################################### # 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 18208 _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 . . . 18208 1 2 NCOCX . . . 18208 1 3 CAN(co)CX . . . 18208 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 46 46 LYS C C 13 173.348 0.04 . 1 . . . . 46 LYS C . 18208 1 2 . 1 1 46 46 LYS CA C 13 52.520 0.14 . 1 . . . . 46 LYS CA . 18208 1 3 . 1 1 46 46 LYS CE C 13 42.235 0.04 . 1 . . . . 46 LYS CE . 18208 1 4 . 1 1 46 46 LYS N N 15 127.800 0.09 . 1 . . . . 46 LYS N . 18208 1 5 . 1 1 47 47 GLY C C 13 172.762 0.08 . 1 . . . . 47 GLY C . 18208 1 6 . 1 1 47 47 GLY CA C 13 45.839 0.14 . 1 . . . . 47 GLY CA . 18208 1 7 . 1 1 47 47 GLY N N 15 111.823 0.18 . 1 . . . . 47 GLY N . 18208 1 8 . 1 1 48 48 VAL C C 13 175.794 0.14 . 1 . . . . 48 VAL C . 18208 1 9 . 1 1 48 48 VAL CA C 13 60.627 0.11 . 1 . . . . 48 VAL CA . 18208 1 10 . 1 1 48 48 VAL CB C 13 36.067 0.07 . 1 . . . . 48 VAL CB . 18208 1 11 . 1 1 48 48 VAL CG1 C 13 22.556 0.02 . 2 . . . . 48 VAL CG1 . 18208 1 12 . 1 1 48 48 VAL CG2 C 13 21.400 0.12 . 2 . . . . 48 VAL CG2 . 18208 1 13 . 1 1 48 48 VAL N N 15 118.111 0.09 . 1 . . . . 48 VAL N . 18208 1 14 . 1 1 49 49 VAL C C 13 172.164 0.08 . 1 . . . . 49 VAL C . 18208 1 15 . 1 1 49 49 VAL CA C 13 62.716 0.12 . 1 . . . . 49 VAL CA . 18208 1 16 . 1 1 49 49 VAL CG2 C 13 21.434 0.13 . 2 . . . . 49 VAL CG2 . 18208 1 17 . 1 1 49 49 VAL N N 15 126.411 0.18 . 1 . . . . 49 VAL N . 18208 1 18 . 1 1 50 50 HIS N N 15 129.868 0.14 . 1 . . . . 50 HIS N . 18208 1 19 . 1 1 59 59 THR C C 13 173.773 0.02 . 1 . . . . 59 THR C . 18208 1 20 . 1 1 59 59 THR CA C 13 61.951 0.00 . 1 . . . . 59 THR CA . 18208 1 21 . 1 1 59 59 THR CB C 13 69.166 0.15 . 1 . . . . 59 THR CB . 18208 1 22 . 1 1 60 60 LYS C C 13 174.441 0.13 . 1 . . . . 60 LYS C . 18208 1 23 . 1 1 60 60 LYS CA C 13 54.008 0.12 . 1 . . . . 60 LYS CA . 18208 1 24 . 1 1 60 60 LYS CB C 13 33.066 0.12 . 1 . . . . 60 LYS CB . 18208 1 25 . 1 1 60 60 LYS CE C 13 44.033 0.00 . 1 . . . . 60 LYS CE . 18208 1 26 . 1 1 60 60 LYS N N 15 126.088 0.18 . 1 . . . . 60 LYS N . 18208 1 27 . 1 1 61 61 GLU C C 13 174.049 0.12 . 1 . . . . 61 GLU C . 18208 1 28 . 1 1 61 61 GLU CA C 13 54.856 0.11 . 1 . . . . 61 GLU CA . 18208 1 29 . 1 1 61 61 GLU CB C 13 34.223 0.11 . 1 . . . . 61 GLU CB . 18208 1 30 . 1 1 61 61 GLU CG C 13 36.789 0.04 . 1 . . . . 61 GLU CG . 18208 1 31 . 1 1 61 61 GLU CD C 13 179.759 0.16 . 1 . . . . 61 GLU CD . 18208 1 32 . 