################################### # 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 51343 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name TrkA-eJTM-TMD _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 2 '3D HNCA' . . . 51343 1 3 '3D HNCO' . . . 51343 1 4 '3D HNCACB' . . . 51343 1 5 '3D HNCACO' . . . 51343 1 6 '3D HNCOCA' . . . 51343 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 . . 51343 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 3 3 ASP H H 1 8.466 0.000 . 1 . . . . . 3 ASP H . 51343 1 2 . 1 . 1 3 3 ASP C C 13 175.476 0.000 . 1 . . . . . 3 ASP C . 51343 1 3 . 1 . 1 3 3 ASP CA C 13 54.467 0.000 . 1 . . . . . 3 ASP CA . 51343 1 4 . 1 . 1 3 3 ASP CB C 13 40.908 0.000 . 1 . . . . . 3 ASP CB . 51343 1 5 . 1 . 1 3 3 ASP N N 15 121.397 0.000 . 1 . . . . . 3 ASP N . 51343 1 6 . 1 . 1 4 4 ASN H H 1 8.126 0.000 . 1 . . . . . 4 ASN H . 51343 1 7 . 1 . 1 4 4 ASN C C 13 173.732 0.000 . 1 . . . . . 4 ASN C . 51343 1 8 . 1 . 1 4 4 ASN CA C 13 50.981 0.000 . 1 . . . . . 4 ASN CA . 51343 1 9 . 1 . 1 4 4 ASN CB C 13 39.042 0.000 . 1 . . . . . 4 ASN CB . 51343 1 10 . 1 . 1 4 4 ASN N N 15 118.618 0.000 . 1 . . . . . 4 ASN N . 51343 1 11 . 1 . 1 5 5 PRO C C 13 176.582 0.000 . 1 . . . . . 5 PRO C . 51343 1 12 . 1 . 1 5 5 PRO CA C 13 63.611 0.000 . 1 . . . . . 5 PRO CA . 51343 1 13 . 1 . 1 5 5 PRO CB C 13 31.772 0.000 . 1 . . . . . 5 PRO CB . 51343 1 14 . 1 . 1 6 6 PHE H H 1 7.906 0.000 . 1 . . . . . 6 PHE H . 51343 1 15 . 1 . 1 6 6 PHE C C 13 175.385 0.000 . 1 . . . . . 6 PHE C . 51343 1 16 . 1 . 1 6 6 PHE CA C 13 57.428 0.000 . 1 . . . . . 6 PHE CA . 51343 1 17 . 1 . 1 6 6 PHE CB C 13 38.943 0.000 . 1 . . . . . 6 PHE CB . 51343 1 18 . 1 . 1 6 6 PHE N N 15 117.806 0.000 . 1 . . . . . 6 PHE N . 51343 1 19 . 1 . 1 7 7 GLU H H 1 7.729 0.000 . 1 . . . . . 7 GLU H . 51343 1 20 . 1 . 1 7 7 GLU C C 13 175.403 0.000 . 1 . . . . . 7 GLU C . 51343 1 21 . 1 . 1 7 7 GLU CA C 13 56.309 0.000 . 1 . . . . . 7 GLU CA . 51343 1 22 . 1 . 1 7 7 GLU CB C 13 30.593 0.000 . 1 . . . . . 7 GLU CB . 51343 1 23 . 1 . 1 7 7 GLU N N 15 121.219 0.000 . 1 . . . . . 7 GLU N . 51343 1 24 . 1 . 1 8 8 PHE H H 1 8.075 0.000 . 1 . . . . . 8 PHE H . 51343 1 25 . 1 . 1 8 8 PHE C C 13 174.518 0.000 . 1 . . . . . 8 PHE C . 51343 1 26 . 1 . 1 8 8 PHE CA C 13 57.406 0.000 . 1 . . . . . 8 PHE CA . 51343 1 27 . 1 . 1 8 8 PHE CB C 13 39.827 0.000 . 1 . . . . . 8 PHE CB . 51343 1 28 . 1 . 1 8 8 PHE N N 15 121.526 0.000 . 1 . . . . . 8 PHE N . 51343 1 29 . 1 . 1 9 9 ASN H H 1 8.412 0.000 . 1 . . . . . 9 ASN H . 51343 1 30 . 1 . 1 9 9 ASN C C 13 173.315 0.000 . 1 . . . . . 9 ASN C . 51343 1 31 . 1 . 1 9 9 ASN CA C 13 50.586 0.000 . 