################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52892 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CRD Assignments' _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 $chem_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' . . . 52892 1 3 '3D HNCA' . . . 52892 1 4 '3D HNCO' . . . 52892 1 5 '3D CBCA(CO)NH' . . . 52892 1 6 '3D HNCACB' . . . 52892 1 7 '3D HN(CA)CO' . . . 52892 1 8 '3D HN(CO)CA' . . . 52892 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52892 1 2 $software_2 . . 52892 1 3 $software_3 . . 52892 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 2 2 GLY C C 13 173.682 0 . 1 . . . . . 2 GLY C . 52892 1 2 . 1 . 1 2 2 GLY CA C 13 45.088 0 . 1 . . . . . 2 GLY CA . 52892 1 3 . 1 . 1 3 3 ALA H H 1 8.356 0 . 1 . . . . . 3 ALA H . 52892 1 4 . 1 . 1 3 3 ALA C C 13 177.89 0 . 1 . . . . . 3 ALA C . 52892 1 5 . 1 . 1 3 3 ALA CA C 13 53.204 0 . 1 . . . . . 3 ALA CA . 52892 1 6 . 1 . 1 3 3 ALA CB C 13 19.058 0 . 1 . . . . . 3 ALA CB . 52892 1 7 . 1 . 1 3 3 ALA N N 15 124.164 0 . 1 . . . . . 3 ALA N . 52892 1 8 . 1 . 1 4 4 GLU H H 1 8.514 0 . 1 . . . . . 4 GLU H . 52892 1 9 . 1 . 1 4 4 GLU HA H 1 4.187 0 . 1 . . . . . 4 GLU HA . 52892 1 10 . 1 . 1 4 4 GLU C C 13 176.112 0 . 1 . . . . . 4 GLU C . 52892 1 11 . 1 . 1 4 4 GLU CA C 13 56.845 0 . 1 . . . . . 4 GLU CA . 52892 1 12 . 1 . 1 4 4 GLU CB C 13 29.69 0 . 1 . . . . . 4 GLU CB . 52892 1 13 . 1 . 1 4 4 GLU N N 15 118.524 0 . 1 . . . . . 4 GLU N . 52892 1 14 . 1 . 1 5 5 PHE H H 1 8.193 0 . 1 . . . . . 5 PHE H . 52892 1 15 . 1 . 1 5 5 PHE HA H 1 4.626 0 . 1 . . . . . 5 PHE HA . 52892 1 16 . 1 . 1 5 5 PHE C C 13 175.046 0 . 1 . . . . . 5 PHE C . 52892 1 17 . 1 . 1 5 5 PHE CA C 13 57.41 0 . 1 . . . . . 5 PHE CA . 52892 1 18 . 1 . 1 5 5 PHE CB C 13 40.13 0 . 1 . . . . . 5 PHE CB . 52892 1 19 . 1 . 1 5 5 PHE N N 15 120.208 0 . 1 . . . . . 5 PHE N . 52892 1 20 . 1 . 1 6 6 SER H H 1 7.862 0 . 1 . . . . . 6 SER H . 52892 1 21 . 1 . 1 6 6 SER HA H 1 4.367 0 . 1 . . . . . 6 SER HA . 52892 1 22 . 1 . 1 6 6 SER C C 13 174.423 0 . 1 . . . . . 6 SER C . 52892 1 23 . 1 . 1 6 6 SER CA C 13 57.379 0 . 1 . . . . . 6 SER CA . 52892 1 24 . 1 . 1 6 6 SER CB C 13 64.733 0 . 1 . . . . . 6 SER CB . 52892 1 25 . 1 . 1 6 6 SER N N 15 115.589 0 . 1 . . . . . 6 SER N . 52892 1 26 . 1 . 1 7 7 SER C C 13 176.853 0 . 1 . . . . . 7 SER C . 52892 1 27 . 1 . 1 7 7 SER CA C 13 60.865 0 . 1 . . . . . 7 SER CA . 52892 1 28 . 1 . 1 7 7 SER CB C 13 63.042 0 . 1 . . . . . 7 SER CB . 52892 1 29 . 1 . 1 8 8 GLU H H 1 8.7 0 . 1 . . . . . 8 GLU H . 52892 1 30 . 1 . 1 8 8 GLU HA H 1 4.041 0 . 1 . . . . . 