1 1 61 61 GLU N N 15 120.954 0.10 . 1 . . . . 61 GLU N . 18208 1 33 . 1 1 62 62 GLN C C 13 174.428 0.07 . 1 . . . . 62 GLN C . 18208 1 34 . 1 1 62 62 GLN CA C 13 54.542 0.11 . 1 . . . . 62 GLN CA . 18208 1 35 . 1 1 62 62 GLN CB C 13 34.066 0.07 . 1 . . . . 62 GLN CB . 18208 1 36 . 1 1 62 62 GLN CG C 13 34.309 0.03 . 1 . . . . 62 GLN CG . 18208 1 37 . 1 1 62 62 GLN CD C 13 176.960 0.14 . 1 . . . . 62 GLN CD . 18208 1 38 . 1 1 62 62 GLN N N 15 124.130 0.25 . 1 . . . . 62 GLN N . 18208 1 39 . 1 1 63 63 VAL C C 13 174.803 0.11 . 1 . . . . 63 VAL C . 18208 1 40 . 1 1 63 63 VAL CA C 13 61.247 0.10 . 1 . . . . 63 VAL CA . 18208 1 41 . 1 1 63 63 VAL CB C 13 34.760 0.21 . 1 . . . . 63 VAL CB . 18208 1 42 . 1 1 63 63 VAL CG1 C 13 22.807 0.09 . 2 . . . . 63 VAL CG1 . 18208 1 43 . 1 1 63 63 VAL CG2 C 13 20.927 0.15 . 2 . . . . 63 VAL CG2 . 18208 1 44 . 1 1 63 63 VAL N N 15 130.516 0.15 . 1 . . . . 63 VAL N . 18208 1 45 . 1 1 64 64 THR C C 13 173.731 0.08 . 1 . . . . 64 THR C . 18208 1 46 . 1 1 64 64 THR CA C 13 62.516 0.14 . 1 . . . . 64 THR CA . 18208 1 47 . 1 1 64 64 THR CB C 13 71.302 0.12 . 1 . . . . 64 THR CB . 18208 1 48 . 1 1 64 64 THR CG2 C 13 21.383 0.07 . 1 . . . . 64 THR CG2 . 18208 1 49 . 1 1 64 64 THR N N 15 122.876 0.11 . 1 . . . . 64 THR N . 18208 1 50 . 1 1 65 65 ASN C C 13 172.905 0.10 . 1 . . . . 65 ASN C . 18208 1 51 . 1 1 65 65 ASN CA C 13 52.822 0.19 . 1 . . . . 65 ASN CA . 18208 1 52 . 1 1 65 65 ASN CB C 13 42.474 0.05 . 1 . . . . 65 ASN CB . 18208 1 53 . 1 1 65 65 ASN CG C 13 175.517 0.05 . 1 . . . . 65 ASN CG . 18208 1 54 . 1 1 65 65 ASN N N 15 128.576 0.18 . 1 . . . . 65 ASN N . 18208 1 55 . 1 1 66 66 VAL C C 13 174.059 0.11 . 1 . . . . 66 VAL C . 18208 1 56 . 1 1 66 66 VAL CA C 13 59.689 0.11 . 1 . . . . 66 VAL CA . 18208 1 57 . 1 1 66 66 VAL CB C 13 35.947 0.11 . 1 . . . . 66 VAL CB . 18208 1 58 . 1 1 66 66 VAL CG1 C 13 20.420 0.14 . 2 . . . . 66 VAL CG1 . 18208 1 59 . 1 1 66 66 VAL CG2 C 13 19.426 0.14 . 2 . . . . 66 VAL CG2 . 18208 1 60 . 1 1 66 66 VAL N N 15 124.381 0.10 . 1 . . . . 66 VAL N . 18208 1 61 . 1 1 67 67 GLY C C 13 172.221 0.07 . 1 . . . . 67 GLY C . 18208 1 62 . 1 1 67 67 GLY CA C 13 44.484 0.17 . 1 . . . . 67 GLY CA . 18208 1 63 . 1 1 67 67 GLY N N 15 111.581 0.15 . 1 . . . . 67 GLY N . 18208 1 64 . 1 1 68 68 GLY C C 13 170.757 0.15 . 1 . . . . 68 GLY C . 18208 1 65 . 1 1 68 68 GLY CA C 13 44.606 0.17 . 1 . . . . 68 GLY CA . 18208 1 66 . 1 1 68 68 GLY N N 15 109.731 0.10 . 1 . . . . 