1 . . . . . 9 ASN CA . 51343 1 32 . 1 . 1 9 9 ASN CB C 13 39.434 0.000 . 1 . . . . . 9 ASN CB . 51343 1 33 . 1 . 1 9 9 ASN N N 15 122.991 0.000 . 1 . . . . . 9 ASN N . 51343 1 34 . 1 . 1 10 10 PRO C C 13 176.803 0.000 . 1 . . . . . 10 PRO C . 51343 1 35 . 1 . 1 10 10 PRO CA C 13 63.611 0.000 . 1 . . . . . 10 PRO CA . 51343 1 36 . 1 . 1 10 10 PRO CB C 13 31.968 0.000 . 1 . . . . . 10 PRO CB . 51343 1 37 . 1 . 1 11 11 GLU H H 1 8.153 0.000 . 1 . . . . . 11 GLU H . 51343 1 38 . 1 . 1 11 11 GLU C C 13 176.115 0.000 . 1 . . . . . 11 GLU C . 51343 1 39 . 1 . 1 11 11 GLU CA C 13 56.463 0.000 . 1 . . . . . 11 GLU CA . 51343 1 40 . 1 . 1 11 11 GLU CB C 13 30.102 0.000 . 1 . . . . . 11 GLU CB . 51343 1 41 . 1 . 1 11 11 GLU N N 15 118.527 0.000 . 1 . . . . . 11 GLU N . 51343 1 42 . 1 . 1 12 12 ASP H H 1 7.889 0.000 . 1 . . . . . 12 ASP H . 51343 1 43 . 1 . 1 12 12 ASP C C 13 174.125 0.000 . 1 . . . . . 12 ASP C . 51343 1 44 . 1 . 1 12 12 ASP CA C 13 52.625 0.000 . 1 . . . . . 12 ASP CA . 51343 1 45 . 1 . 1 12 12 ASP CB C 13 40.810 0.000 . 1 . . . . . 12 ASP CB . 51343 1 46 . 1 . 1 12 12 ASP N N 15 121.975 0.000 . 1 . . . . . 12 ASP N . 51343 1 47 . 1 . 1 13 13 PRO C C 13 176.754 0.000 . 1 . . . . . 13 PRO C . 51343 1 48 . 1 . 1 13 13 PRO CA C 13 63.063 0.000 . 1 . . . . . 13 PRO CA . 51343 1 49 . 1 . 1 13 13 PRO CB C 13 31.968 0.000 . 1 . . . . . 13 PRO CB . 51343 1 50 . 1 . 1 14 14 ILE H H 1 8.086 0.000 . 1 . . . . . 14 ILE H . 51343 1 51 . 1 . 1 14 14 ILE C C 13 174.666 0.000 . 1 . . . . . 14 ILE C . 51343 1 52 . 1 . 1 14 14 ILE CA C 13 58.765 0.000 . 1 . . . . . 14 ILE CA . 51343 1 53 . 1 . 1 14 14 ILE CB C 13 38.452 0.000 . 1 . . . . . 14 ILE CB . 51343 1 54 . 1 . 1 14 14 ILE N N 15 122.253 0.000 . 1 . . . . . 14 ILE N . 51343 1 55 . 1 . 1 15 15 PRO C C 13 176.803 0.000 . 1 . . . . . 15 PRO C . 51343 1 56 . 1 . 1 15 15 PRO CA C 13 63.129 0.000 . 1 . . . . . 15 PRO CA . 51343 1 57 . 1 . 1 15 15 PRO CB C 13 32.062 0.000 . 1 . . . . . 15 PRO CB . 51343 1 58 . 1 . 1 16 16 VAL H H 1 8.037 0.000 . 1 . . . . . 16 VAL H . 51343 1 59 . 1 . 1 16 16 VAL C C 13 175.992 0.000 . 1 . . . . . 16 VAL C . 51343 1 60 . 1 . 1 16 16 VAL CA C 13 62.274 0.000 . 1 . . . . . 16 VAL CA . 51343 1 61 . 1 . 1 16 16 VAL CB C 13 32.852 0.000 . 1 . . . . . 16 VAL CB . 51343 1 62 . 1 . 1 16 16 VAL N N 15 119.732 0.000 . 1 . . . . . 16 VAL N . 51343 1 63 . 1 . 1 17 17 SER H H 1 8.096 0.000 . 1 . . . . . 17 SER H . 51343 1 64 . 1 . 1 17 17 SER C C 13 173.877 0.000 . 1 . . . . . 17 SER C . 51343 1 65 . 1 . 1 17 17 SER CA C 13 57.910 0.000 . 1 . . . . . 17 SER CA . 51343 1 66 . 1 . 1 17 17 SER CB C 13 63.896 0.000 . 1 . . . . . 17 SER CB . 51343 1 67 . 