1 . . . . . 50 ILE CB . 27499 1 65 . 1 . 1 50 50 ILE N N 15 123.962 0.000 . 1 . . . . . 50 ILE N . 27499 1 66 . 1 . 1 51 51 ARG H H 1 9.280 0.000 . 1 . . . . . 51 ARG H . 27499 1 67 . 1 . 1 51 51 ARG HA H 1 4.865 0.000 . 1 . . . . . 51 ARG HA . 27499 1 68 . 1 . 1 51 51 ARG C C 13 170.956 0.000 . 1 . . . . . 51 ARG C . 27499 1 69 . 1 . 1 51 51 ARG CA C 13 54.330 0.000 . 1 . . . . . 51 ARG CA . 27499 1 70 . 1 . 1 51 51 ARG CB C 13 28.669 0.000 . 1 . . . . . 51 ARG CB . 27499 1 71 . 1 . 1 51 51 ARG N N 15 128.117 0.000 . 1 . . . . . 51 ARG N . 27499 1 72 . 1 . 1 52 52 ASP H H 1 7.546 0.000 . 1 . . . . . 52 ASP H . 27499 1 73 . 1 . 1 52 52 ASP CA C 13 51.869 0.000 . 1 . . . . . 52 ASP CA . 27499 1 74 . 1 . 1 52 52 ASP CB C 13 42.274 0.000 . 1 . . . . . 52 ASP CB . 27499 1 75 . 1 . 1 52 52 ASP N N 15 116.168 0.000 . 1 . . . . . 52 ASP N . 27499 1 76 . 1 . 1 53 53 ILE H H 1 7.945 0.000 . 1 . . . . . 53 ILE H . 27499 1 77 . 1 . 1 53 53 ILE CA C 13 58.719 0.000 . 1 . . . . . 53 ILE CA . 27499 1 78 . 1 . 1 53 53 ILE CB C 13 38.276 0.000 . 1 . . . . . 53 ILE CB . 27499 1 79 . 1 . 1 53 53 ILE N N 15 122.302 0.000 . 1 . . . . . 53 ILE N . 27499 1 80 . 1 . 1 54 54 ASP H H 1 8.991 0.000 . 1 . . . . . 54 ASP H . 27499 1 81 . 1 . 1 54 54 ASP CA C 13 49.552 0.000 . 1 . . . . . 54 ASP CA . 27499 1 82 . 1 . 1 54 54 ASP CB C 13 39.824 0.000 . 1 . . . . . 54 ASP CB . 27499 1 83 . 1 . 1 54 54 ASP N N 15 128.880 0.000 . 1 . . . . . 54 ASP N . 27499 1 84 . 1 . 1 55 55 LEU H H 1 8.297 0.000 . 1 . . . . . 55 LEU H . 27499 1 85 . 1 . 1 55 55 LEU CA C 13 52.048 0.000 . 1 . . . . . 55 LEU CA . 27499 1 86 . 1 . 1 55 55 LEU CB C 13 40.920 0.000 . 1 . . . . . 55 LEU CB . 27499 1 87 . 1 . 1 55 55 LEU N N 15 126.271 0.000 . 1 . . . . . 55 LEU N . 27499 1 88 . 1 . 1 56 56 LYS H H 1 8.971 0.000 . 1 . . . . . 56 LYS H . 27499 1 89 . 1 . 1 56 56 LYS C C 13 170.838 0.000 . 1 . . . . . 56 LYS C . 27499 1 90 . 1 . 1 56 56 LYS CA C 13 51.560 0.000 . 1 . . . . . 56 LYS CA . 27499 1 91 . 1 . 1 56 56 LYS CB C 13 38.566 0.000 . 1 . . . . . 56 LYS CB . 27499 1 92 . 1 . 1 56 56 LYS N N 15 128.827 0.000 . 1 . . . . . 56 LYS N . 27499 1 93 . 1 . 1 57 57 ASN H H 1 8.341 0.000 . 1 . . . . . 57 ASN H . 27499 1 94 . 1 . 1 57 57 ASN CA C 13 57.039 0.000 . 1 . . . . . 57 ASN CA . 27499 1 95 . 1 . 1 57 57 ASN CB C 13 26.428 0.000 . 1 . . . . . 57 ASN CB . 27499 1 96 . 1 . 1 57 57 ASN N N 15 115.338 0.000 . 1 . . . . . 57 ASN N . 27499 1 97 . 1 . 