8 GLU HA . 52892 1 31 . 1 . 1 8 8 GLU C C 13 178.387 0 . 1 . . . . . 8 GLU C . 52892 1 32 . 1 . 1 8 8 GLU CA C 13 59.618 0 . 1 . . . . . 8 GLU CA . 52892 1 33 . 1 . 1 8 8 GLU CB C 13 29.214 0 . 1 . . . . . 8 GLU CB . 52892 1 34 . 1 . 1 8 8 GLU N N 15 121.806 0 . 1 . . . . . 8 GLU N . 52892 1 35 . 1 . 1 9 9 ALA H H 1 7.991 0 . 1 . . . . . 9 ALA H . 52892 1 36 . 1 . 1 9 9 ALA HA H 1 4.158 0 . 1 . . . . . 9 ALA HA . 52892 1 37 . 1 . 1 9 9 ALA C C 13 180.881 0 . 1 . . . . . 9 ALA C . 52892 1 38 . 1 . 1 9 9 ALA CA C 13 55.062 0 . 1 . . . . . 9 ALA CA . 52892 1 39 . 1 . 1 9 9 ALA CB C 13 18.254 0 . 1 . . . . . 9 ALA CB . 52892 1 40 . 1 . 1 9 9 ALA N N 15 123.144 0 . 1 . . . . . 9 ALA N . 52892 1 41 . 1 . 1 10 10 CYS H H 1 8.27 0 . 1 . . . . . 10 CYS H . 52892 1 42 . 1 . 1 10 10 CYS HA H 1 4.517 0 . 1 . . . . . 10 CYS HA . 52892 1 43 . 1 . 1 10 10 CYS C C 13 176.502 0 . 1 . . . . . 10 CYS C . 52892 1 44 . 1 . 1 10 10 CYS CA C 13 59.502 0 . 1 . . . . . 10 CYS CA . 52892 1 45 . 1 . 1 10 10 CYS CB C 13 40.009 0 . 1 . . . . . 10 CYS CB . 52892 1 46 . 1 . 1 10 10 CYS N N 15 116.169 0 . 1 . . . . . 10 CYS N . 52892 1 47 . 1 . 1 11 11 ARG H H 1 8.07 0 . 1 . . . . . 11 ARG H . 52892 1 48 . 1 . 1 11 11 ARG HA H 1 4.297 0 . 1 . . . . . 11 ARG HA . 52892 1 49 . 1 . 1 11 11 ARG C C 13 180.978 0 . 1 . . . . . 11 ARG C . 52892 1 50 . 1 . 1 11 11 ARG CA C 13 59.008 0 . 1 . . . . . 11 ARG CA . 52892 1 51 . 1 . 1 11 11 ARG CB C 13 29.802 0 . 1 . . . . . 11 ARG CB . 52892 1 52 . 1 . 1 11 11 ARG N N 15 121.034 0 . 1 . . . . . 11 ARG N . 52892 1 53 . 1 . 1 12 12 GLU H H 1 8.048 0 . 1 . . . . . 12 GLU H . 52892 1 54 . 1 . 1 12 12 GLU HA H 1 4.043 0 . 1 . . . . . 12 GLU HA . 52892 1 55 . 1 . 1 12 12 GLU C C 13 178.385 0 . 1 . . . . . 12 GLU C . 52892 1 56 . 1 . 1 12 12 GLU CA C 13 58.984 0 . 1 . . . . . 12 GLU CA . 52892 1 57 . 1 . 1 12 12 GLU CB C 13 29.329 0 . 1 . . . . . 12 GLU CB . 52892 1 58 . 1 . 1 12 12 GLU N N 15 121.128 0 . 1 . . . . . 12 GLU N . 52892 1 59 . 1 . 1 13 13 LEU H H 1 7.475 0 . 1 . . . . . 13 LEU H . 52892 1 60 . 1 . 1 13 13 LEU HA H 1 4.123 0 . 1 . . . . . 13 LEU HA . 52892 1 61 . 1 . 1 13 13 LEU C C 13 176.759 0 . 1 . . . . . 13 LEU C . 52892 1 62 . 1 . 1 13 13 LEU CA C 13 55.729 0 . 1 . . . . . 13 LEU CA . 52892 1 63 . 1 . 1 13 13 LEU CB C 13 42.896 0 . 1 . . . . . 13 LEU CB . 52892 1 64 . 1 . 1 13 13 LEU N N 15 118.245 0 . 1 . . . . . 13 LEU N . 52892 1 65 . 1 . 1 14 14 GLY H H 1 7.583 0 . 1 . . . . . 14 GLY H . 52892 1 66 . 1 . 1 14 14 GLY HA2 H 1 4.089 0 . 2 . . . . . 14 GLY HA2 . 52892 1 67 . 1 . 1 14 14 GLY HA3 H 1 3.579 0 . 2 . . . . . 14 GLY HA3 . 