1 . 1 17 17 SER N N 15 118.243 0.000 . 1 . . . . . 17 SER N . 51343 1 68 . 1 . 1 18 18 PHE H H 1 8.188 0.000 . 1 . . . . . 18 PHE H . 51343 1 69 . 1 . 1 18 18 PHE C C 13 175.083 0.000 . 1 . . . . . 18 PHE C . 51343 1 70 . 1 . 1 18 18 PHE CA C 13 57.598 0.000 . 1 . . . . . 18 PHE CA . 51343 1 71 . 1 . 1 18 18 PHE CB C 13 39.827 0.000 . 1 . . . . . 18 PHE CB . 51343 1 72 . 1 . 1 18 18 PHE N N 15 122.389 0.000 . 1 . . . . . 18 PHE N . 51343 1 73 . 1 . 1 19 19 SER H H 1 8.126 0.000 . 1 . . . . . 19 SER H . 51343 1 74 . 1 . 1 19 19 SER C C 13 172.357 0.000 . 1 . . . . . 19 SER C . 51343 1 75 . 1 . 1 19 19 SER CA C 13 55.915 0.000 . 1 . . . . . 19 SER CA . 51343 1 76 . 1 . 1 19 19 SER CB C 13 63.503 0.000 . 1 . . . . . 19 SER CB . 51343 1 77 . 1 . 1 19 19 SER N N 15 118.998 0.000 . 1 . . . . . 19 SER N . 51343 1 78 . 1 . 1 20 20 PRO C C 13 176.803 0.000 . 1 . . . . . 20 PRO C . 51343 1 79 . 1 . 1 20 20 PRO CA C 13 63.173 0.000 . 1 . . . . . 20 PRO CA . 51343 1 80 . 1 . 1 20 20 PRO CB C 13 32.062 0.000 . 1 . . . . . 20 PRO CB . 51343 1 81 . 1 . 1 21 21 VAL H H 1 8.011 0.000 . 1 . . . . . 21 VAL H . 51343 1 82 . 1 . 1 21 21 VAL C C 13 175.796 0.000 . 1 . . . . . 21 VAL C . 51343 1 83 . 1 . 1 21 21 VAL CA C 13 62.252 0.000 . 1 . . . . . 21 VAL CA . 51343 1 84 . 1 . 1 21 21 VAL CB C 13 32.852 0.000 . 1 . . . . . 21 VAL CB . 51343 1 85 . 1 . 1 21 21 VAL N N 15 118.973 0.000 . 1 . . . . . 21 VAL N . 51343 1 86 . 1 . 1 22 22 ASP H H 1 8.280 0.000 . 1 . . . . . 22 ASP H . 51343 1 87 . 1 . 1 22 22 ASP C C 13 176.680 0.000 . 1 . . . . . 22 ASP C . 51343 1 88 . 1 . 1 22 22 ASP CA C 13 54.226 0.000 . 1 . . . . . 22 ASP CA . 51343 1 89 . 1 . 1 22 22 ASP CB C 13 41.399 0.000 . 1 . . . . . 22 ASP CB . 51343 1 90 . 1 . 1 22 22 ASP N N 15 123.701 0.000 . 1 . . . . . 22 ASP N . 51343 1 91 . 1 . 1 23 23 THR H H 1 8.106 0.000 . 1 . . . . . 23 THR H . 51343 1 92 . 1 . 1 23 23 THR C C 13 174.690 0.000 . 1 . . . . . 23 THR C . 51343 1 93 . 1 . 1 23 23 THR CA C 13 62.232 0.000 . 1 . . . . . 23 THR CA . 51343 1 94 . 1 . 1 23 23 THR CB C 13 69.496 0.000 . 1 . . . . . 23 THR CB . 51343 1 95 . 1 . 1 23 23 THR N N 15 114.680 0.000 . 1 . . . . . 23 THR N . 51343 1 96 . 1 . 1 24 24 ASN H H 1 8.444 0.000 . 1 . . . . . 24 ASN H . 51343 1 97 . 1 . 1 24 24 ASN C C 13 175.427 0.000 . 1 . . . . . 24 ASN C . 51343 1 98 . 1 . 1 24 24 ASN CA C 13 53.678 0.000 . 1 . . . . . 24 ASN CA . 51343 1 99 . 1 . 1 24 24 ASN CB C 13 38.943 0.000 . 1 . . . . . 24 ASN CB . 51343 1 100 . 1 . 1 24 24 ASN N N 15 120.786 0.000 . 1 . . . . . 24 ASN N . 51343 1 101 . 1 . 1 25 25 SER H H 1 8.189 0.000 . 1 . . . . . 25 SER H . 51343 1 102 . 1 . 1 25 25 SER C C 13 174.932 0.000 . 