1 58 58 ARG H H 1 7.759 0.000 . 1 . . . . . 58 ARG H . 27499 1 98 . 1 . 1 58 58 ARG CA C 13 52.641 0.000 . 1 . . . . . 58 ARG CA . 27499 1 99 . 1 . 1 58 58 ARG CB C 13 29.894 0.000 . 1 . . . . . 58 ARG CB . 27499 1 100 . 1 . 1 58 58 ARG N N 15 121.797 0.000 . 1 . . . . . 58 ARG N . 27499 1 101 . 1 . 1 59 59 ARG H H 1 9.038 0.000 . 1 . . . . . 59 ARG H . 27499 1 102 . 1 . 1 59 59 ARG CA C 13 56.666 0.000 . 1 . . . . . 59 ARG CA . 27499 1 103 . 1 . 1 59 59 ARG CB C 13 37.374 0.000 . 1 . . . . . 59 ARG CB . 27499 1 104 . 1 . 1 59 59 ARG N N 15 116.746 0.000 . 1 . . . . . 59 ARG N . 27499 1 105 . 1 . 1 64 64 PHE H H 1 7.709 0.000 . 1 . . . . . 64 PHE H . 27499 1 106 . 1 . 1 64 64 PHE CA C 13 52.281 0.000 . 1 . . . . . 64 PHE CA . 27499 1 107 . 1 . 1 64 64 PHE CB C 13 38.599 0.000 . 1 . . . . . 64 PHE CB . 27499 1 108 . 1 . 1 64 64 PHE N N 15 114.291 0.000 . 1 . . . . . 64 PHE N . 27499 1 109 . 1 . 1 65 65 ALA H H 1 9.243 0.000 . 1 . . . . . 65 ALA H . 27499 1 110 . 1 . 1 65 65 ALA CA C 13 46.845 0.000 . 1 . . . . . 65 ALA CA . 27499 1 111 . 1 . 1 65 65 ALA CB C 13 20.802 0.000 . 1 . . . . . 65 ALA CB . 27499 1 112 . 1 . 1 65 65 ALA N N 15 120.101 0.000 . 1 . . . . . 65 ALA N . 27499 1 113 . 1 . 1 66 66 PHE H H 1 8.360 0.000 . 1 . . . . . 66 PHE H . 27499 1 114 . 1 . 1 66 66 PHE CA C 13 53.389 0.000 . 1 . . . . . 66 PHE CA . 27499 1 115 . 1 . 1 66 66 PHE CB C 13 39.373 0.000 . 1 . . . . . 66 PHE CB . 27499 1 116 . 1 . 1 66 66 PHE N N 15 115.591 0.000 . 1 . . . . . 66 PHE N . 27499 1 117 . 1 . 1 67 67 VAL H H 1 8.753 0.000 . 1 . . . . . 67 VAL H . 27499 1 118 . 1 . 1 67 67 VAL CA C 13 58.312 0.000 . 1 . . . . . 67 VAL CA . 27499 1 119 . 1 . 1 67 67 VAL CB C 13 30.410 0.000 . 1 . . . . . 67 VAL CB . 27499 1 120 . 1 . 1 67 67 VAL N N 15 124.179 0.000 . 1 . . . . . 67 VAL N . 27499 1 121 . 1 . 1 68 68 GLU H H 1 8.879 0.000 . 1 . . . . . 68 GLU H . 27499 1 122 . 1 . 1 68 68 GLU CA C 13 51.782 0.000 . 1 . . . . . 68 GLU CA . 27499 1 123 . 1 . 1 68 68 GLU CB C 13 30.216 0.000 . 1 . . . . . 68 GLU CB . 27499 1 124 . 1 . 1 68 68 GLU N N 15 127.462 0.000 . 1 . . . . . 68 GLU N . 27499 1 125 . 1 . 1 69 69 PHE H H 1 8.849 0.000 . 1 . . . . . 69 PHE H . 27499 1 126 . 1 . 1 69 69 PHE CA C 13 56.082 0.000 . 1 . . . . . 69 PHE CA . 27499 1 127 . 1 . 1 69 69 PHE CB C 13 38.083 0.000 . 1 . . . . . 69 PHE CB . 27499 1 128 . 1 . 1 69 69 PHE N N 15 127.210 0.000 . 1 . . . . . 69 PHE N . 27499 1 129 . 1 . 1 70 70 GLU H H 1 9.079 0.000 . 