################################### # 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 18207 _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 NCACX . . . 18207 1 2 NCOCX . . . 18207 1 3 CAN(co)CX . . . 18207 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.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 42 42 SER C C 13 171.264 0.12 . 1 . . . . 42 SER C . 18207 1 2 . 1 1 42 42 SER CA C 13 58.554 0.14 . 1 . . . . 42 SER CA . 18207 1 3 . 1 1 42 42 SER CB C 13 67.445 0.09 . 1 . . . . 42 SER CB . 18207 1 4 . 1 1 42 42 SER N N 15 111.725 0.19 . 1 . . . . 42 SER N . 18207 1 5 . 1 1 43 43 LYS C C 13 175.673 0.10 . 1 . . . . 43 LYS C . 18207 1 6 . 1 1 43 43 LYS CA C 13 54.691 0.17 . 1 . . . . 43 LYS CA . 18207 1 7 . 1 1 43 43 LYS CB C 13 36.083 0.05 . 1 . . . . 43 LYS CB . 18207 1 8 . 1 1 43 43 LYS N N 15 122.581 0.17 . 1 . . . . 43 LYS N . 18207 1 9 . 1 1 44 44 THR C C 13 175.108 0.14 . 1 . . . . 44 THR C . 18207 1 10 . 1 1 44 44 THR CA C 13 59.614 0.11 . 1 . . . . 44 THR CA . 18207 1 11 . 1 1 44 44 THR CB C 13 71.450 0.10 . 1 . . . . 44 THR CB . 18207 1 12 . 1 1 44 44 THR CG2 C 13 22.316 0.16 . 1 . . . . 44 THR CG2 . 18207 1 13 . 1 1 44 44 THR N N 15 113.675 0.15 . 1 . . . . 44 THR N . 18207 1 14 . 1 1 45 45 LYS C C 13 173.612 0.14 . 1 . . . . 45 LYS C . 18207 1 15 . 1 1 45 45 LYS CA C 13 56.259 0.09 . 1 . . . . 45 LYS CA . 18207 1 16 . 1 1 45 45 LYS CB C 13 36.817 0.12 . 1 . . . . 45 LYS CB . 18207 1 17 . 1 1 45 45 LYS CG C 13 27.054 0.15 . 1 . . . . 45 LYS CG . 18207 1 18 . 1 1 45 45 LYS N N 15 122.829 0.15 . 1 . . . . 45 LYS N . 18207 1 19 . 1 1 46 46 GLU C C 13 174.841 0.07 . 1 . . . . 46 GLU C . 18207 1 20 . 1 1 46 46 GLU CA C 13 54.026 0.13 . 1 . . . . 46 GLU CA . 18207 1 21 . 1 1 46 46 GLU CB C 13 32.353 0.13 . 1 . . . . 46 GLU CB . 18207 1 22 . 1 1 46 46 GLU CG C 13 35.149 0.13 . 1 . . . . 46 GLU CG . 18207 1 23 . 1 1 46 46 GLU CD C 13 182.9 0.00 . 1 . . . . 46 GLU CD . 18207 1 24 . 1 1 46 46 GLU N N 15 126.363 0.09 . 1 . . . . 46 GLU N . 18207 1 25 . 1 1 47 47 GLY C C 13 172.715 0.11 . 1 . . . . 47 GLY C . 18207 1 26 . 1 1 47 47 GLY CA C 13 48.442 0.14 . 1 . . . . 47 GLY CA . 18207 1 27 . 1 1 47 47 GLY N N 15 115.528 0.14 . 1 . . . . 47 GLY N . 18207 1 28 . 1 1 48 48 VAL C C 13 174.238 0.10 . 1 . . . . 48 VAL C . 18207 1 29 . 1 1 48 48 VAL CA C 13 59.602 0.07 . 1 . . . . 48 VAL CA . 18207 1 30 . 1 1 48 48 VAL CB C 13 37.655 0.05 . 