################################### # 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 51259 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name IAPP_assignment _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' . . . 51259 1 2 '3D HNCO' . . . 51259 1 3 '3D HNCA' . . . 51259 1 4 '3D HN(CA)CO' . . . 51259 1 5 '3D HN(CO)CACB' . . . 51259 1 6 '3D HN(CA)CB' . . . 51259 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 . . 51259 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 ASN C C 13 174.970 0.000 . 1 . . . . . 3 ASN C . 51259 1 2 . 1 . 1 3 3 ASN CA C 13 52.868 0.000 . 1 . . . . . 3 ASN CA . 51259 1 3 . 1 . 1 3 3 ASN CB C 13 39.402 0.000 . 1 . . . . . 3 ASN CB . 51259 1 4 . 1 . 1 4 4 THR H H 1 7.616 0.001 . 1 . . . . . 4 THR H . 51259 1 5 . 1 . 1 4 4 THR C C 13 174.773 0.003 . 1 . . . . . 4 THR C . 51259 1 6 . 1 . 1 4 4 THR CA C 13 61.093 0.000 . 1 . . . . . 4 THR CA . 51259 1 7 . 1 . 1 4 4 THR CB C 13 70.942 0.036 . 1 . . . . . 4 THR CB . 51259 1 8 . 1 . 1 4 4 THR N N 15 110.957 0.052 . 1 . . . . . 4 THR N . 51259 1 9 . 1 . 1 5 5 ALA H H 1 8.714 0.002 . 1 . . . . . 5 ALA H . 51259 1 10 . 1 . 1 5 5 ALA C C 13 179.546 0.004 . 1 . . . . . 5 ALA C . 51259 1 11 . 1 . 1 5 5 ALA CA C 13 54.742 0.013 . 1 . . . . . 5 ALA CA . 51259 1 12 . 1 . 1 5 5 ALA CB C 13 18.546 0.017 . 1 . . . . . 5 ALA CB . 51259 1 13 . 1 . 1 5 5 ALA N N 15 122.826 0.043 . 1 . . . . . 5 ALA N . 51259 1 14 . 1 . 1 6 6 THR H H 1 7.934 0.002 . 1 . . . . . 6 THR H . 51259 1 15 . 1 . 1 6 6 THR C C 13 175.208 0.002 . 1 . . . . . 6 THR C . 51259 1 16 . 1 . 1 6 6 THR CA C 13 62.802 0.007 . 1 . . . . . 6 THR CA . 51259 1 17 . 1 . 1 6 6 THR CB C 13 69.365 0.011 . 1 . . . . . 6 THR CB . 51259 1 18 . 1 . 1 6 6 THR N N 15 109.318 0.059 . 1 . . . . . 6 THR N . 51259 1 19 . 1 . 1 7 7 CYS H H 1 8.108 0.002 . 1 . . . . . 7 CYS H . 51259 1 20 . 1 . 1 7 7 CYS C C 13 174.984 0.005 . 1 . . . . . 7 CYS C . 51259 1 21 . 1 . 1 7 7 CYS CA C 13 56.288 0.001 . 1 . . . . . 7 CYS CA . 51259 1 22 . 1 . 1 7 7 CYS CB C 13 41.100 0.085 . 1 . . . . . 7 CYS CB . 51259 1 23 . 1 . 1 7 7 CYS N N 15 120.517 0.045 . 1 . . . . . 7 CYS N . 51259 1 24 . 1 . 1 8 8 ALA H H 1 8.201 0.001 . 1 . . . . . 8 ALA H . 51259 1 25 . 