52892 1 68 . 1 . 1 14 14 GLY C C 13 173.687 0 . 1 . . . . . 14 GLY C . 52892 1 69 . 1 . 1 14 14 GLY CA C 13 44.915 0 . 1 . . . . . 14 GLY CA . 52892 1 70 . 1 . 1 14 14 GLY N N 15 104.838 0 . 1 . . . . . 14 GLY N . 52892 1 71 . 1 . 1 15 15 PHE H H 1 7.419 0 . 1 . . . . . 15 PHE H . 52892 1 72 . 1 . 1 15 15 PHE HA H 1 5.127 0 . 1 . . . . . 15 PHE HA . 52892 1 73 . 1 . 1 15 15 PHE C C 13 176.551 0 . 1 . . . . . 15 PHE C . 52892 1 74 . 1 . 1 15 15 PHE CA C 13 55.921 0 . 1 . . . . . 15 PHE CA . 52892 1 75 . 1 . 1 15 15 PHE CB C 13 39.838 0 . 1 . . . . . 15 PHE CB . 52892 1 76 . 1 . 1 15 15 PHE N N 15 117.509 0 . 1 . . . . . 15 PHE N . 52892 1 77 . 1 . 1 16 16 SER H H 1 8.188 0 . 1 . . . . . 16 SER H . 52892 1 78 . 1 . 1 16 16 SER CA C 13 57.642 0 . 1 . . . . . 16 SER CA . 52892 1 79 . 1 . 1 16 16 SER CB C 13 64.576 0 . 1 . . . . . 16 SER CB . 52892 1 80 . 1 . 1 16 16 SER N N 15 116.905 0 . 1 . . . . . 16 SER N . 52892 1 81 . 1 . 1 17 17 SER C C 13 174.32 0 . 1 . . . . . 17 SER C . 52892 1 82 . 1 . 1 17 17 SER CA C 13 60.579 0 . 1 . . . . . 17 SER CA . 52892 1 83 . 1 . 1 17 17 SER CB C 13 62.869 0 . 1 . . . . . 17 SER CB . 52892 1 84 . 1 . 1 18 18 ASN H H 1 8.103 0 . 1 . . . . . 18 ASN H . 52892 1 85 . 1 . 1 18 18 ASN C C 13 174.03 0 . 1 . . . . . 18 ASN C . 52892 1 86 . 1 . 1 18 18 ASN CA C 13 52.011 0 . 1 . . . . . 18 ASN CA . 52892 1 87 . 1 . 1 18 18 ASN CB C 13 37.938 0 . 1 . . . . . 18 ASN CB . 52892 1 88 . 1 . 1 18 18 ASN N N 15 118.557 0 . 1 . . . . . 18 ASN N . 52892 1 89 . 1 . 1 19 19 LEU H H 1 6.917 0 . 1 . . . . . 19 LEU H . 52892 1 90 . 1 . 1 19 19 LEU HA H 1 4.015 0 . 1 . . . . . 19 LEU HA . 52892 1 91 . 1 . 1 19 19 LEU C C 13 175.522 0 . 1 . . . . . 19 LEU C . 52892 1 92 . 1 . 1 19 19 LEU CA C 13 55.808 0 . 1 . . . . . 19 LEU CA . 52892 1 93 . 1 . 1 19 19 LEU CB C 13 43.082 0 . 1 . . . . . 19 LEU CB . 52892 1 94 . 1 . 1 19 19 LEU N N 15 120.71 0 . 1 . . . . . 19 LEU N . 52892 1 95 . 1 . 1 20 20 LEU H H 1 8.333 0 . 1 . . . . . 20 LEU H . 52892 1 96 . 1 . 1 20 20 LEU C C 13 179.494 0 . 1 . . . . . 20 LEU C . 52892 1 97 . 1 . 1 20 20 LEU CA C 13 52.982 0 . 1 . . . . . 20 LEU CA . 52892 1 98 . 1 . 1 20 20 LEU CB C 13 43.371 0 . 1 . . . . . 20 LEU CB . 52892 1 99 . 1 . 1 20 20 LEU N N 15 131.017 0 . 1 . . . . . 20 LEU N . 52892 1 100 . 1 . 1 21 21 CYS H H 1 8.77 0 . 1 . . . . . 21 CYS H . 52892 1 101 . 1 . 1 21 21 CYS HA H 1 4.486 0 . 1 . . . . . 21 CYS HA . 52892 1 102 . 1 . 1 21 21 CYS C C 13 177.574 0 . 1 . . . . . 21 CYS C . 52892 1 103 . 1 . 1 21 21 CYS CA C 13 57.38 0 . 1 . . . . . 21 CYS CA . 52892 1 104 . 1 . 1 21 21 CYS CB C 13 39.443 0 . 1 . . . . . 