################################### # 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 51824 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'N-terminal RNA recognition motif of the Sorghum Glycine-Rich RNA-Binding Protein(SbGRBP)' _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 51824 1 2 '3D HNCA' . . . 51824 1 3 '3D HN(CO)CA' . . . 51824 1 4 '3D CBCANH' . . . 51824 1 5 '3D HNCACB' . . . 51824 1 6 '3D CBCACONH' . . . 51824 1 7 '3D HNCO' . . . 51824 1 8 '3D HN(CA)CO' . . . 51824 1 9 '3D 1H-15N TOCSY' . . . 51824 1 10 '3D 1H-15N NOESY' . . . 51824 1 11 '3D 1H-15N NOESY' . . . 51824 1 12 '3D 1H-15N TOCSY' . . . 51824 1 13 '3D 1H-15N TOCSY' . . . 51824 1 14 '3D 1H-13C NOESY' . . . 51824 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 . . 51824 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 1 1 MET H H 1 7.207 0.020 . 1 . . . . . 1 MET H . 51824 1 2 . 1 . 1 1 1 MET C C 13 171.185 0.3 . 1 . . . . . 1 MET C . 51824 1 3 . 1 . 1 1 1 MET CA C 13 53.214 0.3 . 1 . . . . . 1 MET CA . 51824 1 4 . 1 . 1 1 1 MET CB C 13 30.895 0.3 . 1 . . . . . 1 MET CB . 51824 1 5 . 1 . 1 1 1 MET N N 15 121.319 0.3 . 1 . . . . . 1 MET N . 51824 1 6 . 1 . 1 2 2 ALA H H 1 8.457 0.020 . 1 . . . . . 2 ALA H . 51824 1 7 . 1 . 1 2 2 ALA C C 13 171.995 0.3 . 1 . . . . . 2 ALA C . 51824 1 8 . 1 . 1 2 2 ALA CA C 13 48.759 0.3 . 1 . . . . . 2 ALA CA . 51824 1 9 . 1 . 1 2 2 ALA CB C 13 17.096 0.3 . 1 . . . . . 2 ALA CB . 51824 1 10 . 1 . 1 2 2 ALA N N 15 127.569 0.3 . 1 . . . . . 2 ALA N . 51824 1 11 . 1 . 1 3 3 ALA H H 1 8.593 0.020 . 1 . . . . . 3 ALA H . 51824 1 12 . 1 . 1 3 3 ALA C C 13 172.534 0.3 . 1 . . . . . 3 ALA C . 51824 1 13 . 1 . 1 3 3 ALA CA C 13 50.263 0.3 . 1 . . . . . 3 ALA CA . 51824 1 14 . 1 . 1 3 3 ALA CB C 13 16.415 0.3 . 1 . . . . . 3 ALA CB . 51824 1 15 . 1 . 1 3 3 ALA N N 15 119.244 0.3 . 1 . . . . . 3 ALA N . 51824 1 16 . 1 . 1 4 4 PHE H H 1 8.107 0.020 . 1 . . . . . 4 PHE H . 51824 1 17 . 1 . 1 4 4 PHE C C 13 171.914 0.3 . 1 . . . . . 4 PHE C . 51824 1 18 . 1 . 1 4 4 PHE CA C 13 58.482 0.3 . 1 . . . . . 4 PHE CA . 51824 1 19 . 1 . 1 4 4 PHE CB C 13 35.989 0.3 . 1 . . . . . 4 PHE CB . 51824 1 20 . 1 . 1 4 4 PHE N N 15 121.722 0.3 . 1 . . . . . 4 PHE N . 51824 1 21 . 1 . 1 5 5 ASN H H 1 8.383 0.020 . 1 . . . . . 5 ASN H . 51824 1 22 . 1 . 1 5 5 ASN C C 13 174.018 0.3 . 1 . . . . . 5 ASN C . 51824 1 23 . 1 . 1 5 5 ASN CA C 13 51.822 0.3 . 1 . . . . . 5 ASN CA . 51824 1 24 . 1 . 1 5 5 ASN CB C 13 38.368 0.3 . 1 . . . . . 5 ASN CB . 51824 1 25 . 1 . 1 5 5 ASN N N 15 120.828 0.3 . 1 . . . . . 5 ASN N . 51824 1 26 . 1 . 1 6 6 LYS H H 1 8.432 0.020 . 1 . . . . . 6 LYS H . 51824 1 27 . 1 . 1 6 6 LYS C C 13 173.532 0.3 . 1 . . . . . 6 LYS C . 51824 1 28 . 1 . 1 6 6 LYS CA C 13 49.928 0.3 . 1 . . . . . 6 LYS CA . 51824 1 29 . 1 . 1 6 6 LYS CB C 13 30.257 0.3 . 1 . . . . . 6 LYS CB . 51824 1 30 . 1 . 1 6 6 LYS N N 15 126.360 0.3 . 1 . . . . . 6 LYS N . 51824 1 31 . 1 . 1 7 7 LEU H H 1 8.061 0.020 . 1 . . . . . 7 LEU H . 51824 1 32 . 1 . 1 7 7 LEU C C 13 174.206 0.3 . 1 . . . . . 7 LEU C . 51824 1 33 . 1 . 1 7 7 LEU CA C 13 52.599 0.3 . 1 . . . . . 7 LEU CA . 51824 1 34 . 1 . 1 7 7 LEU CB C 13 39.449 0.3 . 1 . . . . . 7 LEU CB . 51824 1 35 . 1 . 1 7 7 LEU N N 15 122.115 0.3 . 1 . . . . . 7 LEU N . 51824 1 36 . 1 . 1 8 8 GLY H H 1 8.282 0.020 . 1 . . . . . 8 GLY H . 51824 1 37 . 1 . 1 8 8 GLY C C 13 172.345 0.3 . 1 . . . . . 8 GLY C . 51824 1 38 . 1 . 1 8 8 GLY CA C 13 42.968 0.3 . 1 . . . . . 8 GLY CA . 51824 1 39 . 1 . 1 8 8 GLY N N 15 108.970 0.3 . 1 . . . . . 8 GLY N . 51824 1 40 . 1 . 1 9 9 SER H H 1 8.100 0.020 . 1 . . . . . 9 SER H . 51824 1 41 . 1 . 1 9 9 SER C C 13 172.372 0.3 . 1 . . . . . 9 SER C . 51824 1 42 . 1 . 1 9 9 SER CA C 13 56.054 0.3 . 1 . . . . . 9 SER CA . 51824 1 43 . 1 . 1 9 9 SER CB C 13 60.978 0.3 . 1 . . . . . 9 SER CB . 51824 1 44 . 1 . 1 9 9 SER N N 15 115.579 0.3 . 1 . . . . . 9 SER N . 51824 1 45 . 1 . 1 10 10 LEU H H 1 8.043 0.020 . 1 . . . . . 10 LEU H . 51824 1 46 . 1 . 1 10 10 LEU C C 13 172.210 0.3 . 1 . . . . . 10 LEU C . 51824 1 47 . 1 . 1 10 10 LEU CA C 13 59.395 0.3 . 1 . . . . . 10 LEU CA . 51824 1 48 . 1 . 1 10 10 LEU CB C 13 42.571 0.3 . 1 . . . . . 10 LEU CB . 51824 1 49 . 1 . 1 10 10 LEU N N 15 112.037 0.3 . 1 . . . . . 10 LEU N . 51824 1 50 . 1 . 1 11 11 LEU H H 1 8.235 0.020 . 1 . . . . . 11 LEU H . 51824 1 51 . 1 . 1 11 11 LEU C C 13 172.939 0.3 . 1 . . . . . 11 LEU C . 51824 1 52 . 1 . 1 11 11 LEU CA C 13 55.690 0.3 . 1 . . . . . 11 LEU CA . 51824 1 53 . 1 . 1 11 11 LEU CB C 13 37.715 0.3 . 1 . . . . . 11 LEU CB . 51824 1 54 . 1 . 1 11 11 LEU N N 15 107.241 0.3 . 