1 . 1 8 8 ALA C C 13 178.434 0.006 . 1 . . . . . 8 ALA C . 51259 1 26 . 1 . 1 8 8 ALA CA C 13 53.533 0.015 . 1 . . . . . 8 ALA CA . 51259 1 27 . 1 . 1 8 8 ALA CB C 13 18.829 0.004 . 1 . . . . . 8 ALA CB . 51259 1 28 . 1 . 1 8 8 ALA N N 15 124.517 0.042 . 1 . . . . . 8 ALA N . 51259 1 29 . 1 . 1 9 9 THR H H 1 8.132 0.002 . 1 . . . . . 9 THR H . 51259 1 30 . 1 . 1 9 9 THR C C 13 175.064 0.000 . 1 . . . . . 9 THR C . 51259 1 31 . 1 . 1 9 9 THR CA C 13 62.876 0.003 . 1 . . . . . 9 THR CA . 51259 1 32 . 1 . 1 9 9 THR CB C 13 69.457 0.007 . 1 . . . . . 9 THR CB . 51259 1 33 . 1 . 1 9 9 THR N N 15 113.557 0.052 . 1 . . . . . 9 THR N . 51259 1 34 . 1 . 1 10 10 GLN H H 1 8.251 0.002 . 1 . . . . . 10 GLN H . 51259 1 35 . 1 . 1 10 10 GLN C C 13 176.126 0.002 . 1 . . . . . 10 GLN C . 51259 1 36 . 1 . 1 10 10 GLN CA C 13 56.359 0.012 . 1 . . . . . 10 GLN CA . 51259 1 37 . 1 . 1 10 10 GLN CB C 13 29.132 0.070 . 1 . . . . . 10 GLN CB . 51259 1 38 . 1 . 1 10 10 GLN N N 15 122.737 0.052 . 1 . . . . . 10 GLN N . 51259 1 39 . 1 . 1 11 11 ARG H H 1 8.314 0.001 . 1 . . . . . 11 ARG H . 51259 1 40 . 1 . 1 11 11 ARG C C 13 176.570 0.010 . 1 . . . . . 11 ARG C . 51259 1 41 . 1 . 1 11 11 ARG CA C 13 56.590 0.046 . 1 . . . . . 11 ARG CA . 51259 1 42 . 1 . 1 11 11 ARG CB C 13 30.418 0.178 . 1 . . . . . 11 ARG CB . 51259 1 43 . 1 . 1 11 11 ARG N N 15 122.116 0.045 . 1 . . . . . 11 ARG N . 51259 1 44 . 1 . 1 12 12 LEU H H 1 8.198 0.001 . 1 . . . . . 12 LEU H . 51259 1 45 . 1 . 1 12 12 LEU C C 13 177.350 0.005 . 1 . . . . . 12 LEU C . 51259 1 46 . 1 . 1 12 12 LEU CA C 13 55.281 0.007 . 1 . . . . . 12 LEU CA . 51259 1 47 . 1 . 1 12 12 LEU CB C 13 42.240 0.048 . 1 . . . . . 12 LEU CB . 51259 1 48 . 1 . 1 12 12 LEU N N 15 123.013 0.051 . 1 . . . . . 12 LEU N . 51259 1 49 . 1 . 1 13 13 ALA H H 1 8.228 0.001 . 1 . . . . . 13 ALA H . 51259 1 50 . 1 . 1 13 13 ALA C C 13 177.614 0.001 . 1 . . . . . 13 ALA C . 51259 1 51 . 1 . 1 13 13 ALA CA C 13 52.885 0.017 . 1 . . . . . 13 ALA CA . 51259 1 52 . 1 . 1 13 13 ALA CB C 13 18.953 0.022 . 1 . . . . . 13 ALA CB . 51259 1 53 . 1 . 1 13 13 ALA N N 15 124.005 0.042 . 1 . . . . . 13 ALA N . 51259 1 54 . 1 . 1 14 14 ASN H H 1 8.247 0.001 . 1 . . . . . 14 ASN H . 51259 1 55 . 