1 . . . . 48 VAL CB . 18207 1 31 . 1 1 48 48 VAL CG1 C 13 24.012 0.07 . 2 . . . . 48 VAL CG1 . 18207 1 32 . 1 1 48 48 VAL CG2 C 13 20.845 0.09 . 2 . . . . 48 VAL CG2 . 18207 1 33 . 1 1 48 48 VAL N N 15 118.664 0.13 . 1 . . . . 48 VAL N . 18207 1 34 . 1 1 49 49 VAL CA C 13 61.434 0.14 . 1 . . . . 49 VAL CA . 18207 1 35 . 1 1 49 49 VAL CB C 13 34.047 0.11 . 1 . . . . 49 VAL CB . 18207 1 36 . 1 1 49 49 VAL N N 15 126.536 0.12 . 1 . . . . 49 VAL N . 18207 1 37 . 1 1 52 52 VAL C C 13 174.166 0.00 . 1 . . . . 52 VAL C . 18207 1 38 . 1 1 52 52 VAL CA C 13 61.233 0.00 . 1 . . . . 52 VAL CA . 18207 1 39 . 1 1 52 52 VAL CB C 13 33.802 0.08 . 1 . . . . 52 VAL CB . 18207 1 40 . 1 1 52 52 VAL CG2 C 13 20.596 0.05 . 1 . . . . 52 VAL CG2 . 18207 1 41 . 1 1 53 53 THR C C 13 173.407 0.13 . 1 . . . . 53 THR C . 18207 1 42 . 1 1 53 53 THR CA C 13 61.629 0.11 . 1 . . . . 53 THR CA . 18207 1 43 . 1 1 53 53 THR CB C 13 70.185 0.06 . 1 . . . . 53 THR CB . 18207 1 44 . 1 1 53 53 THR CG2 C 13 21.344 0.05 . 1 . . . . 53 THR CG2 . 18207 1 45 . 1 1 53 53 THR N N 15 127.566 0.15 . 1 . . . . 53 THR N . 18207 1 46 . 1 1 54 54 THR C C 13 172.484 0.12 . 1 . . . . 54 THR C . 18207 1 47 . 1 1 54 54 THR CA C 13 61.534 0.06 . 1 . . . . 54 THR CA . 18207 1 48 . 1 1 54 54 THR CB C 13 71.234 0.08 . 1 . . . . 54 THR CB . 18207 1 49 . 1 1 54 54 THR CG2 C 13 21.192 0.07 . 1 . . . . 54 THR CG2 . 18207 1 50 . 1 1 54 54 THR N N 15 126.666 0.17 . 1 . . . . 54 THR N . 18207 1 51 . 1 1 55 55 VAL CA C 13 61.896 0.05 . 1 . . . . 55 VAL CA . 18207 1 52 . 1 1 55 55 VAL N N 15 128.223 0.10 . 1 . . . . 55 VAL N . 18207 1 53 . 1 1 59 59 THR CA C 13 67.132 0.10 . 1 . . . . 59 THR CA . 18207 1 54 . 1 1 59 59 THR CB C 13 67.132 0.10 . 1 . . . . 59 THR CB . 18207 1 55 . 1 1 59 59 THR CG2 C 13 22.715 0.11 . 1 . . . . 59 THR CG2 . 18207 1 56 . 1 1 59 59 THR N N 15 122.232 0.15 . 1 . . . . 59 THR N . 18207 1 57 . 1 1 62 62 GLN C C 13 173.678 0.01 . 1 . . . . 62 GLN C . 18207 1 58 . 1 1 62 62 GLN CA C 13 54.454 0.11 . 1 . . . . 62 GLN CA . 18207 1 59 . 1 1 63 63 VAL C C 13 174.312 0.05 . 1 . . . . 63 VAL C . 18207 1 60 . 1 1 63 63 VAL CA C 13 61.223 0.06 . 1 . . . . 63 VAL CA . 18207 1 61 . 1 1 63 63 VAL CB C 13 33.906 0.13 . 1 . . . . 63 VAL CB . 18207 1 62 . 1 1 63 63 VAL CG2 C 13 21.165 0.10 . 2 . . . . 63 VAL CG2 . 18207 1 63 . 1 1 63 63 VAL N N 15 126.303 0.12 . 1 . . . . 63 VAL N . 