1 . . . . . 11 LEU N . 51824 1 55 . 1 . 1 12 12 ARG H H 1 7.806 0.020 . 1 . . . . . 12 ARG H . 51824 1 56 . 1 . 1 12 12 ARG C C 13 176.445 0.3 . 1 . . . . . 12 ARG C . 51824 1 57 . 1 . 1 12 12 ARG CA C 13 55.541 0.3 . 1 . . . . . 12 ARG CA . 51824 1 58 . 1 . 1 12 12 ARG CB C 13 29.042 0.3 . 1 . . . . . 12 ARG CB . 51824 1 59 . 1 . 1 12 12 ARG N N 15 117.294 0.3 . 1 . . . . . 12 ARG N . 51824 1 60 . 1 . 1 13 13 HIS H H 1 8.379 0.020 . 1 . . . . . 13 HIS H . 51824 1 61 . 1 . 1 13 13 HIS C C 13 174.018 0.3 . 1 . . . . . 13 HIS C . 51824 1 62 . 1 . 1 13 13 HIS CA C 13 56.250 0.3 . 1 . . . . . 13 HIS CA . 51824 1 63 . 1 . 1 13 13 HIS CB C 13 30.365 0.3 . 1 . . . . . 13 HIS CB . 51824 1 64 . 1 . 1 13 13 HIS N N 15 121.570 0.3 . 1 . . . . . 13 HIS N . 51824 1 65 . 1 . 1 14 14 SER H H 1 7.933 0.020 . 1 . . . . . 14 SER H . 51824 1 66 . 1 . 1 14 14 SER C C 13 172.615 0.3 . 1 . . . . . 14 SER C . 51824 1 67 . 1 . 1 14 14 SER CA C 13 56.332 0.3 . 1 . . . . . 14 SER CA . 51824 1 68 . 1 . 1 14 14 SER CB C 13 69.029 0.3 . 1 . . . . . 14 SER CB . 51824 1 69 . 1 . 1 14 14 SER N N 15 116.437 0.3 . 1 . . . . . 14 SER N . 51824 1 70 . 1 . 1 15 15 ALA H H 1 8.137 0.020 . 1 . . . . . 15 ALA H . 51824 1 71 . 1 . 1 15 15 ALA C C 13 176.931 0.3 . 1 . . . . . 15 ALA C . 51824 1 72 . 1 . 1 15 15 ALA CA C 13 54.495 0.3 . 1 . . . . . 15 ALA CA . 51824 1 73 . 1 . 1 15 15 ALA CB C 13 16.199 0.3 . 1 . . . . . 15 ALA CB . 51824 1 74 . 1 . 1 15 15 ALA N N 15 125.338 0.3 . 1 . . . . . 15 ALA N . 51824 1 75 . 1 . 1 16 16 LEU H H 1 8.524 0.020 . 1 . . . . . 16 LEU H . 51824 1 76 . 1 . 1 16 16 LEU C C 13 172.480 0.3 . 1 . . . . . 16 LEU C . 51824 1 77 . 1 . 1 16 16 LEU CA C 13 53.102 0.3 . 1 . . . . . 16 LEU CA . 51824 1 78 . 1 . 1 16 16 LEU CB C 13 41.323 0.3 . 1 . . . . . 16 LEU CB . 51824 1 79 . 1 . 1 16 16 LEU N N 15 114.140 0.3 . 1 . . . . . 16 LEU N . 51824 1 80 . 1 . 1 17 17 ALA H H 1 8.168 0.020 . 1 . . . . . 17 ALA H . 51824 1 81 . 1 . 1 17 17 ALA C C 13 175.609 0.3 . 1 . . . . . 17 ALA C . 51824 1 82 . 1 . 1 17 17 ALA CA C 13 50.318 0.3 . 1 . . . . . 17 ALA CA . 51824 1 83 . 1 . 1 17 17 ALA CB C 13 16.279 0.3 . 1 . . . . . 17 ALA CB . 51824 1 84 . 1 . 1 17 17 ALA N N 15 124.520 0.3 . 1 . . . . . 17 ALA N . 51824 1 85 . 1 . 1 18 18 SER H H 1 8.171 0.020 . 1 . . . . . 18 SER H . 51824 1 86 . 1 . 1 18 18 SER C C 13 175.582 0.3 . 1 . . . . . 18 SER C . 51824 1 87 . 1 . 1 18 18 SER CA C 13 55.775 0.3 . 1 . . . . . 18 SER CA . 51824 1 88 . 1 . 1 18 18 SER CB C 13 60.964 0.3 . 1 . . . . . 18 SER CB . 51824 1 89 . 1 . 1 18 18 SER N N 15 114.474 0.3 . 1 . . . . . 18 SER N . 51824 1 90 . 1 . 1 19 19 GLY H H 1 8.369 0.020 . 1 . . . . . 19 GLY H . 51824 1 91 . 1 . 1 19 19 GLY C C 13 171.995 0.3 . 1 . . . . . 19 GLY C . 51824 1 92 . 1 . 1 19 19 GLY CA C 13 42.745 0.3 . 1 . . . . . 19 GLY CA . 51824 1 93 . 1 . 1 19 19 GLY N N 15 111.033 0.3 . 1 . . . . . 19 GLY N . 51824 1 94 . 1 . 1 20 20 VAL H H 1 8.014 0.020 . 1 . . . . . 20 VAL H . 51824 1 95 . 1 . 1 20 20 VAL C C 13 176.580 0.3 . 1 . . . . . 20 VAL C . 51824 1 96 . 1 . 1 20 20 VAL CA C 13 51.432 0.3 . 1 . . . . . 20 VAL CA . 51824 1 97 . 1 . 1 20 20 VAL CB C 13 27.770 0.3 . 1 . . . . . 20 VAL CB . 51824 1 98 . 1 . 1 20 20 VAL N N 15 119.800 0.3 . 1 . . . . . 20 VAL N . 51824 1 99 . 1 . 1 21 21 ALA H H 1 8.373 0.020 . 1 . . . . . 21 ALA H . 51824 1 100 . 1 . 1 21 21 ALA C C 13 174.530 0.3 . 1 . . . . . 21 ALA C . 51824 1 101 . 1 . 1 21 21 ALA CA C 13 50.040 0.3 . 1 . . . . . 21 ALA CA . 51824 1 102 . 1 . 1 21 21 ALA CB C 13 16.990 0.3 . 1 . . . . . 21 ALA CB . 51824 1 103 . 1 . 1 21 21 ALA N N 15 124.329 0.3 . 1 . . . . . 21 ALA N . 51824 1 104 . 1 . 1 22 22 ALA H H 1 8.232 0.020 . 1 . . . . . 22 ALA H . 51824 1 105 . 1 . 1 22 22 ALA C C 13 175.312 0.3 . 1 . . . . . 22 ALA C . 51824 1 106 . 1 . 1 22 22 ALA CA C 13 49.756 0.3 . 1 . . . . . 22 ALA CA . 51824 1 107 . 1 . 1 22 22 ALA CB C 13 16.415 0.3 . 1 . . . . . 22 ALA CB . 51824 1 108 . 1 . 1 22 22 ALA N N 15 123.270 0.3 . 1 . . . . . 22 ALA N . 51824 1 109 . 1 . 1 23 23 SER H H 1 8.214 0.020 . 1 . . . . . 23 SER H . 51824 1 110 . 1 . 1 23 23 SER C C 13 172.372 0.3 . 1 . . . . . 23 SER C . 51824 1 111 . 1 . 1 23 23 SER CA C 13 55.742 0.3 . 1 . . . . . 23 SER CA . 51824 1 112 . 1 . 1 23 23 SER CB C 13 60.754 0.3 . 1 . . . . . 23 SER CB . 51824 1 113 . 1 . 1 23 23 SER N N 15 114.495 0.3 . 1 . . . . . 23 SER N . 51824 1 114 . 1 . 1 24 24 SER H H 1 8.235 0.020 . 1 . . . . . 24 SER H . 51824 1 115 . 1 . 1 24 24 SER C C 13 170.484 0.3 . 1 . . . . . 24 SER C . 51824 1 116 . 1 . 1 24 24 SER CA C 13 53.659 0.3 . 1 . . . . . 24 SER CA . 51824 1 117 . 