1 . 1 14 14 ASN C C 13 175.061 0.003 . 1 . . . . . 14 ASN C . 51259 1 56 . 1 . 1 14 14 ASN CA C 13 53.364 0.005 . 1 . . . . . 14 ASN CA . 51259 1 57 . 1 . 1 14 14 ASN CB C 13 38.534 0.006 . 1 . . . . . 14 ASN CB . 51259 1 58 . 1 . 1 14 14 ASN N N 15 116.955 0.048 . 1 . . . . . 14 ASN N . 51259 1 59 . 1 . 1 15 15 PHE H H 1 8.035 0.001 . 1 . . . . . 15 PHE H . 51259 1 60 . 1 . 1 15 15 PHE C C 13 175.558 0.012 . 1 . . . . . 15 PHE C . 51259 1 61 . 1 . 1 15 15 PHE CA C 13 58.087 0.004 . 1 . . . . . 15 PHE CA . 51259 1 62 . 1 . 1 15 15 PHE CB C 13 39.207 0.138 . 1 . . . . . 15 PHE CB . 51259 1 63 . 1 . 1 15 15 PHE N N 15 120.120 0.044 . 1 . . . . . 15 PHE N . 51259 1 64 . 1 . 1 16 16 LEU H H 1 8.076 0.001 . 1 . . . . . 16 LEU H . 51259 1 65 . 1 . 1 16 16 LEU C C 13 176.982 0.004 . 1 . . . . . 16 LEU C . 51259 1 66 . 1 . 1 16 16 LEU CA C 13 55.127 0.003 . 1 . . . . . 16 LEU CA . 51259 1 67 . 1 . 1 16 16 LEU CB C 13 42.229 0.063 . 1 . . . . . 16 LEU CB . 51259 1 68 . 1 . 1 16 16 LEU N N 15 123.080 0.065 . 1 . . . . . 16 LEU N . 51259 1 69 . 1 . 1 17 17 VAL H H 1 7.984 0.001 . 1 . . . . . 17 VAL H . 51259 1 70 . 1 . 1 17 17 VAL C C 13 175.944 0.008 . 1 . . . . . 17 VAL C . 51259 1 71 . 1 . 1 17 17 VAL CA C 13 62.518 0.015 . 1 . . . . . 17 VAL CA . 51259 1 72 . 1 . 1 17 17 VAL CB C 13 32.637 0.003 . 1 . . . . . 17 VAL CB . 51259 1 73 . 1 . 1 17 17 VAL N N 15 121.073 0.044 . 1 . . . . . 17 VAL N . 51259 1 74 . 1 . 1 18 18 HIS H H 1 8.418 0.001 . 1 . . . . . 18 HIS H . 51259 1 75 . 1 . 1 18 18 HIS C C 13 175.218 0.000 . 1 . . . . . 18 HIS C . 51259 1 76 . 1 . 1 18 18 HIS CA C 13 56.089 0.019 . 1 . . . . . 18 HIS CA . 51259 1 77 . 1 . 1 18 18 HIS CB C 13 30.641 0.156 . 1 . . . . . 18 HIS CB . 51259 1 78 . 1 . 1 18 18 HIS N N 15 123.237 0.046 . 1 . . . . . 18 HIS N . 51259 1 79 . 1 . 1 19 19 SER H H 1 8.301 0.005 . 1 . . . . . 19 SER H . 51259 1 80 . 1 . 1 19 19 SER C C 13 174.567 0.002 . 1 . . . . . 19 SER C . 51259 1 81 . 1 . 1 19 19 SER CA C 13 58.290 0.004 . 1 . . . . . 19 SER CA . 51259 1 82 . 1 . 1 19 19 SER CB C 13 63.819 0.027 . 1 . . . . . 19 SER CB . 51259 1 83 . 1 . 1 19 19 SER N N 15 117.518 0.087 . 1 . . . . . 19 SER N . 51259 1 84 . 1 . 1 20 20 SER H H 1 8.498 0.001 . 