################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27221 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27221 1 2 '3D HNCACB' . . . 27221 1 3 '3D CBCA(CO)NH' . . . 27221 1 4 '3D CC(CO)NH' . . . 27221 1 5 '3D HN(CO)CA' . . . 27221 1 6 '3D HNCO' . . . 27221 1 7 '15N-edited TOCSY HSQC' . . . 27221 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 $TOPSPIN . . 27221 1 2 $xwinnmr . . 27221 1 3 $CARA . . 27221 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 LEU H H 1 8.430 0.020 . 1 . . . . . 3 LEU H . 27221 1 2 . 1 1 3 3 LEU C C 13 175.276 0.400 . 1 . . . . . 3 LEU C . 27221 1 3 . 1 1 3 3 LEU CA C 13 52.738 0.400 . 1 . . . . . 3 LEU CA . 27221 1 4 . 1 1 3 3 LEU CB C 13 39.725 0.400 . 1 . . . . . 3 LEU CB . 27221 1 5 . 1 1 3 3 LEU N N 15 122.346 0.400 . 1 . . . . . 3 LEU N . 27221 1 6 . 1 1 4 4 GLY H H 1 8.339 0.020 . 1 . . . . . 4 GLY H . 27221 1 7 . 1 1 4 4 GLY C C 13 171.562 0.400 . 1 . . . . . 4 GLY C . 27221 1 8 . 1 1 4 4 GLY CA C 13 42.667 0.400 . 1 . . . . . 4 GLY CA . 27221 1 9 . 1 1 4 4 GLY N N 15 109.801 0.400 . 1 . . . . . 4 GLY N . 27221 1 10 . 1 1 5 5 SER H H 1 8.109 0.020 . 1 . . . . . 5 SER H . 27221 1 11 . 1 1 5 5 SER CA C 13 55.787 0.400 . 1 . . . . . 5 SER CA . 27221 1 12 . 1 1 5 5 SER CB C 13 61.390 0.400 . 1 . . . . . 5 SER CB . 27221 1 13 . 1 1 5 5 SER N N 15 115.490 0.400 . 1 . . . . . 5 SER N . 27221 1 14 . 1 1 6 6 ALA H H 1 8.195 0.020 . 1 . . . . . 421 ALA H . 27221 1 15 . 1 1 6 6 ALA C C 13 174.000 0.400 . 1 . . . . . 421 ALA C . 27221 1 16 . 1 1 6 6 ALA CA C 13 49.759 0.400 . 1 . . . . . 421 ALA CA . 27221 1 17 . 1 1 6 6 ALA CB C 13 16.354 0.400 . 1 . . . . . 421 ALA CB . 27221 1 18 . 1 1 6 6 ALA N N 15 125.393 0.400 . 1 . . . . . 421 ALA N . 27221 1 19 . 1 1 7 7 TYR H H 1 7.921 0.020 . 1 . . . . . 422 TYR H . 27221 1 20 . 1 1 7 7 TYR C C 13 171.794 0.400 . 1 . . . . . 422 TYR C . 27221 1 21 . 1 1 7 7 TYR CA C 13 55.149 0.400 . 1 . . . . . 422 TYR CA . 27221 1 22 . 1 1 7 7 TYR CB C 13 36.425 0.400 . 1 . . . . . 422 TYR CB . 27221 1 23 . 1 1 7 7 TYR N N 15 119.553 0.400 . 1 . . . . . 422 TYR N . 27221 1 24 . 1 1 8 8 TYR H H 1 7.718 0.020 . 1 . . . . . 423 TYR H . 27221 1 25 . 1 1 8 8 TYR C C 13 169.821 0.400 . 1 . . . . . 423 TYR C . 27221 1 26 . 1 1 8 8 TYR CA C 13 52.241 0.400 . 1 . . . . . 423 TYR CA . 27221 1 27 . 1 1 8 8 TYR CB C 13 37.773 0.400 . 1 . . . . . 423 TYR CB . 27221 1 28 . 1 1 8 8 TYR N N 15 124.682 0.400 . 1 . . . . . 423 TYR N . 27221 1 29 . 1 1 11 11 SER H H 1 8.231 0.020 . 