1 . . . . . 25 SER C . 51343 1 103 . 1 . 1 25 25 SER CA C 13 58.652 0.000 . 1 . . . . . 25 SER CA . 51343 1 104 . 1 . 1 25 25 SER CB C 13 63.798 0.000 . 1 . . . . . 25 SER CB . 51343 1 105 . 1 . 1 25 25 SER N N 15 115.948 0.000 . 1 . . . . . 25 SER N . 51343 1 106 . 1 . 1 26 26 THR H H 1 8.160 0.000 . 1 . . . . . 26 THR H . 51343 1 107 . 1 . 1 26 26 THR C C 13 174.698 0.000 . 1 . . . . . 26 THR C . 51343 1 108 . 1 . 1 26 26 THR CA C 13 61.875 0.000 . 1 . . . . . 26 THR CA . 51343 1 109 . 1 . 1 26 26 THR CB C 13 69.594 0.000 . 1 . . . . . 26 THR CB . 51343 1 110 . 1 . 1 26 26 THR N N 15 115.214 0.000 . 1 . . . . . 26 THR N . 51343 1 111 . 1 . 1 27 27 SER H H 1 8.232 0.000 . 1 . . . . . 27 SER H . 51343 1 112 . 1 . 1 27 27 SER C C 13 174.838 0.000 . 1 . . . . . 27 SER C . 51343 1 113 . 1 . 1 27 27 SER CA C 13 58.568 0.000 . 1 . . . . . 27 SER CA . 51343 1 114 . 1 . 1 27 27 SER CB C 13 63.896 0.000 . 1 . . . . . 27 SER CB . 51343 1 115 . 1 . 1 27 27 SER N N 15 117.714 0.000 . 1 . . . . . 27 SER N . 51343 1 116 . 1 . 1 28 28 GLY H H 1 8.263 0.000 . 1 . . . . . 28 GLY H . 51343 1 117 . 1 . 1 28 28 GLY C C 13 173.520 0.000 . 1 . . . . . 28 GLY C . 51343 1 118 . 1 . 1 28 28 GLY CA C 13 45.020 0.000 . 1 . . . . . 28 GLY CA . 51343 1 119 . 1 . 1 28 28 GLY N N 15 110.726 0.000 . 1 . . . . . 28 GLY N . 51343 1 120 . 1 . 1 29 29 ASP H H 1 8.131 0.000 . 1 . . . . . 29 ASP H . 51343 1 121 . 1 . 1 29 29 ASP C C 13 174.641 0.000 . 1 . . . . . 29 ASP C . 51343 1 122 . 1 . 1 29 29 ASP CA C 13 52.713 0.000 . 1 . . . . . 29 ASP CA . 51343 1 123 . 1 . 1 29 29 ASP CB C 13 40.810 0.000 . 1 . . . . . 29 ASP CB . 51343 1 124 . 1 . 1 29 29 ASP N N 15 122.020 0.000 . 1 . . . . . 29 ASP N . 51343 1 125 . 1 . 1 30 30 PRO C C 13 177.073 0.000 . 1 . . . . . 30 PRO C . 51343 1 126 . 1 . 1 30 30 PRO CA C 13 63.261 0.000 . 1 . . . . . 30 PRO CA . 51343 1 127 . 1 . 1 31 31 VAL H H 1 8.136 0.000 . 1 . . . . . 31 VAL H . 51343 1 128 . 1 . 1 31 31 VAL C C 13 176.213 0.000 . 1 . . . . . 31 VAL C . 51343 1 129 . 1 . 1 31 31 VAL CA C 13 62.647 0.000 . 1 . . . . . 31 VAL CA . 51343 1 130 . 1 . 1 31 31 VAL CB C 13 32.361 0.000 . 1 . . . . . 31 VAL CB . 51343 1 131 . 1 . 1 31 31 VAL N N 15 120.003 0.000 . 1 . . . . . 31 VAL N . 51343 1 132 . 1 . 1 32 32 GLU H H 1 8.299 0.000 . 1 . . . . . 32 GLU H . 51343 1 133 . 1 . 1 32 32 GLU C C 13 176.109 0.000 . 1 . . . . . 32 GLU C . 51343 1 134 . 1 . 1 32 32 GLU CA C 13 56.573 0.000 . 1 . . . . . 32 GLU CA . 51343 1 135 . 1 . 1 32 32 GLU CB C 13 30.396 0.000 . 1 . . . . . 32 GLU CB . 51343 1 136 . 1 . 1 32 32 GLU N N 15 124.093 0.000 . 1 . . . . . 32 GLU N . 51343 1 137 . 1 . 1 33 33 LYS H H 1 8.266 0.000 . 