21 CYS CB . 52892 1 105 . 1 . 1 21 21 CYS N N 15 122.497 0 . 1 . . . . . 21 CYS N . 52892 1 106 . 1 . 1 22 22 SER H H 1 8.61 0 . 1 . . . . . 22 SER H . 52892 1 107 . 1 . 1 22 22 SER HA H 1 4.217 0 . 1 . . . . . 22 SER HA . 52892 1 108 . 1 . 1 22 22 SER C C 13 177.714 0 . 1 . . . . . 22 SER C . 52892 1 109 . 1 . 1 22 22 SER CA C 13 60.196 0 . 1 . . . . . 22 SER CA . 52892 1 110 . 1 . 1 22 22 SER CB C 13 61.721 0 . 1 . . . . . 22 SER CB . 52892 1 111 . 1 . 1 22 22 SER N N 15 115.512 0 . 1 . . . . . 22 SER N . 52892 1 112 . 1 . 1 23 23 SER H H 1 7.95 0 . 1 . . . . . 23 SER H . 52892 1 113 . 1 . 1 23 23 SER HA H 1 4.429 0 . 1 . . . . . 23 SER HA . 52892 1 114 . 1 . 1 23 23 SER C C 13 176.527 0 . 1 . . . . . 23 SER C . 52892 1 115 . 1 . 1 23 23 SER CA C 13 60.699 0 . 1 . . . . . 23 SER CA . 52892 1 116 . 1 . 1 23 23 SER CB C 13 61.623 0 . 1 . . . . . 23 SER CB . 52892 1 117 . 1 . 1 23 23 SER N N 15 119.09 0 . 1 . . . . . 23 SER N . 52892 1 118 . 1 . 1 24 24 CYS H H 1 7.786 0 . 1 . . . . . 24 CYS H . 52892 1 119 . 1 . 1 24 24 CYS HA H 1 4.552 0 . 1 . . . . . 24 CYS HA . 52892 1 120 . 1 . 1 24 24 CYS C C 13 176.977 0 . 1 . . . . . 24 CYS C . 52892 1 121 . 1 . 1 24 24 CYS CA C 13 55.463 0 . 1 . . . . . 24 CYS CA . 52892 1 122 . 1 . 1 24 24 CYS CB C 13 35.803 0 . 1 . . . . . 24 CYS CB . 52892 1 123 . 1 . 1 24 24 CYS N N 15 117.603 0 . 1 . . . . . 24 CYS N . 52892 1 124 . 1 . 1 25 25 ASP H H 1 7.365 0 . 1 . . . . . 25 ASP H . 52892 1 125 . 1 . 1 25 25 ASP HA H 1 4.499 0 . 1 . . . . . 25 ASP HA . 52892 1 126 . 1 . 1 25 25 ASP C C 13 176.809 0 . 1 . . . . . 25 ASP C . 52892 1 127 . 1 . 1 25 25 ASP CA C 13 56.661 0 . 1 . . . . . 25 ASP CA . 52892 1 128 . 1 . 1 25 25 ASP CB C 13 40.159 0 . 1 . . . . . 25 ASP CB . 52892 1 129 . 1 . 1 25 25 ASP N N 15 117.235 0 . 1 . . . . . 25 ASP N . 52892 1 130 . 1 . 1 26 26 LEU H H 1 7.69 0 . 1 . . . . . 26 LEU H . 52892 1 131 . 1 . 1 26 26 LEU HA H 1 4.436 0 . 1 . . . . . 26 LEU HA . 52892 1 132 . 1 . 1 26 26 LEU C C 13 177.651 0 . 1 . . . . . 26 LEU C . 52892 1 133 . 1 . 1 26 26 LEU CA C 13 54.855 0 . 1 . . . . . 26 LEU CA . 52892 1 134 . 1 . 1 26 26 LEU CB C 13 41.896 0 . 1 . . . . . 26 LEU CB . 52892 1 135 . 1 . 1 26 26 LEU N N 15 119.308 0 . 1 . . . . . 26 LEU N . 52892 1 136 . 1 . 1 27 27 LEU H H 1 7.247 0 . 1 . . . . . 27 LEU H . 52892 1 137 . 1 . 1 27 27 LEU C C 13 179.93 0 . 1 . . . . . 27 LEU C . 52892 1 138 . 1 . 1 27 27 LEU CA C 13 58.619 0 . 1 . . . . . 27 LEU CA . 52892 1 139 . 1 . 1 27 27 LEU CB C 13 41.269 0 . 1 . . . . . 27 LEU CB . 52892 1 140 . 1 . 1 27 27 LEU N N 15 118.052 0 . 1 . . . . . 27 LEU N . 52892 1 141 . 