1 . 1 24 24 SER CB C 13 60.644 0.3 . 1 . . . . . 24 SER CB . 51824 1 118 . 1 . 1 24 24 SER N N 15 118.484 0.3 . 1 . . . . . 24 SER N . 51824 1 119 . 1 . 1 27 27 ALA H H 1 8.396 0.020 . 1 . . . . . 27 ALA H . 51824 1 120 . 1 . 1 27 27 ALA C C 13 175.690 0.3 . 1 . . . . . 27 ALA C . 51824 1 121 . 1 . 1 27 27 ALA CA C 13 50.479 0.3 . 1 . . . . . 27 ALA CA . 51824 1 122 . 1 . 1 27 27 ALA CB C 13 16.415 0.3 . 1 . . . . . 27 ALA CB . 51824 1 123 . 1 . 1 27 27 ALA N N 15 126.091 0.3 . 1 . . . . . 27 ALA N . 51824 1 124 . 1 . 1 28 28 VAL H H 1 8.050 0.020 . 1 . . . . . 28 VAL H . 51824 1 125 . 1 . 1 28 28 VAL C C 13 174.422 0.3 . 1 . . . . . 28 VAL C . 51824 1 126 . 1 . 1 28 28 VAL CA C 13 53.477 0.3 . 1 . . . . . 28 VAL CA . 51824 1 127 . 1 . 1 28 28 VAL CB C 13 30.257 0.3 . 1 . . . . . 28 VAL CB . 51824 1 128 . 1 . 1 28 28 VAL N N 15 120.411 0.3 . 1 . . . . . 28 VAL N . 51824 1 129 . 1 . 1 29 29 PHE H H 1 8.474 0.020 . 1 . . . . . 29 PHE H . 51824 1 130 . 1 . 1 29 29 PHE C C 13 174.530 0.3 . 1 . . . . . 29 PHE C . 51824 1 131 . 1 . 1 29 29 PHE CA C 13 54.996 0.3 . 1 . . . . . 29 PHE CA . 51824 1 132 . 1 . 1 29 29 PHE CB C 13 40.855 0.3 . 1 . . . . . 29 PHE CB . 51824 1 133 . 1 . 1 29 29 PHE N N 15 122.492 0.3 . 1 . . . . . 29 PHE N . 51824 1 134 . 1 . 1 30 30 ASN H H 1 8.761 0.020 . 1 . . . . . 30 ASN H . 51824 1 135 . 1 . 1 30 30 ASN CA C 13 49.037 0.3 . 1 . . . . . 30 ASN CA . 51824 1 136 . 1 . 1 30 30 ASN CB C 13 39.695 0.3 . 1 . . . . . 30 ASN CB . 51824 1 137 . 1 . 1 30 30 ASN N N 15 124.872 0.3 . 1 . . . . . 30 ASN N . 51824 1 138 . 1 . 1 32 32 ALA H H 1 8.131 0.020 . 1 . . . . . 32 ALA H . 51824 1 139 . 1 . 1 32 32 ALA C C 13 176.148 0.3 . 1 . . . . . 32 ALA C . 51824 1 140 . 1 . 1 32 32 ALA CA C 13 53.570 0.3 . 1 . . . . . 32 ALA CA . 51824 1 141 . 1 . 1 32 32 ALA CB C 13 16.307 0.3 . 1 . . . . . 32 ALA CB . 51824 1 142 . 1 . 1 32 32 ALA N N 15 114.495 0.3 . 1 . . . . . 32 ALA N . 51824 1 143 . 1 . 1 33 33 ARG H H 1 8.288 0.020 . 1 . . . . . 33 ARG H . 51824 1 144 . 1 . 1 33 33 ARG C C 13 172.453 0.3 . 1 . . . . . 33 ARG C . 51824 1 145 . 1 . 1 33 33 ARG CA C 13 52.991 0.3 . 1 . . . . . 33 ARG CA . 51824 1 146 . 1 . 1 33 33 ARG CB C 13 27.229 0.3 . 1 . . . . . 33 ARG CB . 51824 1 147 . 1 . 1 33 33 ARG N N 15 119.267 0.3 . 1 . . . . . 33 ARG N . 51824 1 148 . 1 . 1 34 34 LEU H H 1 8.258 0.020 . 1 . . . . . 34 LEU H . 51824 1 149 . 1 . 1 34 34 LEU C C 13 173.964 0.3 . 1 . . . . . 34 LEU C . 51824 1 150 . 1 . 1 34 34 LEU CA C 13 50.318 0.3 . 1 . . . . . 34 LEU CA . 51824 1 151 . 1 . 1 34 34 LEU CB C 13 36.313 0.3 . 1 . . . . . 34 LEU CB . 51824 1 152 . 1 . 1 34 34 LEU N N 15 121.660 0.3 . 1 . . . . . 34 LEU N . 51824 1 153 . 1 . 1 35 35 MET H H 1 9.515 0.020 . 1 . . . . . 35 MET H . 51824 1 154 . 1 . 1 35 35 MET C C 13 182.082 0.3 . 1 . . . . . 35 MET C . 51824 1 155 . 1 . 1 35 35 MET CA C 13 52.645 0.3 . 1 . . . . . 35 MET CA . 51824 1 156 . 1 . 1 35 35 MET N N 15 129.893 0.3 . 1 . . . . . 35 MET N . 51824 1 157 . 1 . 1 36 36 SER H H 1 8.636 0.020 . 1 . . . . . 36 SER H . 51824 1 158 . 1 . 1 36 36 SER C C 13 174.341 0.3 . 1 . . . . . 36 SER C . 51824 1 159 . 1 . 1 36 36 SER CA C 13 55.887 0.3 . 1 . . . . . 36 SER CA . 51824 1 160 . 1 . 1 36 36 SER CB C 13 61.185 0.3 . 1 . . . . . 36 SER CB . 51824 1 161 . 1 . 1 36 36 SER N N 15 115.591 0.3 . 1 . . . . . 36 SER N . 51824 1 162 . 1 . 1 38 38 LYS H H 1 7.962 0.020 . 1 . . . . . 38 LYS H . 51824 1 163 . 1 . 1 38 38 LYS C C 13 172.723 0.3 . 1 . . . . . 38 LYS C . 51824 1 164 . 1 . 1 38 38 LYS CA C 13 52.824 0.3 . 1 . . . . . 38 LYS CA . 51824 1 165 . 1 . 1 38 38 LYS CB C 13 32.442 0.3 . 1 . . . . . 38 LYS CB . 51824 1 166 . 1 . 1 38 38 LYS N N 15 124.027 0.3 . 1 . . . . . 38 LYS N . 51824 1 167 . 1 . 1 39 39 LEU H H 1 9.637 0.020 . 1 . . . . . 39 LEU H . 51824 1 168 . 1 . 1 39 39 LEU C C 13 174.341 0.3 . 1 . . . . . 39 LEU C . 51824 1 169 . 1 . 1 39 39 LEU CA C 13 50.541 0.3 . 1 . . . . . 39 LEU CA . 51824 1 170 . 1 . 1 39 39 LEU CB C 13 41.506 0.3 . 1 . . . . . 39 LEU CB . 51824 1 171 . 1 . 1 39 39 LEU N N 15 124.901 0.3 . 1 . . . . . 39 LEU N . 51824 1 172 . 1 . 1 40 40 PHE H H 1 8.321 0.020 . 1 . . . . . 40 PHE H . 51824 1 173 . 1 . 1 40 40 PHE C C 13 173.937 0.3 . 1 . . . . . 40 PHE C . 51824 1 174 . 1 . 1 40 40 PHE CA C 13 59.339 0.3 . 1 . . . . . 40 PHE CA . 51824 1 175 . 1 . 1 40 40 PHE CB C 13 38.368 0.3 . 1 . . . . . 40 PHE CB . 51824 1 176 . 1 . 1 40 40 PHE N N 15 120.632 0.3 . 1 . . . . . 40 PHE N . 51824 1 177 . 1 . 1 42 42 GLY H H 1 9.222 0.020 . 1 . . . . . 42 GLY H . 51824 1 178 . 1 . 1 42 42 GLY C C 13 171.617 0.3 . 1 . . . . . 42 GLY C . 