1 . . . . . 33 LYS H . 51343 1 138 . 1 . 1 33 33 LYS C C 13 176.293 0.000 . 1 . . . . . 33 LYS C . 51343 1 139 . 1 . 1 33 33 LYS CA C 13 56.157 0.000 . 1 . . . . . 33 LYS CA . 51343 1 140 . 1 . 1 33 33 LYS CB C 13 32.852 0.000 . 1 . . . . . 33 LYS CB . 51343 1 141 . 1 . 1 33 33 LYS N N 15 123.357 0.000 . 1 . . . . . 33 LYS N . 51343 1 142 . 1 . 1 34 34 LYS H H 1 8.311 0.000 . 1 . . . . . 34 LYS H . 51343 1 143 . 1 . 1 34 34 LYS C C 13 176.105 0.000 . 1 . . . . . 34 LYS C . 51343 1 144 . 1 . 1 34 34 LYS CA C 13 56.246 0.000 . 1 . . . . . 34 LYS CA . 51343 1 145 . 1 . 1 34 34 LYS CB C 13 32.951 0.000 . 1 . . . . . 34 LYS CB . 51343 1 146 . 1 . 1 34 34 LYS N N 15 123.256 0.000 . 1 . . . . . 34 LYS N . 51343 1 147 . 1 . 1 35 35 ASP H H 1 8.350 0.000 . 1 . . . . . 35 ASP H . 51343 1 148 . 1 . 1 35 35 ASP C C 13 176.105 0.000 . 1 . . . . . 35 ASP C . 51343 1 149 . 1 . 1 35 35 ASP CA C 13 54.380 0.000 . 1 . . . . . 35 ASP CA . 51343 1 150 . 1 . 1 35 35 ASP CB C 13 41.399 0.000 . 1 . . . . . 35 ASP CB . 51343 1 151 . 1 . 1 35 35 ASP N N 15 121.614 0.000 . 1 . . . . . 35 ASP N . 51343 1 152 . 1 . 1 36 36 GLU H H 1 8.312 0.000 . 1 . . . . . 36 GLU H . 51343 1 153 . 1 . 1 36 36 GLU C C 13 176.483 0.000 . 1 . . . . . 36 GLU C . 51343 1 154 . 1 . 1 36 36 GLU CA C 13 56.266 0.000 . 1 . . . . . 36 GLU CA . 51343 1 155 . 1 . 1 36 36 GLU CB C 13 30.593 0.000 . 1 . . . . . 36 GLU CB . 51343 1 156 . 1 . 1 36 36 GLU N N 15 121.883 0.000 . 1 . . . . . 36 GLU N . 51343 1 157 . 1 . 1 37 37 THR H H 1 8.392 0.000 . 1 . . . . . 37 THR H . 51343 1 158 . 1 . 1 37 37 THR C C 13 177.097 0.000 . 1 . . . . . 37 THR C . 51343 1 159 . 1 . 1 37 37 THR CA C 13 61.112 0.000 . 1 . . . . . 37 THR CA . 51343 1 160 . 1 . 1 37 37 THR N N 15 118.445 0.000 . 1 . . . . . 37 THR N . 51343 1 161 . 1 . 1 38 38 PRO C C 13 174.174 0.000 . 1 . . . . . 38 PRO C . 51343 1 162 . 1 . 1 38 38 PRO CA C 13 58.568 0.000 . 1 . . . . . 38 PRO CA . 51343 1 163 . 1 . 1 40 40 GLY H H 1 8.524 0.000 . 1 . . . . . 40 GLY H . 51343 1 164 . 1 . 1 40 40 GLY C C 13 175.286 0.000 . 1 . . . . . 40 GLY C . 51343 1 165 . 1 . 1 40 40 GLY N N 15 107.369 0.000 . 1 . . . . . 40 GLY N . 51343 1 166 . 1 . 1 41 41 VAL H H 1 7.869 0.000 . 1 . . . . . 41 VAL H . 51343 1 167 . 1 . 1 41 41 VAL C C 13 176.888 0.000 . 1 . . . . . 41 VAL C . 51343 1 168 . 1 . 1 41 41 VAL N N 15 119.406 0.000 . 1 . . . . . 41 VAL N . 51343 1 169 . 1 . 1 42 42 SER H H 1 8.027 0.000 . 1 . . . . . 42 SER H . 51343 1 170 . 1 . 1 42 42 SER C C 13 176.406 0.000 . 1 . . . . . 42 SER C . 51343 1 171 . 1 . 1 42 42 SER N N 15 116.312 0.000 . 1 . . . . . 42 SER N . 51343 1 172 . 1 . 1 43 43 VAL H H 1 7.975 0.000 . 1 . . . . . 