1 . . . . . 70 GLU H . 27499 1 130 . 1 . 1 70 70 GLU CA C 13 53.853 0.000 . 1 . . . . . 70 GLU CA . 27499 1 131 . 1 . 1 70 70 GLU CB C 13 36.729 0.000 . 1 . . . . . 70 GLU CB . 27499 1 132 . 1 . 1 70 70 GLU N N 15 123.746 0.000 . 1 . . . . . 70 GLU N . 27499 1 133 . 1 . 1 73 73 ARG H H 1 8.917 0.000 . 1 . . . . . 73 ARG H . 27499 1 134 . 1 . 1 73 73 ARG CA C 13 55.976 0.000 . 1 . . . . . 73 ARG CA . 27499 1 135 . 1 . 1 73 73 ARG CB C 13 27.315 0.000 . 1 . . . . . 73 ARG CB . 27499 1 136 . 1 . 1 73 73 ARG N N 15 120.823 0.000 . 1 . . . . . 73 ARG N . 27499 1 137 . 1 . 1 74 74 ASP H H 1 7.207 0.000 . 1 . . . . . 74 ASP H . 27499 1 138 . 1 . 1 74 74 ASP CA C 13 54.238 0.000 . 1 . . . . . 74 ASP CA . 27499 1 139 . 1 . 1 74 74 ASP CB C 13 36.922 0.000 . 1 . . . . . 74 ASP CB . 27499 1 140 . 1 . 1 74 74 ASP N N 15 121.364 0.000 . 1 . . . . . 74 ASP N . 27499 1 141 . 1 . 1 75 75 ALA H H 1 6.822 0.000 . 1 . . . . . 75 ALA H . 27499 1 142 . 1 . 1 75 75 ALA CA C 13 51.972 0.000 . 1 . . . . . 75 ALA CA . 27499 1 143 . 1 . 1 75 75 ALA CB C 13 15.644 0.000 . 1 . . . . . 75 ALA CB . 27499 1 144 . 1 . 1 75 75 ALA N N 15 119.343 0.000 . 1 . . . . . 75 ALA N . 27499 1 145 . 1 . 1 76 76 GLU H H 1 7.658 0.000 . 1 . . . . . 76 GLU H . 27499 1 146 . 1 . 1 76 76 GLU CA C 13 57.174 0.000 . 1 . . . . . 76 GLU CA . 27499 1 147 . 1 . 1 76 76 GLU CB C 13 26.799 0.000 . 1 . . . . . 76 GLU CB . 27499 1 148 . 1 . 1 76 76 GLU N N 15 116.204 0.000 . 1 . . . . . 76 GLU N . 27499 1 149 . 1 . 1 77 77 ASP H H 1 7.874 0.000 . 1 . . . . . 77 ASP H . 27499 1 150 . 1 . 1 77 77 ASP CA C 13 54.599 0.000 . 1 . . . . . 77 ASP CA . 27499 1 151 . 1 . 1 77 77 ASP CB C 13 37.567 0.000 . 1 . . . . . 77 ASP CB . 27499 1 152 . 1 . 1 77 77 ASP N N 15 118.874 0.000 . 1 . . . . . 77 ASP N . 27499 1 153 . 1 . 1 78 78 ALA H H 1 7.767 0.000 . 1 . . . . . 78 ALA H . 27499 1 154 . 1 . 1 78 78 ALA CA C 13 51.714 0.000 . 1 . . . . . 78 ALA CA . 27499 1 155 . 1 . 1 78 78 ALA CB C 13 16.740 0.000 . 1 . . . . . 78 ALA CB . 27499 1 156 . 1 . 1 78 78 ALA N N 15 123.709 0.000 . 1 . . . . . 78 ALA N . 27499 1 157 . 1 . 1 79 79 VAL H H 1 7.562 0.000 . 1 . . . . . 79 VAL H . 27499 1 158 . 1 . 1 79 79 VAL CA C 13 63.766 0.000 . 1 . . . . . 79 VAL CA . 27499 1 159 . 1 . 1 79 79 VAL CB C 13 28.217 0.000 . 1 . . . . . 79 VAL CB . 27499 1 160 . 1 . 1 79 79 VAL N N 15 118.838 0.000 . 1 . . . . . 79 VAL N . 27499 1 161 . 1 . 1 80 80 TYR H H 1 7.606 0.000 . 1 . . . . . 