1 . 1 28 28 GLY H H 1 8.988 0 . 1 . . . . . 28 GLY H . 52892 1 142 . 1 . 1 28 28 GLY HA2 H 1 4.002 0 . 2 . . . . . 28 GLY HA2 . 52892 1 143 . 1 . 1 28 28 GLY HA3 H 1 3.776 0 . 2 . . . . . 28 GLY HA3 . 52892 1 144 . 1 . 1 28 28 GLY C C 13 176.88 0 . 1 . . . . . 28 GLY C . 52892 1 145 . 1 . 1 28 28 GLY CA C 13 46.937 0 . 1 . . . . . 28 GLY CA . 52892 1 146 . 1 . 1 28 28 GLY N N 15 106.955 0 . 1 . . . . . 28 GLY N . 52892 1 147 . 1 . 1 29 29 GLN H H 1 7.897 0 . 1 . . . . . 29 GLN H . 52892 1 148 . 1 . 1 29 29 GLN HA H 1 4.116 0 . 1 . . . . . 29 GLN HA . 52892 1 149 . 1 . 1 29 29 GLN C C 13 175.445 0 . 1 . . . . . 29 GLN C . 52892 1 150 . 1 . 1 29 29 GLN CA C 13 58.307 0 . 1 . . . . . 29 GLN CA . 52892 1 151 . 1 . 1 29 29 GLN CB C 13 28.108 0 . 1 . . . . . 29 GLN CB . 52892 1 152 . 1 . 1 29 29 GLN N N 15 120.847 0 . 1 . . . . . 29 GLN N . 52892 1 153 . 1 . 1 30 30 PHE H H 1 6.879 0 . 1 . . . . . 30 PHE H . 52892 1 154 . 1 . 1 30 30 PHE HA H 1 4.912 0 . 1 . . . . . 30 PHE HA . 52892 1 155 . 1 . 1 30 30 PHE C C 13 174.489 0 . 1 . . . . . 30 PHE C . 52892 1 156 . 1 . 1 30 30 PHE CA C 13 54.93 0 . 1 . . . . . 30 PHE CA . 52892 1 157 . 1 . 1 30 30 PHE CB C 13 40.193 0 . 1 . . . . . 30 PHE CB . 52892 1 158 . 1 . 1 30 30 PHE N N 15 114.315 0 . 1 . . . . . 30 PHE N . 52892 1 159 . 1 . 1 31 31 ASN H H 1 7.745 0 . 1 . . . . . 31 ASN H . 52892 1 160 . 1 . 1 31 31 ASN HA H 1 4.497 0 . 1 . . . . . 31 ASN HA . 52892 1 161 . 1 . 1 31 31 ASN C C 13 175.213 0 . 1 . . . . . 31 ASN C . 52892 1 162 . 1 . 1 31 31 ASN CA C 13 54.658 0 . 1 . . . . . 31 ASN CA . 52892 1 163 . 1 . 1 31 31 ASN CB C 13 37.165 0 . 1 . . . . . 31 ASN CB . 52892 1 164 . 1 . 1 31 31 ASN N N 15 113.646 0 . 1 . . . . . 31 ASN N . 52892 1 165 . 1 . 1 32 32 LEU H H 1 7.555 0 . 1 . . . . . 32 LEU H . 52892 1 166 . 1 . 1 32 32 LEU HA H 1 4.941 0 . 1 . . . . . 32 LEU HA . 52892 1 167 . 1 . 1 32 32 LEU C C 13 178.054 0 . 1 . . . . . 32 LEU C . 52892 1 168 . 1 . 1 32 32 LEU CA C 13 53.303 0 . 1 . . . . . 32 LEU CA . 52892 1 169 . 1 . 1 32 32 LEU CB C 13 43.294 0 . 1 . . . . . 32 LEU CB . 52892 1 170 . 1 . 1 32 32 LEU N N 15 116.825 0 . 1 . . . . . 32 LEU N . 52892 1 171 . 1 . 1 33 33 LEU H H 1 8.163 0 . 1 . . . . . 33 LEU H . 52892 1 172 . 1 . 1 33 33 LEU C C 13 179.827 0 . 1 . . . . . 33 LEU C . 52892 1 173 . 1 . 1 33 33 LEU CA C 13 58.398 0 . 1 . . . . . 33 LEU CA . 52892 1 174 . 1 . 1 33 33 LEU CB C 13 41.386 0 . 1 . . . . . 33 LEU CB . 52892 1 175 . 1 . 1 33 33 LEU N N 15 120.185 0 . 1 . . . . . 33 LEU N . 52892 1 176 . 1 . 1 34 34 GLN H H 1 9.406 0 . 1 . . . . . 34 GLN H . 52892 1 177 . 1 . 