1 . . . . . 426 SER H . 27221 1 30 . 1 1 11 11 SER CA C 13 55.787 0.400 . 1 . . . . . 426 SER CA . 27221 1 31 . 1 1 11 11 SER CB C 13 61.319 0.400 . 1 . . . . . 426 SER CB . 27221 1 32 . 1 1 11 11 SER N N 15 115.098 0.400 . 1 . . . . . 426 SER N . 27221 1 33 . 1 1 12 12 GLN H H 1 8.300 0.020 . 1 . . . . . 427 GLN H . 27221 1 34 . 1 1 12 12 GLN C C 13 173.380 0.400 . 1 . . . . . 427 GLN C . 27221 1 35 . 1 1 12 12 GLN CA C 13 53.234 0.400 . 1 . . . . . 427 GLN CA . 27221 1 36 . 1 1 12 12 GLN CB C 13 26.851 0.400 . 1 . . . . . 427 GLN CB . 27221 1 37 . 1 1 12 12 GLN N N 15 121.883 0.400 . 1 . . . . . 427 GLN N . 27221 1 38 . 1 1 13 13 ILE H H 1 7.921 0.020 . 1 . . . . . 428 ILE H . 27221 1 39 . 1 1 13 13 ILE C C 13 173.458 0.400 . 1 . . . . . 428 ILE C . 27221 1 40 . 1 1 13 13 ILE CA C 13 58.908 0.400 . 1 . . . . . 428 ILE CA . 27221 1 41 . 1 1 13 13 ILE CB C 13 35.929 0.400 . 1 . . . . . 428 ILE CB . 27221 1 42 . 1 1 13 13 ILE N N 15 120.975 0.400 . 1 . . . . . 428 ILE N . 27221 1 43 . 1 1 14 14 ALA H H 1 8.195 0.020 . 1 . . . . . 429 ALA H . 27221 1 44 . 1 1 14 14 ALA C C 13 174.915 0.400 . 1 . . . . . 429 ALA C . 27221 1 45 . 1 1 14 14 ALA CA C 13 50.114 0.400 . 1 . . . . . 429 ALA CA . 27221 1 46 . 1 1 14 14 ALA CB C 13 16.213 0.400 . 1 . . . . . 429 ALA CB . 27221 1 47 . 1 1 14 14 ALA N N 15 126.968 0.400 . 1 . . . . . 429 ALA N . 27221 1 48 . 1 1 15 15 GLN H H 1 8.104 0.020 . 1 . . . . . 430 GLN H . 27221 1 49 . 1 1 15 15 GLN C C 13 173.110 0.400 . 1 . . . . . 430 GLN C . 27221 1 50 . 1 1 15 15 GLN CA C 13 53.163 0.400 . 1 . . . . . 430 GLN CA . 27221 1 51 . 1 1 15 15 GLN CB C 13 26.709 0.400 . 1 . . . . . 430 GLN CB . 27221 1 52 . 1 1 15 15 GLN N N 15 118.740 0.400 . 1 . . . . . 430 GLN N . 27221 1 53 . 1 1 16 16 LEU H H 1 8.082 0.020 . 1 . . . . . 431 LEU H . 27221 1 54 . 1 1 16 16 LEU C C 13 174.257 0.400 . 1 . . . . . 431 LEU C . 27221 1 55 . 1 1 16 16 LEU CA C 13 52.738 0.400 . 1 . . . . . 431 LEU CA . 27221 1 56 . 1 1 16 16 LEU CB C 13 39.725 0.400 . 1 . . . . . 431 LEU CB . 27221 1 57 . 1 1 16 16 LEU N N 15 123.057 0.400 . 1 . . . . . 431 LEU N . 27221 1 58 . 1 1 17 17 ARG H H 1 8.184 0.020 . 1 . . . . . 432 ARG H . 27221 1 59 . 1 1 17 17 ARG C C 13 171.227 0.400 . 1 . . . . . 432 ARG C . 27221 1 60 . 1 1 17 17 ARG CA C 13 51.036 0.400 . 1 . . . . . 432 ARG CA . 27221 1 61 . 1 1 17 17 ARG CB C 13 27.418 0.400 . 1 . . . . . 432 ARG CB . 27221 1 62 . 1 1 17 17 ARG N N 15 122.549 0.400 . 1 . . . . . 432 ARG N . 27221 1 63 . 1 1 19 19 SER H H 1 8.280 0.020 . 