43 VAL H . 51343 1 173 . 1 . 1 43 43 VAL C C 13 176.975 0.000 . 1 . . . . . 43 VAL C . 51343 1 174 . 1 . 1 43 43 VAL CA C 13 66.413 0.000 . 1 . . . . . 43 VAL CA . 51343 1 175 . 1 . 1 43 43 VAL N N 15 121.007 0.000 . 1 . . . . . 43 VAL N . 51343 1 176 . 1 . 1 44 44 ALA H H 1 7.954 0.000 . 1 . . . . . 44 ALA H . 51343 1 177 . 1 . 1 44 44 ALA C C 13 179.112 0.000 . 1 . . . . . 44 ALA C . 51343 1 178 . 1 . 1 44 44 ALA CA C 13 56.002 0.000 . 1 . . . . . 44 ALA CA . 51343 1 179 . 1 . 1 44 44 ALA N N 15 121.648 0.000 . 1 . . . . . 44 ALA N . 51343 1 180 . 1 . 1 45 45 VAL H H 1 8.421 0.000 . 1 . . . . . 45 VAL H . 51343 1 181 . 1 . 1 45 45 VAL C C 13 178.080 0.000 . 1 . . . . . 45 VAL C . 51343 1 182 . 1 . 1 45 45 VAL CA C 13 66.983 0.000 . 1 . . . . . 45 VAL CA . 51343 1 183 . 1 . 1 45 45 VAL N N 15 116.017 0.000 . 1 . . . . . 45 VAL N . 51343 1 184 . 1 . 1 46 46 GLY H H 1 8.452 0.000 . 1 . . . . . 46 GLY H . 51343 1 185 . 1 . 1 46 46 GLY C C 13 175.280 0.000 . 1 . . . . . 46 GLY C . 51343 1 186 . 1 . 1 46 46 GLY CA C 13 48.085 0.000 . 1 . . . . . 46 GLY CA . 51343 1 187 . 1 . 1 46 46 GLY N N 15 107.026 0.000 . 1 . . . . . 46 GLY N . 51343 1 188 . 1 . 1 47 47 LEU H H 1 8.735 0.000 . 1 . . . . . 47 LEU H . 51343 1 189 . 1 . 1 47 47 LEU C C 13 178.424 0.000 . 1 . . . . . 47 LEU C . 51343 1 190 . 1 . 1 47 47 LEU CA C 13 58.302 0.000 . 1 . . . . . 47 LEU CA . 51343 1 191 . 1 . 1 47 47 LEU N N 15 120.810 0.000 . 1 . . . . . 47 LEU N . 51343 1 192 . 1 . 1 48 48 ALA H H 1 8.238 0.000 . 1 . . . . . 48 ALA H . 51343 1 193 . 1 . 1 48 48 ALA C C 13 179.780 0.000 . 1 . . . . . 48 ALA C . 51343 1 194 . 1 . 1 48 48 ALA CA C 13 55.826 0.000 . 1 . . . . . 48 ALA CA . 51343 1 195 . 1 . 1 48 48 ALA N N 15 121.586 0.000 . 1 . . . . . 48 ALA N . 51343 1 196 . 1 . 1 49 49 VAL H H 1 8.714 0.000 . 1 . . . . . 49 VAL H . 51343 1 197 . 1 . 1 49 49 VAL C C 13 178.054 0.000 . 1 . . . . . 49 VAL C . 51343 1 198 . 1 . 1 49 49 VAL CA C 13 67.528 0.000 . 1 . . . . . 49 VAL CA . 51343 1 199 . 1 . 1 49 49 VAL N N 15 118.229 0.000 . 1 . . . . . 49 VAL N . 51343 1 200 . 1 . 1 50 50 PHE H H 1 8.617 0.000 . 1 . . . . . 50 PHE H . 51343 1 201 . 1 . 1 50 50 PHE C C 13 177.183 0.000 . 1 . . . . . 50 PHE C . 51343 1 202 . 1 . 1 50 50 PHE CA C 13 62.274 0.000 . 1 . . . . . 50 PHE CA . 51343 1 203 . 1 . 1 50 50 PHE N N 15 119.169 0.000 . 1 . . . . . 50 PHE N . 51343 1 204 . 1 . 1 51 51 ALA H H 1 8.994 0.000 . 1 . . . . . 51 ALA H . 51343 1 205 . 1 . 1 51 51 ALA C C 13 179.329 0.000 . 1 . . . . . 51 ALA C . 51343 1 206 . 1 . 1 51 51 ALA CA C 13 56.062 0.000 . 1 . . . . . 51 ALA CA . 51343 1 207 . 1 . 1 51 51 ALA N N 15 120.855 0.000 . 1 . . . . . 51 ALA N . 