18207 1 64 . 1 1 64 64 THR C C 13 172.535 0.16 . 1 . . . . 64 THR C . 18207 1 65 . 1 1 64 64 THR CA C 13 62.260 0.15 . 1 . . . . 64 THR CA . 18207 1 66 . 1 1 64 64 THR CB C 13 69.519 0.18 . 1 . . . . 64 THR CB . 18207 1 67 . 1 1 64 64 THR CG2 C 13 21.822 0.00 . 1 . . . . 64 THR CG2 . 18207 1 68 . 1 1 64 64 THR N N 15 126.603 0.19 . 1 . . . . 64 THR N . 18207 1 69 . 1 1 65 65 ASN C C 13 172.661 0.09 . 1 . . . . 65 ASN C . 18207 1 70 . 1 1 65 65 ASN CA C 13 51.861 0.08 . 1 . . . . 65 ASN CA . 18207 1 71 . 1 1 65 65 ASN CB C 13 43.601 0.25 . 1 . . . . 65 ASN CB . 18207 1 72 . 1 1 65 65 ASN CG C 13 174.883 0.11 . 1 . . . . 65 ASN CG . 18207 1 73 . 1 1 65 65 ASN N N 15 125.220 0.16 . 1 . . . . 65 ASN N . 18207 1 74 . 1 1 66 66 VAL C C 13 177.631 0.20 . 1 . . . . 66 VAL C . 18207 1 75 . 1 1 66 66 VAL CA C 13 60.742 0.13 . 1 . . . . 66 VAL CA . 18207 1 76 . 1 1 66 66 VAL CB C 13 33.623 0.11 . 1 . . . . 66 VAL CB . 18207 1 77 . 1 1 66 66 VAL CG2 C 13 21.369 0.11 . 2 . . . . 66 VAL CG2 . 18207 1 78 . 1 1 66 66 VAL N N 15 127.279 0.13 . 1 . . . . 66 VAL N . 18207 1 79 . 1 1 67 67 GLY C C 13 172.429 0.14 . 1 . . . . 67 GLY C . 18207 1 80 . 1 1 67 67 GLY CA C 13 46.619 0.16 . 1 . . . . 67 GLY CA . 18207 1 81 . 1 1 67 67 GLY N N 15 111.331 0.14 . 1 . . . . 67 GLY N . 18207 1 82 . 1 1 68 68 GLY C C 13 172.255 0.10 . 1 . . . . 68 GLY C . 18207 1 83 . 1 1 68 68 GLY CA C 13 43.323 0.23 . 1 . . . . 68 GLY CA . 18207 1 84 . 1 1 68 68 GLY N N 15 103.348 0.15 . 1 . . . . 68 GLY N . 18207 1 85 . 1 1 69 69 ALA C C 13 175.330 0.11 . 1 . . . . 69 ALA C . 18207 1 86 . 1 1 69 69 ALA CA C 13 50.320 0.14 . 1 . . . . 69 ALA CA . 18207 1 87 . 1 1 69 69 ALA CB C 13 23.325 0.07 . 1 . . . . 69 ALA CB . 18207 1 88 . 1 1 69 69 ALA N N 15 126.615 0.13 . 1 . . . . 69 ALA N . 18207 1 89 . 1 1 70 70 VAL C C 13 174.505 0.11 . 1 . . . . 70 VAL C . 18207 1 90 . 1 1 70 70 VAL CA C 13 60.056 0.12 . 1 . . . . 70 VAL CA . 18207 1 91 . 1 1 70 70 VAL CB C 13 35.837 0.09 . 1 . . . . 70 VAL CB . 18207 1 92 . 1 1 70 70 VAL CG2 C 13 21.490 0.13 . 2 . . . . 70 VAL CG2 . 18207 1 93 . 1 1 70 70 VAL N N 15 120.705 0.14 . 1 . . . . 70 VAL N . 18207 1 94 . 1 1 71 71 VAL C C 13 176.306 0.12 . 1 . . . . 71 VAL C . 18207 1 95 . 1 1 71 71 VAL CA C 13 61.132 0.13 . 1 . . . . 71 VAL CA . 18207 1 96 . 1 1 71 71 VAL CB C 13 35.210 0.09 . 1 . . . . 71 VAL CB . 18207 1 97 . 1 1 71 71 VAL CG2 C 13 20.880 0.04 . 