80 TYR H . 27499 1 162 . 1 . 1 80 80 TYR CA C 13 57.586 0.000 . 1 . . . . . 80 TYR CA . 27499 1 163 . 1 . 1 80 80 TYR CB C 13 34.988 0.000 . 1 . . . . . 80 TYR CB . 27499 1 164 . 1 . 1 80 80 TYR N N 15 116.060 0.000 . 1 . . . . . 80 TYR N . 27499 1 165 . 1 . 1 81 81 GLY H H 1 8.502 0.000 . 1 . . . . . 81 GLY H . 27499 1 166 . 1 . 1 81 81 GLY CA C 13 43.577 0.000 . 1 . . . . . 81 GLY CA . 27499 1 167 . 1 . 1 81 81 GLY N N 15 104.802 0.000 . 1 . . . . . 81 GLY N . 27499 1 168 . 1 . 1 82 82 ARG H H 1 8.004 0.000 . 1 . . . . . 82 ARG H . 27499 1 169 . 1 . 1 82 82 ARG CA C 13 51.145 0.000 . 1 . . . . . 82 ARG CA . 27499 1 170 . 1 . 1 82 82 ARG CB C 13 29.507 0.000 . 1 . . . . . 82 ARG CB . 27499 1 171 . 1 . 1 82 82 ARG N N 15 115.939 0.000 . 1 . . . . . 82 ARG N . 27499 1 172 . 1 . 1 83 83 ASP H H 1 7.942 0.000 . 1 . . . . . 83 ASP H . 27499 1 173 . 1 . 1 83 83 ASP CA C 13 55.783 0.000 . 1 . . . . . 83 ASP CA . 27499 1 174 . 1 . 1 83 83 ASP CB C 13 38.288 0.000 . 1 . . . . . 83 ASP CB . 27499 1 175 . 1 . 1 83 83 ASP N N 15 120.282 0.000 . 1 . . . . . 83 ASP N . 27499 1 176 . 1 . 1 84 84 GLY H H 1 9.051 0.000 . 1 . . . . . 84 GLY H . 27499 1 177 . 1 . 1 84 84 GLY CA C 13 43.022 0.000 . 1 . . . . . 84 GLY CA . 27499 1 178 . 1 . 1 84 84 GLY N N 15 117.684 0.000 . 1 . . . . . 84 GLY N . 27499 1 179 . 1 . 1 85 85 TYR H H 1 8.122 0.000 . 1 . . . . . 85 TYR H . 27499 1 180 . 1 . 1 85 85 TYR CA C 13 55.890 0.000 . 1 . . . . . 85 TYR CA . 27499 1 181 . 1 . 1 85 85 TYR CB C 13 37.503 0.000 . 1 . . . . . 85 TYR CB . 27499 1 182 . 1 . 1 85 85 TYR N N 15 122.844 0.000 . 1 . . . . . 85 TYR N . 27499 1 183 . 1 . 1 86 86 ASP H H 1 7.756 0.000 . 1 . . . . . 86 ASP H . 27499 1 184 . 1 . 1 86 86 ASP CA C 13 50.993 0.000 . 1 . . . . . 86 ASP CA . 27499 1 185 . 1 . 1 86 86 ASP CB C 13 37.761 0.000 . 1 . . . . . 86 ASP CB . 27499 1 186 . 1 . 1 86 86 ASP N N 15 126.632 0.000 . 1 . . . . . 86 ASP N . 27499 1 187 . 1 . 1 87 87 TYR H H 1 9.133 0.000 . 1 . . . . . 87 TYR H . 27499 1 188 . 1 . 1 87 87 TYR CA C 13 53.311 0.000 . 1 . . . . . 87 TYR CA . 27499 1 189 . 1 . 1 87 87 TYR CB C 13 37.180 0.000 . 1 . . . . . 87 TYR CB . 27499 1 190 . 1 . 1 87 87 TYR N N 15 130.047 0.000 . 1 . . . . . 87 TYR N . 27499 1 191 . 1 . 1 88 88 ASP H H 1 8.387 0.000 . 1 . . . . . 88 ASP H . 27499 1 192 . 1 . 1 88 88 ASP CA C 13 52.685 0.000 . 1 . . . . . 88 ASP CA . 27499 1 193 . 1 . 1 88 88 ASP CB C 13 37.245 0.000 . 1 . . . . . 88 ASP CB . 