51824 1 179 . 1 . 1 42 42 GLY CA C 13 40.740 0.3 . 1 . . . . . 42 GLY CA . 51824 1 180 . 1 . 1 42 42 GLY N N 15 112.274 0.3 . 1 . . . . . 42 GLY N . 51824 1 181 . 1 . 1 43 43 GLY H H 1 8.229 0.020 . 1 . . . . . 43 GLY H . 51824 1 182 . 1 . 1 43 43 GLY C C 13 172.939 0.3 . 1 . . . . . 43 GLY C . 51824 1 183 . 1 . 1 43 43 GLY CA C 13 43.264 0.3 . 1 . . . . . 43 GLY CA . 51824 1 184 . 1 . 1 43 43 GLY N N 15 107.159 0.3 . 1 . . . . . 43 GLY N . 51824 1 185 . 1 . 1 44 44 LEU H H 1 7.605 0.020 . 1 . . . . . 44 LEU H . 51824 1 186 . 1 . 1 44 44 LEU C C 13 175.879 0.3 . 1 . . . . . 44 LEU C . 51824 1 187 . 1 . 1 44 44 LEU CA C 13 51.042 0.3 . 1 . . . . . 44 LEU CA . 51824 1 188 . 1 . 1 44 44 LEU CB C 13 40.306 0.3 . 1 . . . . . 44 LEU CB . 51824 1 189 . 1 . 1 44 44 LEU N N 15 116.489 0.3 . 1 . . . . . 44 LEU N . 51824 1 190 . 1 . 1 45 45 SER H H 1 8.727 0.020 . 1 . . . . . 45 SER H . 51824 1 191 . 1 . 1 45 45 SER C C 13 174.179 0.3 . 1 . . . . . 45 SER C . 51824 1 192 . 1 . 1 45 45 SER CA C 13 54.606 0.3 . 1 . . . . . 45 SER CA . 51824 1 193 . 1 . 1 45 45 SER CB C 13 60.964 0.3 . 1 . . . . . 45 SER CB . 51824 1 194 . 1 . 1 45 45 SER N N 15 117.872 0.3 . 1 . . . . . 45 SER N . 51824 1 195 . 1 . 1 46 46 TRP H H 1 8.318 0.020 . 1 . . . . . 46 TRP H . 51824 1 196 . 1 . 1 46 46 TRP C C 13 174.314 0.3 . 1 . . . . . 46 TRP C . 51824 1 197 . 1 . 1 46 46 TRP CA C 13 56.165 0.3 . 1 . . . . . 46 TRP CA . 51824 1 198 . 1 . 1 46 46 TRP CB C 13 25.824 0.3 . 1 . . . . . 46 TRP CB . 51824 1 199 . 1 . 1 46 46 TRP N N 15 125.156 0.3 . 1 . . . . . 46 TRP N . 51824 1 200 . 1 . 1 47 47 GLY H H 1 7.974 0.020 . 1 . . . . . 47 GLY H . 51824 1 201 . 1 . 1 47 47 GLY C C 13 172.507 0.3 . 1 . . . . . 47 GLY C . 51824 1 202 . 1 . 1 47 47 GLY CA C 13 42.299 0.3 . 1 . . . . . 47 GLY CA . 51824 1 203 . 1 . 1 47 47 GLY N N 15 105.630 0.3 . 1 . . . . . 47 GLY N . 51824 1 204 . 1 . 1 48 48 VAL H H 1 7.885 0.020 . 1 . . . . . 48 VAL H . 51824 1 205 . 1 . 1 48 48 VAL C C 13 173.883 0.3 . 1 . . . . . 48 VAL C . 51824 1 206 . 1 . 1 48 48 VAL CA C 13 59.455 0.3 . 1 . . . . . 48 VAL CA . 51824 1 207 . 1 . 1 48 48 VAL CB C 13 29.392 0.3 . 1 . . . . . 48 VAL CB . 51824 1 208 . 1 . 1 48 48 VAL N N 15 119.278 0.3 . 1 . . . . . 48 VAL N . 51824 1 209 . 1 . 1 49 49 ASP H H 1 8.245 0.020 . 1 . . . . . 49 ASP H . 51824 1 210 . 1 . 1 49 49 ASP C C 13 175.717 0.3 . 1 . . . . . 49 ASP C . 51824 1 211 . 1 . 1 49 49 ASP CA C 13 55.187 0.3 . 1 . . . . . 49 ASP CA . 51824 1 212 . 1 . 1 49 49 ASP CB C 13 36.854 0.3 . 1 . . . . . 49 ASP CB . 51824 1 213 . 1 . 1 49 49 ASP N N 15 123.521 0.3 . 1 . . . . . 49 ASP N . 51824 1 214 . 1 . 1 50 50 ASP H H 1 8.249 0.020 . 1 . . . . . 50 ASP H . 51824 1 215 . 1 . 1 50 50 ASP C C 13 173.991 0.3 . 1 . . . . . 50 ASP C . 51824 1 216 . 1 . 1 50 50 ASP CA C 13 50.374 0.3 . 1 . . . . . 50 ASP CA . 51824 1 217 . 1 . 1 50 50 ASP CB C 13 36.097 0.3 . 1 . . . . . 50 ASP CB . 51824 1 218 . 1 . 1 50 50 ASP N N 15 121.233 0.3 . 1 . . . . . 50 ASP N . 51824 1 219 . 1 . 1 51 51 MET H H 1 8.288 0.020 . 1 . . . . . 51 MET H . 51824 1 220 . 1 . 1 51 51 MET C C 13 173.478 0.3 . 1 . . . . . 51 MET C . 51824 1 221 . 1 . 1 51 51 MET CA C 13 51.488 0.3 . 1 . . . . . 51 MET CA . 51824 1 222 . 1 . 1 51 51 MET CB C 13 38.457 0.3 . 1 . . . . . 51 MET CB . 51824 1 223 . 1 . 1 51 51 MET N N 15 120.744 0.3 . 1 . . . . . 51 MET N . 51824 1 224 . 1 . 1 52 52 LYS H H 1 8.083 0.020 . 1 . . . . . 52 LYS H . 51824 1 225 . 1 . 1 52 52 LYS C C 13 171.860 0.3 . 1 . . . . . 52 LYS C . 51824 1 226 . 1 . 1 52 52 LYS CA C 13 51.444 0.3 . 1 . . . . . 52 LYS CA . 51824 1 227 . 1 . 1 52 52 LYS CB C 13 27.446 0.3 . 1 . . . . . 52 LYS CB . 51824 1 228 . 1 . 1 52 52 LYS N N 15 121.298 0.3 . 1 . . . . . 52 LYS N . 51824 1 229 . 1 . 1 54 54 ARG H H 1 8.674 0.020 . 1 . . . . . 54 ARG H . 51824 1 230 . 1 . 1 54 54 ARG C C 13 174.152 0.3 . 1 . . . . . 54 ARG C . 51824 1 231 . 1 . 1 54 54 ARG CA C 13 60.063 0.3 . 1 . . . . . 54 ARG CA . 51824 1 232 . 1 . 1 54 54 ARG CB C 13 29.893 0.3 . 1 . . . . . 54 ARG CB . 51824 1 233 . 1 . 1 54 54 ARG N N 15 124.690 0.3 . 1 . . . . . 54 ARG N . 51824 1 234 . 1 . 1 55 55 GLU H H 1 8.350 0.020 . 1 . . . . . 55 GLU H . 51824 1 235 . 1 . 1 55 55 GLU C C 13 175.420 0.3 . 1 . . . . . 55 GLU C . 51824 1 236 . 1 . 1 55 55 GLU CA C 13 49.817 0.3 . 1 . . . . . 55 GLU CA . 51824 1 237 . 1 . 1 55 55 GLU CB C 13 29.392 0.3 . 1 . . . . . 55 GLU CB . 51824 1 238 . 1 . 1 55 55 GLU N N 15 127.406 0.3 . 1 . . . . . 55 GLU N . 51824 1 239 . 1 . 1 56 56 ALA H H 1 8.081 0.020 . 1 . . . . . 56 ALA H . 51824 1 240 . 1 . 1 56 56 ALA C C 13 173.370 0.3 . 1 . . . . . 56 ALA C . 