2 . . . . 71 VAL CG2 . 18207 1 98 . 1 1 71 71 VAL N N 15 126.381 0.14 . 1 . . . . 71 VAL N . 18207 1 99 . 1 1 72 72 THR C C 13 175.525 0.09 . 1 . . . . 72 THR C . 18207 1 100 . 1 1 72 72 THR CA C 13 59.530 0.16 . 1 . . . . 72 THR CA . 18207 1 101 . 1 1 72 72 THR CB C 13 69.485 0.09 . 1 . . . . 72 THR CB . 18207 1 102 . 1 1 72 72 THR CG2 C 13 22.114 0.04 . 1 . . . . 72 THR CG2 . 18207 1 103 . 1 1 72 72 THR N N 15 115.486 0.18 . 1 . . . . 72 THR N . 18207 1 104 . 1 1 73 73 GLY C C 13 172.984 0.17 . 1 . . . . 73 GLY C . 18207 1 105 . 1 1 73 73 GLY CA C 13 44.051 0.16 . 1 . . . . 73 GLY CA . 18207 1 106 . 1 1 73 73 GLY N N 15 109.362 0.12 . 1 . . . . 73 GLY N . 18207 1 107 . 1 1 74 74 VAL C C 13 174.939 0.10 . 1 . . . . 74 VAL C . 18207 1 108 . 1 1 74 74 VAL CA C 13 61.400 0.13 . 1 . . . . 74 VAL CA . 18207 1 109 . 1 1 74 74 VAL CB C 13 34.864 0.07 . 1 . . . . 74 VAL CB . 18207 1 110 . 1 1 74 74 VAL CG1 C 13 21.012 0.10 . 2 . . . . 74 VAL CG1 . 18207 1 111 . 1 1 74 74 VAL CG2 C 13 19.382 0.04 . 2 . . . . 74 VAL CG2 . 18207 1 112 . 1 1 74 74 VAL N N 15 123.641 0.25 . 1 . . . . 74 VAL N . 18207 1 113 . 1 1 75 75 THR C C 13 172.108 0.08 . 1 . . . . 75 THR C . 18207 1 114 . 1 1 75 75 THR CA C 13 61.948 0.09 . 1 . . . . 75 THR CA . 18207 1 115 . 1 1 75 75 THR CB C 13 70.304 0.08 . 1 . . . . 75 THR CB . 18207 1 116 . 1 1 75 75 THR CG2 C 13 21.364 0.03 . 1 . . . . 75 THR CG2 . 18207 1 117 . 1 1 75 75 THR N N 15 127.767 0.11 . 1 . . . . 75 THR N . 18207 1 118 . 1 1 76 76 ALA C C 13 174.237 0.10 . 1 . . . . 76 ALA C . 18207 1 119 . 1 1 76 76 ALA CA C 13 49.791 0.11 . 1 . . . . 76 ALA CA . 18207 1 120 . 1 1 76 76 ALA CB C 13 21.341 0.04 . 1 . . . . 76 ALA CB . 18207 1 121 . 1 1 76 76 ALA N N 15 130.364 0.19 . 1 . . . . 76 ALA N . 18207 1 122 . 1 1 77 77 VAL C C 13 172.822 0.07 . 1 . . . . 77 VAL C . 18207 1 123 . 1 1 77 77 VAL CA C 13 60.662 0.07 . 1 . . . . 77 VAL CA . 18207 1 124 . 1 1 77 77 VAL CB C 13 35.860 0.08 . 1 . . . . 77 VAL CB . 18207 1 125 . 1 1 77 77 VAL CG1 C 13 21.288 0.06 . 2 . . . . 77 VAL CG1 . 18207 1 126 . 1 1 77 77 VAL CG2 C 13 20.387 0.08 . 2 . . . . 77 VAL CG2 . 18207 1 127 . 1 1 77 77 VAL N N 15 123.936 0.12 . 1 . . . . 77 VAL N . 18207 1 128 . 1 1 78 78 ALA C C 13 176.084 0.14 . 1 . . . . 78 ALA C . 18207 1 129 . 1 1 78 78 ALA CA C 13 49.887 0.16 . 1 . . . . 78 ALA CA . 18207 1 130 . 1 1 78 78 ALA CB C 13 24.879 0.07 . 