1 . . . . . 20 SER H . 51259 1 85 . 1 . 1 20 20 SER C C 13 174.209 0.018 . 1 . . . . . 20 SER C . 51259 1 86 . 1 . 1 20 20 SER CA C 13 58.492 0.015 . 1 . . . . . 20 SER CA . 51259 1 87 . 1 . 1 20 20 SER CB C 13 63.729 0.001 . 1 . . . . . 20 SER CB . 51259 1 88 . 1 . 1 20 20 SER N N 15 117.904 0.039 . 1 . . . . . 20 SER N . 51259 1 89 . 1 . 1 21 21 ASN H H 1 8.391 0.017 . 1 . . . . . 21 ASN H . 51259 1 90 . 1 . 1 21 21 ASN C C 13 174.761 0.002 . 1 . . . . . 21 ASN C . 51259 1 91 . 1 . 1 21 21 ASN CA C 13 53.128 0.023 . 1 . . . . . 21 ASN CA . 51259 1 92 . 1 . 1 21 21 ASN CB C 13 38.644 0.033 . 1 . . . . . 21 ASN CB . 51259 1 93 . 1 . 1 21 21 ASN N N 15 120.188 0.140 . 1 . . . . . 21 ASN N . 51259 1 94 . 1 . 1 22 22 ASN H H 1 8.287 0.002 . 1 . . . . . 22 ASN H . 51259 1 95 . 1 . 1 22 22 ASN C C 13 175.053 0.001 . 1 . . . . . 22 ASN C . 51259 1 96 . 1 . 1 22 22 ASN CA C 13 53.097 0.028 . 1 . . . . . 22 ASN CA . 51259 1 97 . 1 . 1 22 22 ASN CB C 13 38.529 0.034 . 1 . . . . . 22 ASN CB . 51259 1 98 . 1 . 1 22 22 ASN N N 15 118.781 0.047 . 1 . . . . . 22 ASN N . 51259 1 99 . 1 . 1 23 23 PHE H H 1 8.253 0.001 . 1 . . . . . 23 PHE H . 51259 1 100 . 1 . 1 23 23 PHE C C 13 176.368 0.001 . 1 . . . . . 23 PHE C . 51259 1 101 . 1 . 1 23 23 PHE CA C 13 58.252 0.002 . 1 . . . . . 23 PHE CA . 51259 1 102 . 1 . 1 23 23 PHE CB C 13 38.856 0.106 . 1 . . . . . 23 PHE CB . 51259 1 103 . 1 . 1 23 23 PHE N N 15 120.466 0.049 . 1 . . . . . 23 PHE N . 51259 1 104 . 1 . 1 24 24 GLY H H 1 8.324 0.002 . 1 . . . . . 24 GLY H . 51259 1 105 . 1 . 1 24 24 GLY C C 13 173.713 0.002 . 1 . . . . . 24 GLY C . 51259 1 106 . 1 . 1 24 24 GLY CA C 13 45.202 0.019 . 1 . . . . . 24 GLY CA . 51259 1 107 . 1 . 1 24 24 GLY N N 15 110.271 0.054 . 1 . . . . . 24 GLY N . 51259 1 108 . 1 . 1 25 25 ALA H H 1 8.001 0.001 . 1 . . . . . 25 ALA H . 51259 1 109 . 1 . 1 25 25 ALA C C 13 177.646 0.002 . 1 . . . . . 25 ALA C . 51259 1 110 . 1 . 1 25 25 ALA CA C 13 52.434 0.006 . 1 . . . . . 25 ALA CA . 51259 1 111 . 1 . 1 25 25 ALA CB C 13 19.181 0.043 . 1 . . . . . 25 ALA CB . 51259 1 112 . 1 . 1 25 25 ALA N N 15 123.644 0.041 . 1 . . . . . 25 ALA N . 51259 1 113 . 1 . 1 26 26 ILE H H 1 8.202 0.002 . 1 . . . . . 26 ILE H . 