68 GLY N . 18208 1 67 . 1 1 69 69 ALA C C 13 174.868 0.10 . 1 . . . . 69 ALA C . 18208 1 68 . 1 1 69 69 ALA CA C 13 49.645 0.14 . 1 . . . . 69 ALA CA . 18208 1 69 . 1 1 69 69 ALA CB C 13 24.954 0.06 . 1 . . . . 69 ALA CB . 18208 1 70 . 1 1 69 69 ALA N N 15 124.497 0.18 . 1 . . . . 69 ALA N . 18208 1 71 . 1 1 70 70 VAL C C 13 174.626 0.16 . 1 . . . . 70 VAL C . 18208 1 72 . 1 1 70 70 VAL CA C 13 61.128 0.16 . 1 . . . . 70 VAL CA . 18208 1 73 . 1 1 70 70 VAL CB C 13 34.076 0.18 . 1 . . . . 70 VAL CB . 18208 1 74 . 1 1 70 70 VAL CG1 C 13 21.273 0.21 . 2 . . . . 70 VAL CG1 . 18208 1 75 . 1 1 70 70 VAL CG2 C 13 20.161 0.16 . 2 . . . . 70 VAL CG2 . 18208 1 76 . 1 1 70 70 VAL N N 15 122.819 0.20 . 1 . . . . 70 VAL N . 18208 1 77 . 1 1 71 71 VAL C C 13 175.808 0.12 . 1 . . . . 71 VAL C . 18208 1 78 . 1 1 71 71 VAL CA C 13 61.156 0.15 . 1 . . . . 71 VAL CA . 18208 1 79 . 1 1 71 71 VAL CB C 13 34.931 0.16 . 1 . . . . 71 VAL CB . 18208 1 80 . 1 1 71 71 VAL CG1 C 13 22.978 0.15 . 2 . . . . 71 VAL CG1 . 18208 1 81 . 1 1 71 71 VAL CG2 C 13 21.937 0.15 . 2 . . . . 71 VAL CG2 . 18208 1 82 . 1 1 71 71 VAL N N 15 127.299 0.18 . 1 . . . . 71 VAL N . 18208 1 83 . 1 1 72 72 THR C C 13 175.286 0.13 . 1 . . . . 72 THR C . 18208 1 84 . 1 1 72 72 THR CA C 13 60.664 0.13 . 1 . . . . 72 THR CA . 18208 1 85 . 1 1 72 72 THR CB C 13 69.259 0.13 . 1 . . . . 72 THR CB . 18208 1 86 . 1 1 72 72 THR CG2 C 13 22.900 0.09 . 1 . . . . 72 THR CG2 . 18208 1 87 . 1 1 72 72 THR N N 15 119.687 0.13 . 1 . . . . 72 THR N . 18208 1 88 . 1 1 73 73 GLY C C 13 171.965 0.09 . 1 . . . . 73 GLY C . 18208 1 89 . 1 1 73 73 GLY CA C 13 44.178 0.18 . 1 . . . . 73 GLY CA . 18208 1 90 . 1 1 73 73 GLY N N 15 107.577 0.11 . 1 . . . . 73 GLY N . 18208 1 91 . 1 1 74 74 VAL C C 13 174.481 0.08 . 1 . . . . 74 VAL C . 18208 1 92 . 1 1 74 74 VAL CA C 13 61.214 0.11 . 1 . . . . 74 VAL CA . 18208 1 93 . 1 1 74 74 VAL CB C 13 34.788 0.08 . 1 . . . . 74 VAL CB . 18208 1 94 . 1 1 74 74 VAL CG1 C 13 22.181 0.13 . 2 . . . . 74 VAL CG1 . 18208 1 95 . 1 1 74 74 VAL CG2 C 13 21.187 0.00 . 2 . . . . 74 VAL CG2 . 18208 1 96 . 1 1 74 74 VAL N N 15 123.010 0.16 . 1 . . . . 74 VAL N . 18208 1 97 . 1 1 75 75 THR C C 13 171.823 0.13 . 1 . . . . 75 THR C . 18208 1 98 . 1 1 75 75 THR CA C 13 61.486 0.13 . 1 . . . . 75 THR CA . 18208 1 99 . 1 1 75 75 THR CB C 13 71.322 0.19 . 1 . . . . 75 THR CB . 18208 1 100 . 1 1 75 75 THR CG2 C 13 20.425 0.11 . 1 . . . . 75 THR CG2 . 18208 1 101 . 