27499 1 194 . 1 . 1 88 88 ASP N N 15 124.648 0.000 . 1 . . . . . 88 ASP N . 27499 1 195 . 1 . 1 89 89 GLY H H 1 8.357 0.000 . 1 . . . . . 89 GLY H . 27499 1 196 . 1 . 1 89 89 GLY CA C 13 42.599 0.000 . 1 . . . . . 89 GLY CA . 27499 1 197 . 1 . 1 89 89 GLY N N 15 104.297 0.000 . 1 . . . . . 89 GLY N . 27499 1 198 . 1 . 1 90 90 TYR H H 1 8.081 0.000 . 1 . . . . . 90 TYR H . 27499 1 199 . 1 . 1 90 90 TYR CA C 13 55.113 0.000 . 1 . . . . . 90 TYR CA . 27499 1 200 . 1 . 1 90 90 TYR CB C 13 34.859 0.000 . 1 . . . . . 90 TYR CB . 27499 1 201 . 1 . 1 90 90 TYR N N 15 123.493 0.000 . 1 . . . . . 90 TYR N . 27499 1 202 . 1 . 1 91 91 ARG H H 1 8.234 0.000 . 1 . . . . . 91 ARG H . 27499 1 203 . 1 . 1 91 91 ARG CA C 13 52.443 0.000 . 1 . . . . . 91 ARG CA . 27499 1 204 . 1 . 1 91 91 ARG CB C 13 26.347 0.000 . 1 . . . . . 91 ARG CB . 27499 1 205 . 1 . 1 91 91 ARG N N 15 122.735 0.000 . 1 . . . . . 91 ARG N . 27499 1 206 . 1 . 1 92 92 LEU H H 1 9.480 0.000 . 1 . . . . . 92 LEU H . 27499 1 207 . 1 . 1 92 92 LEU CA C 13 53.466 0.000 . 1 . . . . . 92 LEU CA . 27499 1 208 . 1 . 1 92 92 LEU CB C 13 39.695 0.000 . 1 . . . . . 92 LEU CB . 27499 1 209 . 1 . 1 92 92 LEU N N 15 129.230 0.000 . 1 . . . . . 92 LEU N . 27499 1 210 . 1 . 1 93 93 ARG H H 1 8.048 0.000 . 1 . . . . . 93 ARG H . 27499 1 211 . 1 . 1 93 93 ARG CA C 13 51.294 0.000 . 1 . . . . . 93 ARG CA . 27499 1 212 . 1 . 1 93 93 ARG CB C 13 28.862 0.000 . 1 . . . . . 93 ARG CB . 27499 1 213 . 1 . 1 93 93 ARG N N 15 123.962 0.000 . 1 . . . . . 93 ARG N . 27499 1 214 . 1 . 1 94 94 VAL H H 1 9.431 0.000 . 1 . . . . . 94 VAL H . 27499 1 215 . 1 . 1 94 94 VAL CA C 13 57.994 0.000 . 1 . . . . . 94 VAL CA . 27499 1 216 . 1 . 1 94 94 VAL CB C 13 30.410 0.000 . 1 . . . . . 94 VAL CB . 27499 1 217 . 1 . 1 94 94 VAL N N 15 127.498 0.000 . 1 . . . . . 94 VAL N . 27499 1 218 . 1 . 1 95 95 GLU H H 1 8.964 0.000 . 1 . . . . . 95 GLU H . 27499 1 219 . 1 . 1 95 95 GLU CA C 13 51.304 0.000 . 1 . . . . . 95 GLU CA . 27499 1 220 . 1 . 1 95 95 GLU CB C 13 30.474 0.000 . 1 . . . . . 95 GLU CB . 27499 1 221 . 1 . 1 95 95 GLU N N 15 120.823 0.000 . 1 . . . . . 95 GLU N . 27499 1 222 . 1 . 1 96 96 PHE H H 1 8.723 0.000 . 1 . . . . . 96 PHE H . 27499 1 223 . 1 . 1 96 96 PHE CA C 13 54.848 0.000 . 1 . . . . . 96 PHE CA . 27499 1 224 . 1 . 1 96 96 PHE CB C 13 35.310 0.000 . 1 . . . . . 96 PHE CB . 27499 1 225 . 1 . 1 96 96 PHE N N 15 120.137 0.000 . 1 . . . . . 96 PHE N . 27499 1 stop_ save_