51824 1 241 . 1 . 1 56 56 ALA CA C 13 55.002 0.3 . 1 . . . . . 56 ALA CA . 51824 1 242 . 1 . 1 56 56 ALA N N 15 118.820 0.3 . 1 . . . . . 56 ALA N . 51824 1 243 . 1 . 1 58 58 SER H H 1 8.111 0.020 . 1 . . . . . 58 SER H . 51824 1 244 . 1 . 1 58 58 SER C C 13 173.802 0.3 . 1 . . . . . 58 SER C . 51824 1 245 . 1 . 1 58 58 SER CA C 13 55.775 0.3 . 1 . . . . . 58 SER CA . 51824 1 246 . 1 . 1 58 58 SER CB C 13 60.861 0.3 . 1 . . . . . 58 SER CB . 51824 1 247 . 1 . 1 58 58 SER N N 15 116.189 0.3 . 1 . . . . . 58 SER N . 51824 1 248 . 1 . 1 59 59 GLY H H 1 8.664 0.020 . 1 . . . . . 59 GLY H . 51824 1 249 . 1 . 1 59 59 GLY C C 13 172.804 0.3 . 1 . . . . . 59 GLY C . 51824 1 250 . 1 . 1 59 59 GLY CA C 13 43.023 0.3 . 1 . . . . . 59 GLY CA . 51824 1 251 . 1 . 1 59 59 GLY N N 15 108.159 0.3 . 1 . . . . . 59 GLY N . 51824 1 252 . 1 . 1 60 60 PHE H H 1 7.462 0.020 . 1 . . . . . 60 PHE H . 51824 1 253 . 1 . 1 60 60 PHE C C 13 172.480 0.3 . 1 . . . . . 60 PHE C . 51824 1 254 . 1 . 1 60 60 PHE CA C 13 53.547 0.3 . 1 . . . . . 60 PHE CA . 51824 1 255 . 1 . 1 60 60 PHE CB C 13 39.017 0.3 . 1 . . . . . 60 PHE CB . 51824 1 256 . 1 . 1 60 60 PHE N N 15 112.520 0.3 . 1 . . . . . 60 PHE N . 51824 1 257 . 1 . 1 61 61 GLY H H 1 8.768 0.020 . 1 . . . . . 61 GLY H . 51824 1 258 . 1 . 1 61 61 GLY C C 13 167.463 0.3 . 1 . . . . . 61 GLY C . 51824 1 259 . 1 . 1 61 61 GLY CA C 13 42.689 0.3 . 1 . . . . . 61 GLY CA . 51824 1 260 . 1 . 1 61 61 GLY N N 15 106.413 0.3 . 1 . . . . . 61 GLY N . 51824 1 261 . 1 . 1 65 65 GLU H H 1 8.243 0.020 . 1 . . . . . 65 GLU H . 51824 1 262 . 1 . 1 65 65 GLU C C 13 171.968 0.3 . 1 . . . . . 65 GLU C . 51824 1 263 . 1 . 1 65 65 GLU CA C 13 58.006 0.3 . 1 . . . . . 65 GLU CA . 51824 1 264 . 1 . 1 65 65 GLU N N 15 117.685 0.3 . 1 . . . . . 65 GLU N . 51824 1 265 . 1 . 1 66 66 ALA H H 1 8.896 0.020 . 1 . . . . . 66 ALA H . 51824 1 266 . 1 . 1 66 66 ALA C C 13 174.719 0.3 . 1 . . . . . 66 ALA C . 51824 1 267 . 1 . 1 66 66 ALA CA C 13 49.734 0.3 . 1 . . . . . 66 ALA CA . 51824 1 268 . 1 . 1 66 66 ALA CB C 13 16.415 0.3 . 1 . . . . . 66 ALA CB . 51824 1 269 . 1 . 1 66 66 ALA N N 15 130.170 0.3 . 1 . . . . . 66 ALA N . 51824 1 270 . 1 . 1 67 67 ARG H H 1 7.984 0.020 . 1 . . . . . 67 ARG H . 51824 1 271 . 1 . 1 67 67 ARG C C 13 174.206 0.3 . 1 . . . . . 67 ARG C . 51824 1 272 . 1 . 1 67 67 ARG CA C 13 53.548 0.3 . 1 . . . . . 67 ARG CA . 51824 1 273 . 1 . 1 67 67 ARG CB C 13 27.685 0.3 . 1 . . . . . 67 ARG CB . 51824 1 274 . 1 . 1 67 67 ARG N N 15 119.043 0.3 . 1 . . . . . 67 ARG N . 51824 1 275 . 1 . 1 71 71 ASP H H 1 8.703 0.020 . 1 . . . . . 71 ASP H . 51824 1 276 . 1 . 1 71 71 ASP C C 13 172.615 0.3 . 1 . . . . . 71 ASP C . 51824 1 277 . 1 . 1 71 71 ASP CA C 13 51.265 0.3 . 1 . . . . . 71 ASP CA . 51824 1 278 . 1 . 1 71 71 ASP CB C 13 40.128 0.3 . 1 . . . . . 71 ASP CB . 51824 1 279 . 1 . 1 71 71 ASP N N 15 122.673 0.3 . 1 . . . . . 71 ASP N . 51824 1 280 . 1 . 1 72 72 ARG H H 1 8.995 0.020 . 1 . . . . . 72 ARG H . 51824 1 281 . 1 . 1 72 72 ARG C C 13 175.043 0.3 . 1 . . . . . 72 ARG C . 51824 1 282 . 1 . 1 72 72 ARG CA C 13 55.942 0.3 . 1 . . . . . 72 ARG CA . 51824 1 283 . 1 . 1 72 72 ARG CB C 13 27.326 0.3 . 1 . . . . . 72 ARG CB . 51824 1 284 . 1 . 1 72 72 ARG N N 15 127.950 0.3 . 1 . . . . . 72 ARG N . 51824 1 285 . 1 . 1 73 73 ASP H H 1 8.586 0.020 . 1 . . . . . 73 ASP H . 51824 1 286 . 1 . 1 73 73 ASP C C 13 175.744 0.3 . 1 . . . . . 73 ASP C . 51824 1 287 . 1 . 1 73 73 ASP CA C 13 53.882 0.3 . 1 . . . . . 73 ASP CA . 51824 1 288 . 1 . 1 73 73 ASP CB C 13 38.814 0.3 . 1 . . . . . 73 ASP CB . 51824 1 289 . 1 . 1 73 73 ASP N N 15 117.383 0.3 . 1 . . . . . 73 ASP N . 51824 1 290 . 1 . 1 74 74 THR H H 1 8.135 0.020 . 1 . . . . . 74 THR H . 51824 1 291 . 1 . 1 74 74 THR C C 13 174.530 0.3 . 1 . . . . . 74 THR C . 51824 1 292 . 1 . 1 74 74 THR CA C 13 59.117 0.3 . 1 . . . . . 74 THR CA . 51824 1 293 . 1 . 1 74 74 THR CB C 13 68.305 0.3 . 1 . . . . . 74 THR CB . 51824 1 294 . 1 . 1 74 74 THR N N 15 107.360 0.3 . 1 . . . . . 74 THR N . 51824 1 295 . 1 . 1 75 75 GLY H H 1 8.462 0.020 . 1 . . . . . 75 GLY H . 51824 1 296 . 1 . 1 75 75 GLY CA C 13 42.940 0.3 . 1 . . . . . 75 GLY CA . 51824 1 297 . 1 . 1 75 75 GLY N N 15 101.127 0.3 . 1 . . . . . 75 GLY N . 51824 1 298 . 1 . 1 76 76 LYS H H 1 7.884 0.020 . 1 . . . . . 76 LYS H . 51824 1 299 . 1 . 1 76 76 LYS C C 13 173.883 0.3 . 1 . . . . . 76 LYS C . 51824 1 300 . 1 . 1 76 76 LYS CA C 13 59.673 0.3 . 1 . . . . . 76 LYS CA . 51824 1 301 . 1 . 1 76 76 LYS CB C 13 30.041 0.3 . 1 . . . . . 76 LYS CB . 51824 1 302 . 1 . 1 76 76 LYS N N 15 118.669 0.3 . 1 . . . . . 