1 . . . . 78 ALA CB . 18207 1 131 . 1 1 78 78 ALA N N 15 130.077 0.11 . 1 . . . . 78 ALA N . 18207 1 132 . 1 1 79 79 GLN C C 13 176.490 0.18 . 1 . . . . 79 GLN C . 18207 1 133 . 1 1 79 79 GLN CA C 13 52.391 0.19 . 1 . . . . 79 GLN CA . 18207 1 134 . 1 1 79 79 GLN CB C 13 32.897 0.05 . 1 . . . . 79 GLN CB . 18207 1 135 . 1 1 79 79 GLN CG C 13 33.555 0.00 . 1 . . . . 79 GLN CG . 18207 1 136 . 1 1 79 79 GLN CD C 13 177.543 0.14 . 1 . . . . 79 GLN CD . 18207 1 137 . 1 1 79 79 GLN N N 15 120.311 0.12 . 1 . . . . 79 GLN N . 18207 1 138 . 1 1 79 79 GLN NE2 N 15 111.085 0.10 . 1 . . . . 79 GLN NE2 . 18207 1 139 . 1 1 80 80 LYS C C 13 175.880 0.08 . 1 . . . . 80 LYS C . 18207 1 140 . 1 1 80 80 LYS CA C 13 60.412 0.08 . 1 . . . . 80 LYS CA . 18207 1 141 . 1 1 80 80 LYS CB C 13 32.293 0.08 . 1 . . . . 80 LYS CB . 18207 1 142 . 1 1 80 80 LYS CG C 13 26.664 0.07 . 1 . . . . 80 LYS CG . 18207 1 143 . 1 1 80 80 LYS CD C 13 31.444 0.10 . 1 . . . . 80 LYS CD . 18207 1 144 . 1 1 80 80 LYS CE C 13 42.177 0.06 . 1 . . . . 80 LYS CE . 18207 1 145 . 1 1 80 80 LYS N N 15 122.918 0.11 . 1 . . . . 80 LYS N . 18207 1 146 . 1 1 81 81 THR C C 13 173.506 0.10 . 1 . . . . 81 THR C . 18207 1 147 . 1 1 81 81 THR CA C 13 61.177 0.11 . 1 . . . . 81 THR CA . 18207 1 148 . 1 1 81 81 THR CB C 13 72.221 0.09 . 1 . . . . 81 THR CB . 18207 1 149 . 1 1 81 81 THR CG2 C 13 22.531 0.13 . 1 . . . . 81 THR CG2 . 18207 1 150 . 1 1 81 81 THR N N 15 113.464 0.24 . 1 . . . . 81 THR N . 18207 1 151 . 1 1 82 82 VAL C C 13 174.651 0.08 . 1 . . . . 82 VAL C . 18207 1 152 . 1 1 82 82 VAL CA C 13 61.578 0.13 . 1 . . . . 82 VAL CA . 18207 1 153 . 1 1 82 82 VAL CB C 13 33.952 0.09 . 1 . . . . 82 VAL CB . 18207 1 154 . 1 1 82 82 VAL CG2 C 13 20.326 0.21 . 2 . . . . 82 VAL CG2 . 18207 1 155 . 1 1 82 82 VAL N N 15 126.208 0.08 . 1 . . . . 82 VAL N . 18207 1 156 . 1 1 83 83 GLU C C 13 175.129 0.11 . 1 . . . . 83 GLU C . 18207 1 157 . 1 1 83 83 GLU CA C 13 53.837 0.17 . 1 . . . . 83 GLU CA . 18207 1 158 . 1 1 83 83 GLU CB C 13 33.743 0.03 . 1 . . . . 83 GLU CB . 18207 1 159 . 1 1 83 83 GLU CG C 13 35.997 0.02 . 1 . . . . 83 GLU CG . 18207 1 160 . 1 1 83 83 GLU CD C 13 183.029 0.02 . 1 . . . . 83 GLU CD . 18207 1 161 . 1 1 83 83 GLU N N 15 126.193 0.14 . 1 . . . . 83 GLU N . 18207 1 162 . 1 1 84 84 GLY C C 13 173.435 0.13 . 1 . . . . 84 GLY C . 18207 1 163 . 1 1 84 84 GLY CA C 13 45.106 0.16 . 1 . . . . 