51259 1 114 . 1 . 1 26 26 ILE C C 13 176.433 0.007 . 1 . . . . . 26 ILE C . 51259 1 115 . 1 . 1 26 26 ILE CA C 13 61.068 0.004 . 1 . . . . . 26 ILE CA . 51259 1 116 . 1 . 1 26 26 ILE CB C 13 38.481 0.066 . 1 . . . . . 26 ILE CB . 51259 1 117 . 1 . 1 26 26 ILE N N 15 120.684 0.050 . 1 . . . . . 26 ILE N . 51259 1 118 . 1 . 1 27 27 LEU H H 1 8.432 0.001 . 1 . . . . . 27 LEU H . 51259 1 119 . 1 . 1 27 27 LEU C C 13 177.282 0.008 . 1 . . . . . 27 LEU C . 51259 1 120 . 1 . 1 27 27 LEU CA C 13 54.990 0.002 . 1 . . . . . 27 LEU CA . 51259 1 121 . 1 . 1 27 27 LEU CB C 13 42.209 0.050 . 1 . . . . . 27 LEU CB . 51259 1 122 . 1 . 1 27 27 LEU N N 15 127.079 0.042 . 1 . . . . . 27 LEU N . 51259 1 123 . 1 . 1 28 28 SER H H 1 8.382 0.001 . 1 . . . . . 28 SER H . 51259 1 124 . 1 . 1 28 28 SER C C 13 174.643 0.003 . 1 . . . . . 28 SER C . 51259 1 125 . 1 . 1 28 28 SER CA C 13 58.204 0.006 . 1 . . . . . 28 SER CA . 51259 1 126 . 1 . 1 28 28 SER CB C 13 63.785 0.008 . 1 . . . . . 28 SER CB . 51259 1 127 . 1 . 1 28 28 SER N N 15 116.977 0.055 . 1 . . . . . 28 SER N . 51259 1 128 . 1 . 1 29 29 SER H H 1 8.443 0.001 . 1 . . . . . 29 SER H . 51259 1 129 . 1 . 1 29 29 SER C C 13 174.727 0.025 . 1 . . . . . 29 SER C . 51259 1 130 . 1 . 1 29 29 SER CA C 13 58.404 0.008 . 1 . . . . . 29 SER CA . 51259 1 131 . 1 . 1 29 29 SER CB C 13 63.728 0.014 . 1 . . . . . 29 SER CB . 51259 1 132 . 1 . 1 29 29 SER N N 15 117.909 0.041 . 1 . . . . . 29 SER N . 51259 1 133 . 1 . 1 30 30 THR H H 1 8.183 0.001 . 1 . . . . . 30 THR H . 51259 1 134 . 1 . 1 30 30 THR C C 13 174.201 0.002 . 1 . . . . . 30 THR C . 51259 1 135 . 1 . 1 30 30 THR CA C 13 61.886 0.011 . 1 . . . . . 30 THR CA . 51259 1 136 . 1 . 1 30 30 THR CB C 13 69.615 0.036 . 1 . . . . . 30 THR CB . 51259 1 137 . 1 . 1 30 30 THR N N 15 115.207 0.051 . 1 . . . . . 30 THR N . 51259 1 138 . 1 . 1 31 31 ASN H H 1 8.430 0.001 . 1 . . . . . 31 ASN H . 51259 1 139 . 1 . 1 31 31 ASN C C 13 175.152 0.004 . 1 . . . . . 31 ASN C . 51259 1 140 . 1 . 1 31 31 ASN CA C 13 53.213 0.002 . 1 . . . . . 31 ASN CA . 51259 1 141 . 1 . 1 31 31 ASN CB C 13 38.708 0.001 . 1 . . . . . 31 ASN CB . 51259 1 142 . 1 . 1 31 31 ASN N N 15 121.483 0.046 . 1 . . . . . 31 ASN N . 