51343 1 208 . 1 . 1 52 52 CYS H H 1 8.209 0.000 . 1 . . . . . 52 CYS H . 51343 1 209 . 1 . 1 52 52 CYS C C 13 177.736 0.000 . 1 . . . . . 52 CYS C . 51343 1 210 . 1 . 1 52 52 CYS CA C 13 64.550 0.000 . 1 . . . . . 52 CYS CA . 51343 1 211 . 1 . 1 52 52 CYS N N 15 115.168 0.000 . 1 . . . . . 52 CYS N . 51343 1 212 . 1 . 1 53 53 LEU H H 1 8.507 0.000 . 1 . . . . . 53 LEU H . 51343 1 213 . 1 . 1 53 53 LEU C C 13 178.940 0.000 . 1 . . . . . 53 LEU C . 51343 1 214 . 1 . 1 53 53 LEU CA C 13 58.341 0.000 . 1 . . . . . 53 LEU CA . 51343 1 215 . 1 . 1 53 53 LEU N N 15 121.887 0.000 . 1 . . . . . 53 LEU N . 51343 1 216 . 1 . 1 54 54 PHE H H 1 8.902 0.000 . 1 . . . . . 54 PHE H . 51343 1 217 . 1 . 1 54 54 PHE C C 13 176.673 0.000 . 1 . . . . . 54 PHE C . 51343 1 218 . 1 . 1 54 54 PHE CA C 13 61.353 0.000 . 1 . . . . . 54 PHE CA . 51343 1 219 . 1 . 1 54 54 PHE N N 15 121.666 0.000 . 1 . . . . . 54 PHE N . 51343 1 220 . 1 . 1 55 55 LEU H H 1 8.552 0.000 . 1 . . . . . 55 LEU H . 51343 1 221 . 1 . 1 55 55 LEU C C 13 178.301 0.000 . 1 . . . . . 55 LEU C . 51343 1 222 . 1 . 1 55 55 LEU CA C 13 58.173 0.000 . 1 . . . . . 55 LEU CA . 51343 1 223 . 1 . 1 55 55 LEU N N 15 118.114 0.000 . 1 . . . . . 55 LEU N . 51343 1 224 . 1 . 1 56 56 SER H H 1 8.109 0.000 . 1 . . . . . 56 SER H . 51343 1 225 . 1 . 1 56 56 SER C C 13 175.519 0.000 . 1 . . . . . 56 SER C . 51343 1 226 . 1 . 1 56 56 SER N N 15 113.048 0.000 . 1 . . . . . 56 SER N . 51343 1 227 . 1 . 1 57 57 THR H H 1 7.645 0.000 . 1 . . . . . 57 THR H . 51343 1 228 . 1 . 1 57 57 THR C C 13 175.830 0.000 . 1 . . . . . 57 THR C . 51343 1 229 . 1 . 1 57 57 THR N N 15 116.895 0.000 . 1 . . . . . 57 THR N . 51343 1 230 . 1 . 1 58 58 LEU H H 1 7.909 0.000 . 1 . . . . . 58 LEU H . 51343 1 231 . 1 . 1 58 58 LEU C C 13 178.095 0.000 . 1 . . . . . 58 LEU C . 51343 1 232 . 1 . 1 58 58 LEU CA C 13 58.173 0.000 . 1 . . . . . 58 LEU CA . 51343 1 233 . 1 . 1 58 58 LEU N N 15 120.815 0.000 . 1 . . . . . 58 LEU N . 51343 1 234 . 1 . 1 59 59 LEU H H 1 7.994 0.000 . 1 . . . . . 59 LEU H . 51343 1 235 . 1 . 1 59 59 LEU C C 13 178.647 0.000 . 1 . . . . . 59 LEU C . 51343 1 236 . 1 . 1 59 59 LEU CA C 13 58.145 0.000 . 1 . . . . . 59 LEU CA . 51343 1 237 . 1 . 1 59 59 LEU N N 15 116.759 0.000 . 1 . . . . . 59 LEU N . 51343 1 238 . 1 . 1 60 60 LEU H H 1 7.762 0.000 . 1 . . . . . 60 LEU H . 51343 1 239 . 1 . 1 60 60 LEU C C 13 179.298 0.000 . 1 . . . . . 60 LEU C . 51343 1 240 . 1 . 1 60 60 LEU CA C 13 58.341 0.000 . 1 . . . . . 60 LEU CA . 51343 1 241 . 1 . 1 60 60 LEU N N 15 118.837 0.000 . 1 . . . . . 60 LEU N . 51343 1 242 . 1 . 1 61 61 VAL H H 1 8.016 0.000 . 1 . . . . . 61 VAL H . 51343 1 243 . 