84 GLY CA . 18207 1 164 . 1 1 84 84 GLY N N 15 112.751 0.17 . 1 . . . . 84 GLY N . 18207 1 165 . 1 1 85 85 ALA C C 13 178.799 0.09 . 1 . . . . 85 ALA C . 18207 1 166 . 1 1 85 85 ALA CA C 13 53.283 0.14 . 1 . . . . 85 ALA CA . 18207 1 167 . 1 1 85 85 ALA CB C 13 18.481 0.03 . 1 . . . . 85 ALA CB . 18207 1 168 . 1 1 85 85 ALA N N 15 130.800 0.17 . 1 . . . . 85 ALA N . 18207 1 169 . 1 1 86 86 GLY C C 13 173.908 0.18 . 1 . . . . 86 GLY C . 18207 1 170 . 1 1 86 86 GLY CA C 13 46.643 0.23 . 1 . . . . 86 GLY CA . 18207 1 171 . 1 1 86 86 GLY N N 15 110.792 0.14 . 1 . . . . 86 GLY N . 18207 1 172 . 1 1 87 87 SER C C 13 173.431 0.09 . 1 . . . . 87 SER C . 18207 1 173 . 1 1 87 87 SER CA C 13 58.856 0.07 . 1 . . . . 87 SER CA . 18207 1 174 . 1 1 87 87 SER CB C 13 64.765 0.05 . 1 . . . . 87 SER CB . 18207 1 175 . 1 1 87 87 SER N N 15 115.943 0.15 . 1 . . . . 87 SER N . 18207 1 176 . 1 1 88 88 ILE C C 13 175.421 0.15 . 1 . . . . 88 ILE C . 18207 1 177 . 1 1 88 88 ILE CA C 13 60.155 0.07 . 1 . . . . 88 ILE CA . 18207 1 178 . 1 1 88 88 ILE CB C 13 40.404 0.10 . 1 . . . . 88 ILE CB . 18207 1 179 . 1 1 88 88 ILE CG1 C 13 27.351 0.07 . 1 . . . . 88 ILE CG1 . 18207 1 180 . 1 1 88 88 ILE CG2 C 13 17.544 0.05 . 1 . . . . 88 ILE CG2 . 18207 1 181 . 1 1 88 88 ILE CD1 C 13 13.367 0.02 . 1 . . . . 88 ILE CD1 . 18207 1 182 . 1 1 88 88 ILE N N 15 121.464 0.15 . 1 . . . . 88 ILE N . 18207 1 183 . 1 1 89 89 ALA C C 13 176.865 0.14 . 1 . . . . 89 ALA C . 18207 1 184 . 1 1 89 89 ALA CA C 13 54.956 0.09 . 1 . . . . 89 ALA CA . 18207 1 185 . 1 1 89 89 ALA CB C 13 18.687 0.06 . 1 . . . . 89 ALA CB . 18207 1 186 . 1 1 89 89 ALA N N 15 129.504 0.14 . 1 . . . . 89 ALA N . 18207 1 187 . 1 1 90 90 ALA C C 13 174.619 0.17 . 1 . . . . 90 ALA C . 18207 1 188 . 1 1 90 90 ALA CA C 13 51.303 0.17 . 1 . . . . 90 ALA CA . 18207 1 189 . 1 1 90 90 ALA CB C 13 20.951 0.07 . 1 . . . . 90 ALA CB . 18207 1 190 . 1 1 90 90 ALA N N 15 122.886 0.12 . 1 . . . . 90 ALA N . 18207 1 191 . 1 1 91 91 ALA C C 13 175.498 0.09 . 1 . . . . 91 ALA C . 18207 1 192 . 1 1 91 91 ALA CA C 13 49.676 0.12 . 1 . . . . 91 ALA CA . 18207 1 193 . 1 1 91 91 ALA CB C 13 23.123 0.07 . 1 . . . . 91 ALA CB . 18207 1 194 . 1 1 91 91 ALA N N 15 127.493 0.19 . 1 . . . . 91 ALA N . 18207 1 195 . 1 1 92 92 THR C C 13 174.612 0.11 . 1 . . . . 92 THR C . 18207 1 196 . 1 1 92 92 THR CA C 13 61.130 0.10 . 1 . . . . 92 THR CA . 