76 LYS N . 51824 1 303 . 1 . 1 77 77 SER H H 1 8.300 0.020 . 1 . . . . . 77 SER H . 51824 1 304 . 1 . 1 77 77 SER C C 13 173.640 0.3 . 1 . . . . . 77 SER C . 51824 1 305 . 1 . 1 77 77 SER CA C 13 56.722 0.3 . 1 . . . . . 77 SER CA . 51824 1 306 . 1 . 1 77 77 SER CB C 13 60.969 0.3 . 1 . . . . . 77 SER CB . 51824 1 307 . 1 . 1 77 77 SER N N 15 116.518 0.3 . 1 . . . . . 77 SER N . 51824 1 308 . 1 . 1 78 78 ARG H H 1 9.097 0.020 . 1 . . . . . 78 ARG H . 51824 1 309 . 1 . 1 78 78 ARG C C 13 175.366 0.3 . 1 . . . . . 78 ARG C . 51824 1 310 . 1 . 1 78 78 ARG CA C 13 53.604 0.3 . 1 . . . . . 78 ARG CA . 51824 1 311 . 1 . 1 78 78 ARG CB C 13 27.770 0.3 . 1 . . . . . 78 ARG CB . 51824 1 312 . 1 . 1 78 78 ARG N N 15 124.141 0.3 . 1 . . . . . 78 ARG N . 51824 1 313 . 1 . 1 79 79 GLY H H 1 9.445 0.020 . 1 . . . . . 79 GLY H . 51824 1 314 . 1 . 1 79 79 GLY C C 13 170.322 0.3 . 1 . . . . . 79 GLY C . 51824 1 315 . 1 . 1 79 79 GLY CA C 13 43.135 0.3 . 1 . . . . . 79 GLY CA . 51824 1 316 . 1 . 1 79 79 GLY N N 15 107.778 0.3 . 1 . . . . . 79 GLY N . 51824 1 317 . 1 . 1 80 80 PHE H H 1 8.647 0.020 . 1 . . . . . 80 PHE H . 51824 1 318 . 1 . 1 80 80 PHE C C 13 172.399 0.3 . 1 . . . . . 80 PHE C . 51824 1 319 . 1 . 1 80 80 PHE CA C 13 51.993 0.3 . 1 . . . . . 80 PHE CA . 51824 1 320 . 1 . 1 80 80 PHE CB C 13 38.082 0.3 . 1 . . . . . 80 PHE CB . 51824 1 321 . 1 . 1 80 80 PHE N N 15 119.969 0.3 . 1 . . . . . 80 PHE N . 51824 1 322 . 1 . 1 81 81 GLY H H 1 8.367 0.020 . 1 . . . . . 81 GLY H . 51824 1 323 . 1 . 1 81 81 GLY C C 13 172.156 0.3 . 1 . . . . . 81 GLY C . 51824 1 324 . 1 . 1 81 81 GLY CA C 13 42.856 0.3 . 1 . . . . . 81 GLY CA . 51824 1 325 . 1 . 1 81 81 GLY N N 15 109.421 0.3 . 1 . . . . . 81 GLY N . 51824 1 326 . 1 . 1 83 83 VAL H H 1 7.966 0.020 . 1 . . . . . 83 VAL H . 51824 1 327 . 1 . 1 83 83 VAL C C 13 171.914 0.3 . 1 . . . . . 83 VAL C . 51824 1 328 . 1 . 1 83 83 VAL CA C 13 57.405 0.3 . 1 . . . . . 83 VAL CA . 51824 1 329 . 1 . 1 83 83 VAL CB C 13 27.536 0.3 . 1 . . . . . 83 VAL CB . 51824 1 330 . 1 . 1 83 83 VAL N N 15 126.402 0.3 . 1 . . . . . 83 VAL N . 51824 1 331 . 1 . 1 84 84 ASN H H 1 8.875 0.020 . 1 . . . . . 84 ASN H . 51824 1 332 . 1 . 1 84 84 ASN C C 13 171.455 0.3 . 1 . . . . . 84 ASN C . 51824 1 333 . 1 . 1 84 84 ASN CA C 13 49.316 0.3 . 1 . . . . . 84 ASN CA . 51824 1 334 . 1 . 1 84 84 ASN CB C 13 40.206 0.3 . 1 . . . . . 84 ASN CB . 51824 1 335 . 1 . 1 84 84 ASN N N 15 120.627 0.3 . 1 . . . . . 84 ASN N . 51824 1 336 . 1 . 1 85 85 TYR H H 1 8.849 0.020 . 1 . . . . . 85 TYR H . 51824 1 337 . 1 . 1 85 85 TYR C C 13 174.260 0.3 . 1 . . . . . 85 TYR C . 51824 1 338 . 1 . 1 85 85 TYR CA C 13 58.448 0.3 . 1 . . . . . 85 TYR CA . 51824 1 339 . 1 . 1 85 85 TYR CB C 13 45.829 0.3 . 1 . . . . . 85 TYR CB . 51824 1 340 . 1 . 1 85 85 TYR N N 15 121.950 0.3 . 1 . . . . . 85 TYR N . 51824 1 341 . 1 . 1 86 86 THR H H 1 9.049 0.020 . 1 . . . . . 86 THR H . 51824 1 342 . 1 . 1 86 86 THR C C 13 173.127 0.3 . 1 . . . . . 86 THR C . 51824 1 343 . 1 . 1 86 86 THR CA C 13 59.673 0.3 . 1 . . . . . 86 THR CA . 51824 1 344 . 1 . 1 86 86 THR CB C 13 65.257 0.3 . 1 . . . . . 86 THR CB . 51824 1 345 . 1 . 1 86 86 THR N N 15 120.772 0.3 . 1 . . . . . 86 THR N . 51824 1 346 . 1 . 1 89 89 ASP H H 1 8.313 0.020 . 1 . . . . . 89 ASP H . 51824 1 347 . 1 . 1 89 89 ASP C C 13 174.422 0.3 . 1 . . . . . 89 ASP C . 51824 1 348 . 1 . 1 89 89 ASP CA C 13 51.822 0.3 . 1 . . . . . 89 ASP CA . 51824 1 349 . 1 . 1 89 89 ASP CB C 13 38.260 0.3 . 1 . . . . . 89 ASP CB . 51824 1 350 . 1 . 1 89 89 ASP N N 15 122.569 0.3 . 1 . . . . . 89 ASP N . 51824 1 351 . 1 . 1 90 90 ALA H H 1 7.286 0.020 . 1 . . . . . 90 ALA H . 51824 1 352 . 1 . 1 90 90 ALA C C 13 175.474 0.3 . 1 . . . . . 90 ALA C . 51824 1 353 . 1 . 1 90 90 ALA CA C 13 51.933 0.3 . 1 . . . . . 90 ALA CA . 51824 1 354 . 1 . 1 90 90 ALA CB C 13 17.185 0.3 . 1 . . . . . 90 ALA CB . 51824 1 355 . 1 . 1 90 90 ALA N N 15 123.669 0.3 . 1 . . . . . 90 ALA N . 51824 1 356 . 1 . 1 91 91 ALA H H 1 6.741 0.020 . 1 . . . . . 91 ALA H . 51824 1 357 . 1 . 1 91 91 ALA C C 13 176.634 0.3 . 1 . . . . . 91 ALA C . 51824 1 358 . 1 . 1 91 91 ALA CA C 13 52.379 0.3 . 1 . . . . . 91 ALA CA . 51824 1 359 . 1 . 1 91 91 ALA CB C 13 14.583 0.3 . 1 . . . . . 91 ALA CB . 51824 1 360 . 1 . 1 91 91 ALA N N 15 118.188 0.3 . 1 . . . . . 91 ALA N . 51824 1 361 . 1 . 1 92 92 ASN H H 1 8.245 0.020 . 1 . . . . . 92 ASN H . 51824 1 362 . 1 . 1 92 92 ASN C C 13 172.939 0.3 . 1 . . . . . 92 ASN C . 51824 1 363 . 1 . 1 92 92 ASN CA C 13 52.880 0.3 . 1 . . . . . 92 ASN CA . 51824 1 364 . 1 . 1 92 92 ASN CB C 13 38.206 0.3 . 1 . . . . . 