1 . 1 61 61 VAL CA C 13 65.673 0.000 . 1 . . . . . 61 VAL CA . 51343 1 244 . 1 . 1 61 61 VAL N N 15 116.863 0.000 . 1 . . . . . 61 VAL N . 51343 1 245 . 1 . 1 62 62 LEU C C 13 178.105 0.000 . 1 . . . . . 62 LEU C . 51343 1 246 . 1 . 1 62 62 LEU CA C 13 57.034 0.000 . 1 . . . . . 62 LEU CA . 51343 1 247 . 1 . 1 63 63 ASN H H 1 7.927 0.000 . 1 . . . . . 63 ASN H . 51343 1 248 . 1 . 1 63 63 ASN C C 13 176.173 0.000 . 1 . . . . . 63 ASN C . 51343 1 249 . 1 . 1 63 63 ASN CA C 13 55.165 0.000 . 1 . . . . . 63 ASN CA . 51343 1 250 . 1 . 1 63 63 ASN N N 15 116.708 0.000 . 1 . . . . . 63 ASN N . 51343 1 251 . 1 . 1 64 64 LYS H H 1 7.884 0.000 . 1 . . . . . 64 LYS H . 51343 1 252 . 1 . 1 64 64 LYS C C 13 177.059 0.000 . 1 . . . . . 64 LYS C . 51343 1 253 . 1 . 1 64 64 LYS CA C 13 57.033 0.000 . 1 . . . . . 64 LYS CA . 51343 1 254 . 1 . 1 64 64 LYS N N 15 119.315 0.000 . 1 . . . . . 64 LYS N . 51343 1 255 . 1 . 1 65 65 ALA H H 1 8.064 0.000 . 1 . . . . . 65 ALA H . 51343 1 256 . 1 . 1 65 65 ALA C C 13 178.256 0.000 . 1 . . . . . 65 ALA C . 51343 1 257 . 1 . 1 65 65 ALA CA C 13 53.218 0.000 . 1 . . . . . 65 ALA CA . 51343 1 258 . 1 . 1 65 65 ALA N N 15 122.506 0.000 . 1 . . . . . 65 ALA N . 51343 1 259 . 1 . 1 66 66 GLY H H 1 8.115 0.000 . 1 . . . . . 66 GLY H . 51343 1 260 . 1 . 1 66 66 GLY C C 13 174.002 0.000 . 1 . . . . . 66 GLY C . 51343 1 261 . 1 . 1 66 66 GLY CA C 13 45.531 0.000 . 1 . . . . . 66 GLY CA . 51343 1 262 . 1 . 1 66 66 GLY N N 15 106.473 0.000 . 1 . . . . . 66 GLY N . 51343 1 263 . 1 . 1 67 67 ARG H H 1 7.923 0.000 . 1 . . . . . 67 ARG H . 51343 1 264 . 1 . 1 67 67 ARG C C 13 176.238 0.000 . 1 . . . . . 67 ARG C . 51343 1 265 . 1 . 1 67 67 ARG CA C 13 56.090 0.000 . 1 . . . . . 67 ARG CA . 51343 1 266 . 1 . 1 67 67 ARG CB C 13 30.789 0.000 . 1 . . . . . 67 ARG CB . 51343 1 267 . 1 . 1 67 67 ARG N N 15 120.124 0.000 . 1 . . . . . 67 ARG N . 51343 1 268 . 1 . 1 69 69 ASN H H 1 8.420 0.000 . 1 . . . . . 69 ASN H . 51343 1 269 . 1 . 1 69 69 ASN C C 13 174.042 0.000 . 1 . . . . . 69 ASN C . 51343 1 270 . 1 . 1 69 69 ASN CA C 13 53.626 0.000 . 1 . . . . . 69 ASN CA . 51343 1 271 . 1 . 1 69 69 ASN CB C 13 39.062 0.000 . 1 . . . . . 69 ASN CB . 51343 1 272 . 1 . 1 69 69 ASN N N 15 120.140 0.000 . 1 . . . . . 69 ASN N . 51343 1 273 . 1 . 1 70 70 LYS H H 1 7.804 0.000 . 1 . . . . . 70 LYS H . 51343 1 274 . 1 . 1 70 70 LYS C C 13 180.922 0.000 . 1 . . . . . 70 LYS C . 51343 1 275 . 1 . 1 70 70 LYS CA C 13 57.910 0.000 . 1 . . . . . 70 LYS CA . 51343 1 276 . 1 . 1 70 70 LYS CB C 13 33.737 0.000 . 1 . . . . . 70 LYS CB . 51343 1 277 . 1 . 1 70 70 LYS N N 15 125.931 0.000 . 1 . . . . . 70 LYS N . 51343 1 stop_ save_