1 . . . . . 434 SER H . 27221 1 64 . 1 1 19 19 SER C C 13 170.247 0.400 . 1 . . . . . 434 SER C . 27221 1 65 . 1 1 19 19 SER CA C 13 53.802 0.400 . 1 . . . . . 434 SER CA . 27221 1 66 . 1 1 19 19 SER CB C 13 60.877 0.400 . 1 . . . . . 434 SER CB . 27221 1 67 . 1 1 19 19 SER N N 15 117.572 0.400 . 1 . . . . . 434 SER N . 27221 1 68 . 1 1 21 21 ARG H H 1 8.195 0.020 . 1 . . . . . 436 ARG H . 27221 1 69 . 1 1 21 21 ARG C C 13 173.406 0.400 . 1 . . . . . 436 ARG C . 27221 1 70 . 1 1 21 21 ARG CA C 13 53.802 0.400 . 1 . . . . . 436 ARG CA . 27221 1 71 . 1 1 21 21 ARG CB C 13 27.844 0.400 . 1 . . . . . 436 ARG CB . 27221 1 72 . 1 1 21 21 ARG N N 15 120.365 0.400 . 1 . . . . . 436 ARG N . 27221 1 73 . 1 1 22 22 TRP H H 1 7.996 0.020 . 1 . . . . . 437 TRP H . 27221 1 74 . 1 1 22 22 TRP C C 13 173.587 0.400 . 1 . . . . . 437 TRP C . 27221 1 75 . 1 1 22 22 TRP CA C 13 54.724 0.400 . 1 . . . . . 437 TRP CA . 27221 1 76 . 1 1 22 22 TRP CB C 13 26.993 0.400 . 1 . . . . . 437 TRP CB . 27221 1 77 . 1 1 22 22 TRP N N 15 121.533 0.400 . 1 . . . . . 437 TRP N . 27221 1 78 . 1 1 23 23 THR H H 1 7.739 0.020 . 1 . . . . . 438 THR H . 27221 1 79 . 1 1 23 23 THR C C 13 171.098 0.400 . 1 . . . . . 438 THR C . 27221 1 80 . 1 1 23 23 THR CA C 13 58.837 0.400 . 1 . . . . . 438 THR CA . 27221 1 81 . 1 1 23 23 THR CB C 13 67.561 0.400 . 1 . . . . . 438 THR CB . 27221 1 82 . 1 1 23 23 THR N N 15 115.693 0.400 . 1 . . . . . 438 THR N . 27221 1 83 . 1 1 24 24 ALA H H 1 8.013 0.020 . 1 . . . . . 439 ALA H . 27221 1 84 . 1 1 24 24 ALA C C 13 175.083 0.400 . 1 . . . . . 439 ALA C . 27221 1 85 . 1 1 24 24 ALA CA C 13 49.972 0.400 . 1 . . . . . 439 ALA CA . 27221 1 86 . 1 1 24 24 ALA CB C 13 16.071 0.400 . 1 . . . . . 439 ALA CB . 27221 1 87 . 1 1 24 24 ALA N N 15 125.647 0.400 . 1 . . . . . 439 ALA N . 27221 1 88 . 1 1 25 25 GLN H H 1 8.200 0.020 . 1 . . . . . 440 GLN H . 27221 1 89 . 1 1 25 25 GLN C C 13 173.896 0.400 . 1 . . . . . 440 GLN C . 27221 1 90 . 1 1 25 25 GLN CA C 13 53.589 0.400 . 1 . . . . . 440 GLN CA . 27221 1 91 . 1 1 25 25 GLN CB C 13 26.567 0.400 . 1 . . . . . 440 GLN CB . 27221 1 92 . 1 1 25 25 GLN N N 15 118.994 0.400 . 1 . . . . . 440 GLN N . 27221 1 93 . 1 1 26 26 GLY H H 1 8.243 0.020 . 1 . . . . . 441 GLY H . 27221 1 94 . 1 1 26 26 GLY C C 13 170.917 0.400 . 1 . . . . . 441 GLY C . 27221 1 95 . 1 1 26 26 GLY CA C 13 42.454 0.400 . 1 . . . . . 441 GLY CA . 27221 1 96 . 1 1 26 26 GLY N N 15 109.801 0.400 . 1 . . . . . 441 GLY N . 27221 1 97 . 