1 34 34 GLN HA H 1 4.252 0 . 1 . . . . . 34 GLN HA . 52892 1 178 . 1 . 1 34 34 GLN C C 13 176.972 0 . 1 . . . . . 34 GLN C . 52892 1 179 . 1 . 1 34 34 GLN CA C 13 58.085 0 . 1 . . . . . 34 GLN CA . 52892 1 180 . 1 . 1 34 34 GLN CB C 13 26.916 0 . 1 . . . . . 34 GLN CB . 52892 1 181 . 1 . 1 34 34 GLN N N 15 119.505 0 . 1 . . . . . 34 GLN N . 52892 1 182 . 1 . 1 35 35 LEU H H 1 8.002 0 . 1 . . . . . 35 LEU H . 52892 1 183 . 1 . 1 35 35 LEU HA H 1 4.703 0 . 1 . . . . . 35 LEU HA . 52892 1 184 . 1 . 1 35 35 LEU C C 13 177.195 0 . 1 . . . . . 35 LEU C . 52892 1 185 . 1 . 1 35 35 LEU CA C 13 54.997 0 . 1 . . . . . 35 LEU CA . 52892 1 186 . 1 . 1 35 35 LEU CB C 13 40.764 0 . 1 . . . . . 35 LEU CB . 52892 1 187 . 1 . 1 35 35 LEU N N 15 118.908 0 . 1 . . . . . 35 LEU N . 52892 1 188 . 1 . 1 36 36 ASP H H 1 7.854 0 . 1 . . . . . 36 ASP H . 52892 1 189 . 1 . 1 36 36 ASP CA C 13 60.452 0 . 1 . . . . . 36 ASP CA . 52892 1 190 . 1 . 1 36 36 ASP N N 15 120.578 0 . 1 . . . . . 36 ASP N . 52892 1 191 . 1 . 1 37 37 PRO C C 13 180.142 0 . 1 . . . . . 37 PRO C . 52892 1 192 . 1 . 1 37 37 PRO CA C 13 66.742 0 . 1 . . . . . 37 PRO CA . 52892 1 193 . 1 . 1 37 37 PRO CB C 13 30.636 0 . 1 . . . . . 37 PRO CB . 52892 1 194 . 1 . 1 38 38 ASP H H 1 7.712 0 . 1 . . . . . 38 ASP H . 52892 1 195 . 1 . 1 38 38 ASP HA H 1 4.497 0 . 1 . . . . . 38 ASP HA . 52892 1 196 . 1 . 1 38 38 ASP C C 13 177.233 0 . 1 . . . . . 38 ASP C . 52892 1 197 . 1 . 1 38 38 ASP CA C 13 57.008 0 . 1 . . . . . 38 ASP CA . 52892 1 198 . 1 . 1 38 38 ASP CB C 13 41.321 0 . 1 . . . . . 38 ASP CB . 52892 1 199 . 1 . 1 38 38 ASP N N 15 117.453 0 . 1 . . . . . 38 ASP N . 52892 1 200 . 1 . 1 39 39 CYS H H 1 8.74 0 . 1 . . . . . 39 CYS H . 52892 1 201 . 1 . 1 39 39 CYS HA H 1 3.139 0 . 1 . . . . . 39 CYS HA . 52892 1 202 . 1 . 1 39 39 CYS C C 13 176.877 0 . 1 . . . . . 39 CYS C . 52892 1 203 . 1 . 1 39 39 CYS CA C 13 61.198 0 . 1 . . . . . 39 CYS CA . 52892 1 204 . 1 . 1 39 39 CYS CB C 13 39.551 0 . 1 . . . . . 39 CYS CB . 52892 1 205 . 1 . 1 39 39 CYS N N 15 120.796 0 . 1 . . . . . 39 CYS N . 52892 1 206 . 1 . 1 40 40 ARG H H 1 8.39 0 . 1 . . . . . 40 ARG H . 52892 1 207 . 1 . 1 40 40 ARG HA H 1 4.263 0 . 1 . . . . . 40 ARG HA . 52892 1 208 . 1 . 1 40 40 ARG C C 13 178.618 0 . 1 . . . . . 40 ARG C . 52892 1 209 . 1 . 1 40 40 ARG CA C 13 57.423 0 . 1 . . . . . 40 ARG CA . 52892 1 210 . 1 . 1 40 40 ARG CB C 13 28.409 0 . 1 . . . . . 40 ARG CB . 52892 1 211 . 1 . 1 40 40 ARG N N 15 116.12 0 . 1 . . . . . 40 ARG N . 52892 1 212 . 1 . 1 41 41 GLY H H 1 7.443 0 . 1 . . . . . 41 GLY H . 52892 1 213 . 1 . 1 41 41 GLY HA2 H 1 2.799 0 . 