18207 1 197 . 1 1 92 92 THR CB C 13 70.013 0.10 . 1 . . . . 92 THR CB . 18207 1 198 . 1 1 92 92 THR CG2 C 13 21.806 0.09 . 1 . . . . 92 THR CG2 . 18207 1 199 . 1 1 92 92 THR N N 15 125.436 0.12 . 1 . . . . 92 THR N . 18207 1 200 . 1 1 93 93 GLY C C 13 170.061 0.12 . 1 . . . . 93 GLY C . 18207 1 201 . 1 1 93 93 GLY CA C 13 47.540 0.08 . 1 . . . . 93 GLY CA . 18207 1 202 . 1 1 93 93 GLY N N 15 114.896 0.12 . 1 . . . . 93 GLY N . 18207 1 203 . 1 1 94 94 PHE C C 13 173.624 0.13 . 1 . . . . 94 PHE C . 18207 1 204 . 1 1 94 94 PHE CA C 13 54.588 0.11 . 1 . . . . 94 PHE CA . 18207 1 205 . 1 1 94 94 PHE CB C 13 45.804 0.06 . 1 . . . . 94 PHE CB . 18207 1 206 . 1 1 94 94 PHE N N 15 126.474 0.20 . 1 . . . . 94 PHE N . 18207 1 207 . 1 1 95 95 VAL C C 13 171.368 0.09 . 1 . . . . 95 VAL C . 18207 1 208 . 1 1 95 95 VAL CA C 13 61.239 0.10 . 1 . . . . 95 VAL CA . 18207 1 209 . 1 1 95 95 VAL CB C 13 34.898 0.10 . 1 . . . . 95 VAL CB . 18207 1 210 . 1 1 95 95 VAL CG1 C 13 22.148 0.11 . 2 . . . . 95 VAL CG1 . 18207 1 211 . 1 1 95 95 VAL CG2 C 13 20.646 0.14 . 2 . . . . 95 VAL CG2 . 18207 1 212 . 1 1 95 95 VAL N N 15 127.921 0.16 . 1 . . . . 95 VAL N . 18207 1 213 . 1 1 96 96 LYS C C 13 173.061 0.14 . 1 . . . . 96 LYS C . 18207 1 214 . 1 1 96 96 LYS CA C 13 55.024 0.09 . 1 . . . . 96 LYS CA . 18207 1 215 . 1 1 96 96 LYS CB C 13 38.066 0.15 . 1 . . . . 96 LYS CB . 18207 1 216 . 1 1 96 96 LYS CG C 13 25.764 0.10 . 1 . . . . 96 LYS CG . 18207 1 217 . 1 1 96 96 LYS CD C 13 31.078 0.09 . 1 . . . . 96 LYS CD . 18207 1 218 . 1 1 96 96 LYS CE C 13 41.798 0.07 . 1 . . . . 96 LYS CE . 18207 1 219 . 1 1 96 96 LYS N N 15 133.082 0.14 . 1 . . . . 96 LYS N . 18207 1 220 . 1 1 97 97 LYS C C 13 174.924 0.14 . 1 . . . . 97 LYS C . 18207 1 221 . 1 1 97 97 LYS CA C 13 54.137 0.09 . 1 . . . . 97 LYS CA . 18207 1 222 . 1 1 97 97 LYS CB C 13 34.078 0.15 . 1 . . . . 97 LYS CB . 18207 1 223 . 1 1 97 97 LYS CG C 13 25.054 0.12 . 1 . . . . 97 LYS CG . 18207 1 224 . 1 1 97 97 LYS CD C 13 30.586 0.16 . 1 . . . . 97 LYS CD . 18207 1 225 . 1 1 97 97 LYS CE C 13 42.141 0.11 . 1 . . . . 97 LYS CE . 18207 1 226 . 1 1 97 97 LYS N N 15 130.265 0.10 . 1 . . . . 97 LYS N . 18207 1 227 . 1 1 98 98 ASP C C 13 175.046 0.10 . 1 . . . . 98 ASP C . 18207 1 228 . 1 1 98 98 ASP CA C 13 54.937 0.24 . 1 . . . . 98 ASP CA . 18207 1 229 . 1 1 98 98 ASP N N 15 124.034 0.09 . 1 . . . . 98 ASP N . 18207 1 stop_ save_