92 ASN CB . 51824 1 365 . 1 . 1 92 92 ASN N N 15 119.516 0.3 . 1 . . . . . 92 ASN N . 51824 1 366 . 1 . 1 93 93 ALA H H 1 7.867 0.020 . 1 . . . . . 93 ALA H . 51824 1 367 . 1 . 1 93 93 ALA C C 13 177.902 0.3 . 1 . . . . . 93 ALA C . 51824 1 368 . 1 . 1 93 93 ALA CA C 13 52.100 0.3 . 1 . . . . . 93 ALA CA . 51824 1 369 . 1 . 1 93 93 ALA CB C 13 15.031 0.3 . 1 . . . . . 93 ALA CB . 51824 1 370 . 1 . 1 93 93 ALA N N 15 123.713 0.3 . 1 . . . . . 93 ALA N . 51824 1 371 . 1 . 1 94 94 ALA H H 1 8.076 0.020 . 1 . . . . . 94 ALA H . 51824 1 372 . 1 . 1 94 94 ALA C C 13 177.254 0.3 . 1 . . . . . 94 ALA C . 51824 1 373 . 1 . 1 94 94 ALA CA C 13 51.397 0.3 . 1 . . . . . 94 ALA CA . 51824 1 374 . 1 . 1 94 94 ALA CB C 13 16.557 0.3 . 1 . . . . . 94 ALA CB . 51824 1 375 . 1 . 1 94 94 ALA N N 15 122.993 0.3 . 1 . . . . . 94 ALA N . 51824 1 376 . 1 . 1 95 95 ILE H H 1 7.818 0.020 . 1 . . . . . 95 ILE H . 51824 1 377 . 1 . 1 95 95 ILE C C 13 176.202 0.3 . 1 . . . . . 95 ILE C . 51824 1 378 . 1 . 1 95 95 ILE CA C 13 63.683 0.3 . 1 . . . . . 95 ILE CA . 51824 1 379 . 1 . 1 95 95 ILE CB C 13 35.314 0.3 . 1 . . . . . 95 ILE CB . 51824 1 380 . 1 . 1 95 95 ILE N N 15 118.468 0.3 . 1 . . . . . 95 ILE N . 51824 1 381 . 1 . 1 96 96 SER H H 1 9.148 0.020 . 1 . . . . . 96 SER H . 51824 1 382 . 1 . 1 96 96 SER C C 13 172.480 0.3 . 1 . . . . . 96 SER C . 51824 1 383 . 1 . 1 96 96 SER CA C 13 58.059 0.3 . 1 . . . . . 96 SER CA . 51824 1 384 . 1 . 1 96 96 SER CB C 13 59.814 0.3 . 1 . . . . . 96 SER CB . 51824 1 385 . 1 . 1 96 96 SER N N 15 121.257 0.3 . 1 . . . . . 96 SER N . 51824 1 386 . 1 . 1 97 97 GLY H H 1 8.156 0.020 . 1 . . . . . 97 GLY H . 51824 1 387 . 1 . 1 97 97 GLY C C 13 172.588 0.3 . 1 . . . . . 97 GLY C . 51824 1 388 . 1 . 1 97 97 GLY CA C 13 43.357 0.3 . 1 . . . . . 97 GLY CA . 51824 1 389 . 1 . 1 97 97 GLY N N 15 106.016 0.3 . 1 . . . . . 97 GLY N . 51824 1 390 . 1 . 1 98 98 MET H H 1 7.976 0.020 . 1 . . . . . 98 MET H . 51824 1 391 . 1 . 1 98 98 MET C C 13 174.800 0.3 . 1 . . . . . 98 MET C . 51824 1 392 . 1 . 1 98 98 MET CA C 13 50.597 0.3 . 1 . . . . . 98 MET CA . 51824 1 393 . 1 . 1 98 98 MET CB C 13 30.257 0.3 . 1 . . . . . 98 MET CB . 51824 1 394 . 1 . 1 98 98 MET N N 15 115.621 0.3 . 1 . . . . . 98 MET N . 51824 1 395 . 1 . 1 99 99 ASP H H 1 6.865 0.020 . 1 . . . . . 99 ASP H . 51824 1 396 . 1 . 1 99 99 ASP C C 13 172.399 0.3 . 1 . . . . . 99 ASP C . 51824 1 397 . 1 . 1 99 99 ASP CA C 13 56.435 0.3 . 1 . . . . . 99 ASP CA . 51824 1 398 . 1 . 1 99 99 ASP CB C 13 36.929 0.3 . 1 . . . . . 99 ASP CB . 51824 1 399 . 1 . 1 99 99 ASP N N 15 114.129 0.3 . 1 . . . . . 99 ASP N . 51824 1 400 . 1 . 1 100 100 GLY H H 1 7.407 0.020 . 1 . . . . . 100 GLY H . 51824 1 401 . 1 . 1 100 100 GLY C C 13 168.488 0.3 . 1 . . . . . 100 GLY C . 51824 1 402 . 1 . 1 100 100 GLY CA C 13 42.351 0.3 . 1 . . . . . 100 GLY CA . 51824 1 403 . 1 . 1 100 100 GLY N N 15 104.097 0.3 . 1 . . . . . 100 GLY N . 51824 1 404 . 1 . 1 101 101 LYS H H 1 7.304 0.020 . 1 . . . . . 101 LYS H . 51824 1 405 . 1 . 1 101 101 LYS C C 13 171.887 0.3 . 1 . . . . . 101 LYS C . 51824 1 406 . 1 . 1 101 101 LYS CA C 13 61.957 0.3 . 1 . . . . . 101 LYS CA . 51824 1 407 . 1 . 1 101 101 LYS CB C 13 27.986 0.3 . 1 . . . . . 101 LYS CB . 51824 1 408 . 1 . 1 101 101 LYS N N 15 120.896 0.3 . 1 . . . . . 101 LYS N . 51824 1 409 . 1 . 1 104 104 ASP H H 1 7.926 0.020 . 1 . . . . . 104 ASP H . 51824 1 410 . 1 . 1 104 104 ASP C C 13 174.368 0.3 . 1 . . . . . 104 ASP C . 51824 1 411 . 1 . 1 104 104 ASP CA C 13 55.720 0.3 . 1 . . . . . 104 ASP CA . 51824 1 412 . 1 . 1 104 104 ASP CB C 13 39.083 0.3 . 1 . . . . . 104 ASP CB . 51824 1 413 . 1 . 1 104 104 ASP N N 15 118.955 0.3 . 1 . . . . . 104 ASP N . 51824 1 414 . 1 . 1 105 105 GLY H H 1 8.980 0.020 . 1 . . . . . 105 GLY H . 51824 1 415 . 1 . 1 105 105 GLY C C 13 171.887 0.3 . 1 . . . . . 105 GLY C . 51824 1 416 . 1 . 1 105 105 GLY CA C 13 43.302 0.3 . 1 . . . . . 105 GLY CA . 51824 1 417 . 1 . 1 105 105 GLY N N 15 116.365 0.3 . 1 . . . . . 105 GLY N . 51824 1 418 . 1 . 1 106 106 ARG H H 1 7.733 0.020 . 1 . . . . . 106 ARG H . 51824 1 419 . 1 . 1 106 106 ARG C C 13 174.314 0.3 . 1 . . . . . 106 ARG C . 51824 1 420 . 1 . 1 106 106 ARG CA C 13 53.047 0.3 . 1 . . . . . 106 ARG CA . 51824 1 421 . 1 . 1 106 106 ARG CB C 13 30.762 0.3 . 1 . . . . . 106 ARG CB . 51824 1 422 . 1 . 1 106 106 ARG N N 15 119.336 0.3 . 1 . . . . . 106 ARG N . 51824 1 423 . 1 . 1 108 108 VAL H H 1 8.241 0.020 . 1 . . . . . 108 VAL H . 51824 1 424 . 1 . 1 108 108 VAL C C 13 172.966 0.3 . 1 . . . . . 108 VAL C . 51824 1 425 . 1 . 1 108 108 VAL CA C 13 51.543 0.3 . 