2 . . . . . 41 GLY HA2 . 52892 1 214 . 1 . 1 41 41 GLY HA3 H 1 3.854 0 . 2 . . . . . 41 GLY HA3 . 52892 1 215 . 1 . 1 41 41 GLY C C 13 174.754 0 . 1 . . . . . 41 GLY C . 52892 1 216 . 1 . 1 41 41 GLY CA C 13 45.151 0 . 1 . . . . . 41 GLY CA . 52892 1 217 . 1 . 1 41 41 GLY N N 15 105.542 0 . 1 . . . . . 41 GLY N . 52892 1 218 . 1 . 1 42 42 CYS H H 1 7.231 0 . 1 . . . . . 42 CYS H . 52892 1 219 . 1 . 1 42 42 CYS HA H 1 4.813 0 . 1 . . . . . 42 CYS HA . 52892 1 220 . 1 . 1 42 42 CYS C C 13 174.278 0 . 1 . . . . . 42 CYS C . 52892 1 221 . 1 . 1 42 42 CYS CA C 13 56.106 0 . 1 . . . . . 42 CYS CA . 52892 1 222 . 1 . 1 42 42 CYS CB C 13 42.898 0 . 1 . . . . . 42 CYS CB . 52892 1 223 . 1 . 1 42 42 CYS N N 15 115.932 0 . 1 . . . . . 42 CYS N . 52892 1 224 . 1 . 1 43 43 CYS H H 1 7.496 0 . 1 . . . . . 43 CYS H . 52892 1 225 . 1 . 1 43 43 CYS HA H 1 4.411 0 . 1 . . . . . 43 CYS HA . 52892 1 226 . 1 . 1 43 43 CYS C C 13 172.308 0 . 1 . . . . . 43 CYS C . 52892 1 227 . 1 . 1 43 43 CYS CA C 13 55.087 0 . 1 . . . . . 43 CYS CA . 52892 1 228 . 1 . 1 43 43 CYS CB C 13 43.092 0 . 1 . . . . . 43 CYS CB . 52892 1 229 . 1 . 1 43 43 CYS N N 15 118.029 0 . 1 . . . . . 43 CYS N . 52892 1 230 . 1 . 1 44 44 GLN H H 1 8.795 0 . 1 . . . . . 44 GLN H . 52892 1 231 . 1 . 1 44 44 GLN HA H 1 4.635 0 . 1 . . . . . 44 GLN HA . 52892 1 232 . 1 . 1 44 44 GLN C C 13 175.486 0 . 1 . . . . . 44 GLN C . 52892 1 233 . 1 . 1 44 44 GLN CA C 13 54.238 0 . 1 . . . . . 44 GLN CA . 52892 1 234 . 1 . 1 44 44 GLN CB C 13 31.463 0 . 1 . . . . . 44 GLN CB . 52892 1 235 . 1 . 1 44 44 GLN CG C 13 33.685 0 . 1 . . . . . 44 GLN CG . 52892 1 236 . 1 . 1 44 44 GLN N N 15 119.988 0 . 1 . . . . . 44 GLN N . 52892 1 237 . 1 . 1 45 45 GLU H H 1 8.732 0 . 1 . . . . . 45 GLU H . 52892 1 238 . 1 . 1 45 45 GLU HA H 1 4.264 0 . 1 . . . . . 45 GLU HA . 52892 1 239 . 1 . 1 45 45 GLU C C 13 176.737 0 . 1 . . . . . 45 GLU C . 52892 1 240 . 1 . 1 45 45 GLU CA C 13 56.808 0 . 1 . . . . . 45 GLU CA . 52892 1 241 . 1 . 1 45 45 GLU CB C 13 30.293 0 . 1 . . . . . 45 GLU CB . 52892 1 242 . 1 . 1 45 45 GLU N N 15 124.769 0 . 1 . . . . . 45 GLU N . 52892 1 243 . 1 . 1 46 46 GLU H H 1 8.507 0 . 1 . . . . . 46 GLU H . 52892 1 244 . 1 . 1 46 46 GLU HA H 1 4.242 0 . 1 . . . . . 46 GLU HA . 52892 1 245 . 1 . 1 46 46 GLU C C 13 175.924 0 . 1 . . . . . 46 GLU C . 52892 1 246 . 1 . 1 46 46 GLU CA C 13 56.551 0 . 1 . . . . . 46 GLU CA . 52892 1 247 . 1 . 1 46 46 GLU CB C 13 31.202 0 . 1 . . . . . 46 GLU CB . 52892 1 248 . 1 . 1 46 46 GLU N N 15 121.164 0 . 1 . . . . . 46 GLU N . 52892 1 249 . 1 . 1 47 47 ALA H H 1 8.446 0 . 1 . . . . . 47 ALA H . 