1 1 27 27 ALA H H 1 8.013 0.020 . 1 . . . . . 442 ALA H . 27221 1 98 . 1 1 27 27 ALA C C 13 174.748 0.400 . 1 . . . . . 442 ALA C . 27221 1 99 . 1 1 27 27 ALA CA C 13 49.617 0.400 . 1 . . . . . 442 ALA CA . 27221 1 100 . 1 1 27 27 ALA CB C 13 16.496 0.400 . 1 . . . . . 442 ALA CB . 27221 1 101 . 1 1 27 27 ALA N N 15 123.412 0.400 . 1 . . . . . 442 ALA N . 27221 1 102 . 1 1 28 28 ARG H H 1 8.162 0.020 . 1 . . . . . 443 ARG H . 27221 1 103 . 1 1 28 28 ARG C C 13 171.498 0.400 . 1 . . . . . 443 ARG C . 27221 1 104 . 1 1 28 28 ARG CA C 13 51.036 0.400 . 1 . . . . . 443 ARG CA . 27221 1 105 . 1 1 28 28 ARG CB C 13 27.418 0.400 . 1 . . . . . 443 ARG CB . 27221 1 106 . 1 1 28 28 ARG N N 15 121.178 0.400 . 1 . . . . . 443 ARG N . 27221 1 107 . 1 1 30 30 HIS H H 1 8.336 0.020 . 1 . . . . . 445 HIS H . 27221 1 108 . 1 1 30 30 HIS C C 13 170.569 0.400 . 1 . . . . . 445 HIS C . 27221 1 109 . 1 1 30 30 HIS N N 15 119.720 0.400 . 1 . . . . . 445 HIS N . 27221 1 110 . 1 1 32 32 PHE H H 1 8.344 0.020 . 1 . . . . . 447 PHE H . 27221 1 111 . 1 1 32 32 PHE C C 13 172.955 0.400 . 1 . . . . . 447 PHE C . 27221 1 112 . 1 1 32 32 PHE CA C 13 55.007 0.400 . 1 . . . . . 447 PHE CA . 27221 1 113 . 1 1 32 32 PHE CB C 13 36.355 0.400 . 1 . . . . . 447 PHE CB . 27221 1 114 . 1 1 32 32 PHE N N 15 8.344 0.400 . 1 . . . . . 447 PHE N . 27221 1 115 . 1 1 33 33 GLN H H 1 8.109 0.020 . 1 . . . . . 448 GLN H . 27221 1 116 . 1 1 33 33 GLN C C 13 172.387 0.400 . 1 . . . . . 448 GLN C . 27221 1 117 . 1 1 33 33 GLN CA C 13 53.163 0.400 . 1 . . . . . 448 GLN CA . 27221 1 118 . 1 1 33 33 GLN CB C 13 26.993 0.400 . 1 . . . . . 448 GLN CB . 27221 1 119 . 1 1 33 33 GLN N N 15 121.482 0.400 . 1 . . . . . 448 GLN N . 27221 1 120 . 1 1 34 34 ASN H H 1 8.337 0.020 . 1 . . . . . 449 ASN H . 27221 1 121 . 1 1 34 34 ASN C C 13 171.936 0.400 . 1 . . . . . 449 ASN C . 27221 1 122 . 1 1 34 34 ASN CA C 13 51.036 0.400 . 1 . . . . . 449 ASN CA . 27221 1 123 . 1 1 34 34 ASN CB C 13 36.355 0.400 . 1 . . . . . 449 ASN CB . 27221 1 124 . 1 1 34 34 ASN N N 15 119.664 0.400 . 1 . . . . . 449 ASN N . 27221 1 125 . 1 1 35 35 MET H H 1 8.168 0.020 . 1 . . . . . 450 MET H . 27221 1 126 . 1 1 35 35 MET C C 13 171.394 0.400 . 1 . . . . . 450 MET C . 27221 1 127 . 1 1 35 35 MET CA C 13 50.681 0.400 . 1 . . . . . 450 MET CA . 27221 1 128 . 1 1 35 35 MET CB C 13 29.688 0.400 . 1 . . . . . 450 MET CB . 27221 1 129 . 1 1 35 35 MET N N 15 121.533 0.400 . 1 . . . . . 450 MET N . 27221 1 130 . 1 1 37 37 GLY H H 1 8.425 0.020 . 