1 . . . . . 108 VAL CA . 51824 1 426 . 1 . 1 108 108 VAL CB C 13 30.149 0.3 . 1 . . . . . 108 VAL CB . 51824 1 427 . 1 . 1 108 108 VAL N N 15 120.292 0.3 . 1 . . . . . 108 VAL N . 51824 1 428 . 1 . 1 109 109 ARG H H 1 8.273 0.020 . 1 . . . . . 109 ARG H . 51824 1 429 . 1 . 1 109 109 ARG C C 13 175.339 0.3 . 1 . . . . . 109 ARG C . 51824 1 430 . 1 . 1 109 109 ARG CA C 13 53.708 0.3 . 1 . . . . . 109 ARG CA . 51824 1 431 . 1 . 1 109 109 ARG CB C 13 36.097 0.3 . 1 . . . . . 109 ARG CB . 51824 1 432 . 1 . 1 109 109 ARG N N 15 117.867 0.3 . 1 . . . . . 109 ARG N . 51824 1 433 . 1 . 1 110 110 VAL H H 1 8.192 0.020 . 1 . . . . . 110 VAL H . 51824 1 434 . 1 . 1 110 110 VAL C C 13 173.424 0.3 . 1 . . . . . 110 VAL C . 51824 1 435 . 1 . 1 110 110 VAL CA C 13 50.420 0.3 . 1 . . . . . 110 VAL CA . 51824 1 436 . 1 . 1 110 110 VAL CB C 13 29.974 0.3 . 1 . . . . . 110 VAL CB . 51824 1 437 . 1 . 1 110 110 VAL N N 15 121.750 0.3 . 1 . . . . . 110 VAL N . 51824 1 438 . 1 . 1 111 111 ASN H H 1 8.152 0.020 . 1 . . . . . 111 ASN H . 51824 1 439 . 1 . 1 111 111 ASN C C 13 175.960 0.3 . 1 . . . . . 111 ASN C . 51824 1 440 . 1 . 1 111 111 ASN CA C 13 52.991 0.3 . 1 . . . . . 111 ASN CA . 51824 1 441 . 1 . 1 111 111 ASN CB C 13 39.292 0.3 . 1 . . . . . 111 ASN CB . 51824 1 442 . 1 . 1 111 111 ASN N N 15 121.972 0.3 . 1 . . . . . 111 ASN N . 51824 1 443 . 1 . 1 112 112 ILE H H 1 8.103 0.020 . 1 . . . . . 112 ILE H . 51824 1 444 . 1 . 1 112 112 ILE C C 13 171.860 0.3 . 1 . . . . . 112 ILE C . 51824 1 445 . 1 . 1 112 112 ILE CA C 13 53.570 0.3 . 1 . . . . . 112 ILE CA . 51824 1 446 . 1 . 1 112 112 ILE CB C 13 27.554 0.3 . 1 . . . . . 112 ILE CB . 51824 1 447 . 1 . 1 112 112 ILE N N 15 120.954 0.3 . 1 . . . . . 112 ILE N . 51824 1 448 . 1 . 1 113 113 ALA H H 1 7.360 0.020 . 1 . . . . . 113 ALA H . 51824 1 449 . 1 . 1 113 113 ALA C C 13 173.424 0.3 . 1 . . . . . 113 ALA C . 51824 1 450 . 1 . 1 113 113 ALA CA C 13 48.856 0.3 . 1 . . . . . 113 ALA CA . 51824 1 451 . 1 . 1 113 113 ALA N N 15 129.047 0.3 . 1 . . . . . 113 ALA N . 51824 1 452 . 1 . 1 114 114 ASN H H 1 8.048 0.020 . 1 . . . . . 114 ASN H . 51824 1 453 . 1 . 1 114 114 ASN C C 13 175.204 0.3 . 1 . . . . . 114 ASN C . 51824 1 454 . 1 . 1 114 114 ASN CA C 13 50.587 0.3 . 1 . . . . . 114 ASN CA . 51824 1 455 . 1 . 1 114 114 ASN CB C 13 39.449 0.3 . 1 . . . . . 114 ASN CB . 51824 1 456 . 1 . 1 114 114 ASN N N 15 121.854 0.3 . 1 . . . . . 114 ASN N . 51824 1 457 . 1 . 1 115 115 ASP H H 1 9.121 0.020 . 1 . . . . . 115 ASP H . 51824 1 458 . 1 . 1 115 115 ASP C C 13 172.022 0.3 . 1 . . . . . 115 ASP C . 51824 1 459 . 1 . 1 115 115 ASP CA C 13 57.724 0.3 . 1 . . . . . 115 ASP CA . 51824 1 460 . 1 . 1 115 115 ASP CB C 13 27.554 0.3 . 1 . . . . . 115 ASP CB . 51824 1 461 . 1 . 1 115 115 ASP N N 15 123.825 0.3 . 1 . . . . . 115 ASP N . 51824 1 462 . 1 . 1 116 116 ARG H H 1 8.479 0.020 . 1 . . . . . 116 ARG H . 51824 1 463 . 1 . 1 116 116 ARG C C 13 177.254 0.3 . 1 . . . . . 116 ARG C . 51824 1 464 . 1 . 1 116 116 ARG CA C 13 56.945 0.3 . 1 . . . . . 116 ARG CA . 51824 1 465 . 1 . 1 116 116 ARG CB C 13 26.797 0.3 . 1 . . . . . 116 ARG CB . 51824 1 466 . 1 . 1 116 116 ARG N N 15 118.886 0.3 . 1 . . . . . 116 ARG N . 51824 1 467 . 1 . 1 118 118 ALA H H 1 8.452 0.020 . 1 . . . . . 118 ALA H . 51824 1 468 . 1 . 1 118 118 ALA C C 13 174.989 0.3 . 1 . . . . . 118 ALA C . 51824 1 469 . 1 . 1 118 118 ALA CA C 13 49.817 0.3 . 1 . . . . . 118 ALA CA . 51824 1 470 . 1 . 1 118 118 ALA CB C 13 16.524 0.3 . 1 . . . . . 118 ALA CB . 51824 1 471 . 1 . 1 118 118 ALA N N 15 126.372 0.3 . 1 . . . . . 118 ALA N . 51824 1 472 . 1 . 1 119 119 GLY H H 1 8.351 0.020 . 1 . . . . . 119 GLY H . 51824 1 473 . 1 . 1 119 119 GLY C C 13 172.156 0.3 . 1 . . . . . 119 GLY C . 51824 1 474 . 1 . 1 119 119 GLY CA C 13 42.745 0.3 . 1 . . . . . 119 GLY CA . 51824 1 475 . 1 . 1 119 119 GLY N N 15 107.749 0.3 . 1 . . . . . 119 GLY N . 51824 1 476 . 1 . 1 120 120 ASN H H 1 7.964 0.020 . 1 . . . . . 120 ASN H . 51824 1 477 . 1 . 1 120 120 ASN C C 13 175.258 0.3 . 1 . . . . . 120 ASN C . 51824 1 478 . 1 . 1 120 120 ASN CA C 13 52.507 0.3 . 1 . . . . . 120 ASN CA . 51824 1 479 . 1 . 1 120 120 ASN CB C 13 39.449 0.3 . 1 . . . . . 120 ASN CB . 51824 1 480 . 1 . 1 120 120 ASN N N 15 121.121 0.3 . 1 . . . . . 120 ASN N . 51824 1 481 . 1 . 1 121 121 ALA H H 1 8.055 0.020 . 1 . . . . . 121 ALA H . 51824 1 482 . 1 . 1 121 121 ALA C C 13 176.067 0.3 . 1 . . . . . 121 ALA C . 51824 1 483 . 1 . 1 121 121 ALA CA C 13 55.562 0.3 . 1 . . . . . 121 ALA CA . 51824 1 484 . 1 . 1 121 121 ALA N N 15 118.620 0.3 . 1 . . . . . 121 ALA N . 51824 1 stop_ save_