51259 1 143 . 1 . 1 32 32 VAL H H 1 8.202 0.002 . 1 . . . . . 32 VAL H . 51259 1 144 . 1 . 1 32 32 VAL C C 13 176.726 0.005 . 1 . . . . . 32 VAL C . 51259 1 145 . 1 . 1 32 32 VAL CA C 13 62.629 0.008 . 1 . . . . . 32 VAL CA . 51259 1 146 . 1 . 1 32 32 VAL CB C 13 32.437 0.043 . 1 . . . . . 32 VAL CB . 51259 1 147 . 1 . 1 32 32 VAL N N 15 120.681 0.064 . 1 . . . . . 32 VAL N . 51259 1 148 . 1 . 1 33 33 GLY H H 1 8.549 0.002 . 1 . . . . . 33 GLY H . 51259 1 149 . 1 . 1 33 33 GLY C C 13 174.119 0.003 . 1 . . . . . 33 GLY C . 51259 1 150 . 1 . 1 33 33 GLY CA C 13 45.191 0.018 . 1 . . . . . 33 GLY CA . 51259 1 151 . 1 . 1 33 33 GLY N N 15 112.576 0.053 . 1 . . . . . 33 GLY N . 51259 1 152 . 1 . 1 34 34 SER H H 1 8.243 0.001 . 1 . . . . . 34 SER H . 51259 1 153 . 1 . 1 34 34 SER C C 13 174.243 0.031 . 1 . . . . . 34 SER C . 51259 1 154 . 1 . 1 34 34 SER CA C 13 58.205 0.004 . 1 . . . . . 34 SER CA . 51259 1 155 . 1 . 1 34 34 SER CB C 13 63.794 0.005 . 1 . . . . . 34 SER CB . 51259 1 156 . 1 . 1 34 34 SER N N 15 115.543 0.054 . 1 . . . . . 34 SER N . 51259 1 157 . 1 . 1 35 35 ASN H H 1 8.544 0.001 . 1 . . . . . 35 ASN H . 51259 1 158 . 1 . 1 35 35 ASN C C 13 174.995 0.005 . 1 . . . . . 35 ASN C . 51259 1 159 . 1 . 1 35 35 ASN CA C 13 53.246 0.014 . 1 . . . . . 35 ASN CA . 51259 1 160 . 1 . 1 35 35 ASN CB C 13 38.795 0.026 . 1 . . . . . 35 ASN CB . 51259 1 161 . 1 . 1 35 35 ASN N N 15 120.716 0.046 . 1 . . . . . 35 ASN N . 51259 1 162 . 1 . 1 36 36 THR H H 1 8.060 0.001 . 1 . . . . . 36 THR H . 51259 1 163 . 1 . 1 36 36 THR C C 13 173.166 0.002 . 1 . . . . . 36 THR C . 51259 1 164 . 1 . 1 36 36 THR CA C 13 61.632 0.014 . 1 . . . . . 36 THR CA . 51259 1 165 . 1 . 1 36 36 THR CB C 13 69.877 0.077 . 1 . . . . . 36 THR CB . 51259 1 166 . 1 . 1 36 36 THR N N 15 114.035 0.040 . 1 . . . . . 36 THR N . 51259 1 167 . 1 . 1 37 37 TYR H H 1 7.777 0.001 . 1 . . . . . 37 TYR H . 51259 1 168 . 1 . 1 37 37 TYR C C 13 180.329 0.000 . 1 . . . . . 37 TYR C . 51259 1 169 . 1 . 1 37 37 TYR CA C 13 59.048 0.000 . 1 . . . . . 37 TYR CA . 51259 1 170 . 1 . 1 37 37 TYR CB C 13 39.339 0.000 . 1 . . . . . 37 TYR CB . 51259 1 171 . 1 . 1 37 37 TYR N N 15 127.036 0.043 . 1 . . . . . 37 TYR N . 51259 1 stop_ save_