52892 1 250 . 1 . 1 47 47 ALA HA H 1 4.237 0 . 1 . . . . . 47 ALA HA . 52892 1 251 . 1 . 1 47 47 ALA HB1 H 1 1.308 0 . 1 . . . . . 47 ALA HB . 52892 1 252 . 1 . 1 47 47 ALA HB2 H 1 1.308 0 . 1 . . . . . 47 ALA HB . 52892 1 253 . 1 . 1 47 47 ALA HB3 H 1 1.308 0 . 1 . . . . . 47 ALA HB . 52892 1 254 . 1 . 1 47 47 ALA C C 13 177.434 0 . 1 . . . . . 47 ALA C . 52892 1 255 . 1 . 1 47 47 ALA CA C 13 52.513 0 . 1 . . . . . 47 ALA CA . 52892 1 256 . 1 . 1 47 47 ALA CB C 13 19.177 0 . 1 . . . . . 47 ALA CB . 52892 1 257 . 1 . 1 47 47 ALA N N 15 124.993 0 . 1 . . . . . 47 ALA N . 52892 1 258 . 1 . 1 48 48 GLN H H 1 8.213 0 . 1 . . . . . 48 GLN H . 52892 1 259 . 1 . 1 48 48 GLN HA H 1 4.258 0 . 1 . . . . . 48 GLN HA . 52892 1 260 . 1 . 1 48 48 GLN C C 13 175.602 0 . 1 . . . . . 48 GLN C . 52892 1 261 . 1 . 1 48 48 GLN CA C 13 55.643 0 . 1 . . . . . 48 GLN CA . 52892 1 262 . 1 . 1 48 48 GLN CB C 13 29.569 0 . 1 . . . . . 48 GLN CB . 52892 1 263 . 1 . 1 48 48 GLN N N 15 119.293 0 . 1 . . . . . 48 GLN N . 52892 1 264 . 1 . 1 49 49 PHE H H 1 8.154 0 . 1 . . . . . 49 PHE H . 52892 1 265 . 1 . 1 49 49 PHE C C 13 175.478 0 . 1 . . . . . 49 PHE C . 52892 1 266 . 1 . 1 49 49 PHE CA C 13 57.502 0 . 1 . . . . . 49 PHE CA . 52892 1 267 . 1 . 1 49 49 PHE CB C 13 39.675 0 . 1 . . . . . 49 PHE CB . 52892 1 268 . 1 . 1 49 49 PHE N N 15 120.951 0 . 1 . . . . . 49 PHE N . 52892 1 269 . 1 . 1 50 50 GLU H H 1 8.325 0 . 1 . . . . . 50 GLU H . 52892 1 270 . 1 . 1 50 50 GLU HA H 1 4.357 0 . 1 . . . . . 50 GLU HA . 52892 1 271 . 1 . 1 50 50 GLU C C 13 176.2 0 . 1 . . . . . 50 GLU C . 52892 1 272 . 1 . 1 50 50 GLU CA C 13 56.359 0 . 1 . . . . . 50 GLU CA . 52892 1 273 . 1 . 1 50 50 GLU CB C 13 30.736 0 . 1 . . . . . 50 GLU CB . 52892 1 274 . 1 . 1 50 50 GLU N N 15 122.443 0 . 1 . . . . . 50 GLU N . 52892 1 275 . 1 . 1 51 51 THR H H 1 8.251 0 . 1 . . . . . 51 THR H . 52892 1 276 . 1 . 1 51 51 THR HA H 1 4.313 0 . 1 . . . . . 51 THR HA . 52892 1 277 . 1 . 1 51 51 THR C C 13 173.599 0 . 1 . . . . . 51 THR C . 52892 1 278 . 1 . 1 51 51 THR CA C 13 61.907 0 . 1 . . . . . 51 THR CA . 52892 1 279 . 1 . 1 51 51 THR CB C 13 69.8 0 . 1 . . . . . 51 THR CB . 52892 1 280 . 1 . 1 51 51 THR N N 15 116.749 0 . 1 . . . . . 51 THR N . 52892 1 281 . 1 . 1 52 52 LYS H H 1 8.01 0 . 1 . . . . . 52 LYS H . 52892 1 282 . 1 . 1 52 52 LYS HA H 1 4.189 0 . 1 . . . . . 52 LYS HA . 52892 1 283 . 1 . 1 52 52 LYS C C 13 181.218 0 . 1 . . . . . 52 LYS C . 52892 1 284 . 1 . 1 52 52 LYS CA C 13 57.691 0 . 1 . . . . . 52 LYS CA . 52892 1 285 . 1 . 1 52 52 LYS N N 15 129.473 0 . 1 . . . . . 52 LYS N . 52892 1 stop_ save_