1 . . . . . 452 GLY H . 27221 1 131 . 1 1 37 37 GLY C C 13 171.124 0.400 . 1 . . . . . 452 GLY C . 27221 1 132 . 1 1 37 37 GLY CA C 13 42.525 0.400 . 1 . . . . . 452 GLY CA . 27221 1 133 . 1 1 37 37 GLY N N 15 109.446 0.400 . 1 . . . . . 452 GLY N . 27221 1 134 . 1 1 38 38 ALA H H 1 7.938 0.020 . 1 . . . . . 453 ALA H . 27221 1 135 . 1 1 38 38 ALA C C 13 174.864 0.400 . 1 . . . . . 453 ALA C . 27221 1 136 . 1 1 38 38 ALA CA C 13 49.688 0.400 . 1 . . . . . 453 ALA CA . 27221 1 137 . 1 1 38 38 ALA CB C 13 16.638 0.400 . 1 . . . . . 453 ALA CB . 27221 1 138 . 1 1 38 38 ALA N N 15 123.260 0.400 . 1 . . . . . 453 ALA N . 27221 1 139 . 1 1 39 39 ILE H H 1 8.055 0.020 . 1 . . . . . 454 ILE H . 27221 1 140 . 1 1 39 39 ILE C C 13 173.316 0.400 . 1 . . . . . 454 ILE C . 27221 1 141 . 1 1 39 39 ILE CA C 13 58.336 0.400 . 1 . . . . . 454 ILE CA . 27221 1 142 . 1 1 39 39 ILE CB C 13 35.858 0.400 . 1 . . . . . 454 ILE CB . 27221 1 143 . 1 1 39 39 ILE N N 15 120.162 0.400 . 1 . . . . . 454 ILE N . 27221 1 144 . 1 1 40 40 ARG H H 1 8.323 0.020 . 1 . . . . . 455 ARG H . 27221 1 145 . 1 1 40 40 ARG C C 13 171.227 0.400 . 1 . . . . . 455 ARG C . 27221 1 146 . 1 1 40 40 ARG CA C 13 51.036 0.400 . 1 . . . . . 455 ARG CA . 27221 1 147 . 1 1 40 40 ARG CB C 13 27.418 0.400 . 1 . . . . . 455 ARG CB . 27221 1 148 . 1 1 40 40 ARG N N 15 126.663 0.400 . 1 . . . . . 455 ARG N . 27221 1 149 . 1 1 42 42 ALA H H 1 8.296 0.020 . 1 . . . . . 457 ALA H . 27221 1 150 . 1 1 42 42 ALA C C 13 174.348 0.400 . 1 . . . . . 457 ALA C . 27221 1 151 . 1 1 42 42 ALA CA C 13 49.475 0.400 . 1 . . . . . 457 ALA CA . 27221 1 152 . 1 1 42 42 ALA CB C 13 16.496 0.400 . 1 . . . . . 457 ALA CB . 27221 1 153 . 1 1 42 42 ALA N N 15 124.479 0.400 . 1 . . . . . 457 ALA N . 27221 1 154 . 1 1 43 43 ALA H H 1 8.162 0.020 . 1 . . . . . 458 ALA H . 27221 1 155 . 1 1 43 43 ALA C C 13 172.749 0.400 . 1 . . . . . 458 ALA C . 27221 1 156 . 1 1 43 43 ALA CA C 13 47.631 0.400 . 1 . . . . . 458 ALA CA . 27221 1 157 . 1 1 43 43 ALA CB C 13 15.503 0.400 . 1 . . . . . 458 ALA CB . 27221 1 158 . 1 1 43 43 ALA N N 15 124.631 0.400 . 1 . . . . . 458 ALA N . 27221 1 159 . 1 1 45 45 ARG H H 1 8.304 0.020 . 1 . . . . . 460 ARG H . 27221 1 160 . 1 1 45 45 ARG C C 13 171.201 0.400 . 1 . . . . . 460 ARG C . 27221 1 161 . 1 1 45 45 ARG CA C 13 51.134 0.400 . 1 . . . . . 460 ARG CA . 27221 1 162 . 1 1 45 45 ARG CB C 13 27.124 0.400 . 1 . . . . . 460 ARG CB . 27221 1 163 . 1 1 45 45 ARG N N 15 122.291 0.400 . 1 . . . . . 460 ARG N . 27221 1 164 . 1 1 48 48 PHE H H 1 8.039 0.020 . 1 . . . . . 463 PHE H . 27221 1 165 . 1 1 48 48 PHE C C 13 173.097 0.400 . 1 . . . . . 463 PHE C . 27221 1 166 . 1 1 48 48 PHE CA C 13 55.078 0.400 . 1 . . . . . 463 PHE CA . 27221 1 167 . 1 1 48 48 PHE CB C 13 36.709 0.400 . 1 . . . . . 463 PHE CB . 27221 1 168 . 1 1 48 48 PHE N N 15 119.146 0.400 . 1 . . . . . 463 PHE N . 27221 1 169 . 1 1 49 49 SER H H 1 8.109 0.020 . 1 . . . . . 464 SER H . 27221 1 170 . 1 1 49 49 SER CA C 13 55.433 0.400 . 1 . . . . . 464 SER CA . 27221 1 171 . 1 1 49 49 SER CB C 13 61.461 0.400 . 1 . . . . . 464 SER CB . 27221 1 172 . 1 1 49 49 SER N N 15 116.708 0.400 . 1 . . . . . 464 SER N . 27221 1 173 . 1 1 50 50 THR H H 1 8.093 0.020 . 1 . . . . . 465 THR H . 27221 1 174 . 1 1 50 50 THR CA C 13 59.335 0.400 . 1 . . . . . 465 THR CA . 27221 1 175 . 1 1 50 50 THR CB C 13 66.966 0.400 . 1 . . . . . 465 THR CB . 27221 1 176 . 1 1 50 50 THR N N 15 115.449 0.400 . 1 . . . . . 465 THR N . 27221 1 177 . 1 1 51 51 MET H H 1 8.181 0.020 . 1 . . . . . 466 MET H . 27221 1 178 . 1 1 51 51 MET C C 13 173.006 0.400 . 1 . . . . . 466 MET C . 27221 1 179 . 1 1 51 51 MET CA C 13 52.809 0.400 . 1 . . . . . 466 MET CA . 27221 1 180 . 1 1 51 51 MET CB C 13 30.184 0.400 . 1 . . . . . 466 MET CB . 27221 1 181 . 1 1 51 51 MET N N 15 122.348 0.400 . 1 . . . . . 466 MET N . 27221 1 182 . 1 1 52 52 ARG H H 1 8.248 0.020 . 1 . . . . . 467 ARG H . 27221 1 183 . 1 1 52 52 ARG C C 13 171.265 0.400 . 1 . . . . . 467 ARG C . 27221 1 184 . 1 1 52 52 ARG CA C 13 51.248 0.400 . 1 . . . . . 467 ARG CA . 27221 1 185 . 1 1 52 52 ARG CB C 13 27.489 0.400 . 1 . . . . . 467 ARG CB . 27221 1 186 . 1 1 52 52 ARG N N 15 123.666 0.400 . 1 . . . . . 467 ARG N . 27221 1 187 . 1 1 54 54 ALA H H 1 8.387 0.020 . 1 . . . . . 469 ALA H . 27221 1 188 . 1 1 54 54 ALA C C 13 174.245 0.400 . 1 . . . . . 469 ALA C . 27221 1 189 . 1 1 54 54 ALA CA C 13 49.901 0.400 . 1 . . . . . 469 ALA CA . 27221 1 190 . 1 1 54 54 ALA CB C 13 16.425 0.400 . 1 . . . . . 469 ALA CB . 27221 1 191 . 1 1 54 54 ALA N N 15 124.936 0.400 . 1 . . . . . 469 ALA N . 27221 1 192 . 1 1 55 55 SER H H 1 7.809 0.020 . 1 . . . . . 470 SER H . 27221 1 193 . 1 1 55 55 SER C C 13 175.882 0.400 . 1 . . . . . 470 SER C . 27221 1 194 . 1 1 55 55 SER CA C 13 57.066 0.400 . 1 . . . . . 470 SER CA . 27221 1 195 . 1 1 55 55 SER CB C 13 62.312 0.400 . 1 . . . . . 470 SER CB . 27221 1 196 . 1 1 55 55 SER N N 15 120.264 0.400 . 1 . . . . . 470 SER N . 27221 1 stop_ save_