1 1 75 75 THR N N 15 124.742 0.17 . 1 . . . . 75 THR N . 18208 1 102 . 1 1 76 76 ALA C C 13 175.822 0.16 . 1 . . . . 76 ALA C . 18208 1 103 . 1 1 76 76 ALA CA C 13 49.626 0.19 . 1 . . . . 76 ALA CA . 18208 1 104 . 1 1 76 76 ALA CB C 13 23.236 0.10 . 1 . . . . 76 ALA CB . 18208 1 105 . 1 1 76 76 ALA N N 15 129.641 0.19 . 1 . . . . 76 ALA N . 18208 1 106 . 1 1 77 77 VAL C C 13 172.833 0.11 . 1 . . . . 77 VAL C . 18208 1 107 . 1 1 77 77 VAL CA C 13 60.013 0.14 . 1 . . . . 77 VAL CA . 18208 1 108 . 1 1 77 77 VAL CB C 13 35.646 0.10 . 1 . . . . 77 VAL CB . 18208 1 109 . 1 1 77 77 VAL CG1 C 13 22.403 0.07 . 2 . . . . 77 VAL CG1 . 18208 1 110 . 1 1 77 77 VAL CG2 C 13 20.298 0.03 . 2 . . . . 77 VAL CG2 . 18208 1 111 . 1 1 77 77 VAL N N 15 120.635 0.10 . 1 . . . . 77 VAL N . 18208 1 112 . 1 1 78 78 ALA C C 13 175.655 0.08 . 1 . . . . 78 ALA C . 18208 1 113 . 1 1 78 78 ALA CA C 13 49.402 0.15 . 1 . . . . 78 ALA CA . 18208 1 114 . 1 1 78 78 ALA CB C 13 23.315 0.14 . 1 . . . . 78 ALA CB . 18208 1 115 . 1 1 78 78 ALA N N 15 130.369 0.08 . 1 . . . . 78 ALA N . 18208 1 116 . 1 1 79 79 GLN C C 13 175.547 0.00 . 1 . . . . 79 GLN C . 18208 1 117 . 1 1 79 79 GLN CA C 13 52.335 0.08 . 1 . . . . 79 GLN CA . 18208 1 118 . 1 1 79 79 GLN CB C 13 32.999 0.00 . 1 . . . . 79 GLN CB . 18208 1 119 . 1 1 79 79 GLN CD C 13 177.569 0.10 . 1 . . . . 79 GLN CD . 18208 1 120 . 1 1 79 79 GLN N N 15 119.428 0.08 . 1 . . . . 79 GLN N . 18208 1 121 . 1 1 84 84 GLY C C 13 173.006 0.00 . 1 . . . . 84 GLY C . 18208 1 122 . 1 1 84 84 GLY CA C 13 42.802 0.17 . 1 . . . . 84 GLY CA . 18208 1 123 . 1 1 85 85 ALA C C 13 175.200 0.00 . 1 . . . . 85 ALA C . 18208 1 124 . 1 1 85 85 ALA CA C 13 50.100 0.08 . 1 . . . . 85 ALA CA . 18208 1 125 . 1 1 85 85 ALA N N 15 127.100 0.16 . 1 . . . . 85 ALA N . 18208 1 126 . 1 1 86 86 GLY C C 13 174.427 0.19 . 1 . . . . 86 GLY C . 18208 1 127 . 1 1 86 86 GLY CA C 13 46.748 0.14 . 1 . . . . 86 GLY CA . 18208 1 128 . 1 1 86 86 GLY N N 15 116.395 0.10 . 1 . . . . 86 GLY N . 18208 1 129 . 1 1 87 87 SER C C 13 173.146 0.10 . 1 . . . . 87 SER C . 18208 1 130 . 1 1 87 87 SER CA C 13 59.397 0.24 . 1 . . . . 87 SER CA . 18208 1 131 . 1 1 87 87 SER CB C 13 64.488 0.05 . 1 . . . . 87 SER CB . 18208 1 132 . 1 1 87 87 SER N N 15 116.546 0.18 . 1 . . . . 87 SER N . 18208 1 133 . 1 1 88 88 ILE C C 13 174.898 0.00 . 1 . . . . 88 ILE C . 18208 1 134 . 1 1 88 88 ILE CA C 13 61.393 0.14 . 1 . . . . 88 ILE CA . 18208 1 135 . 1 1 88 88 ILE CB C 13 40.287 0.03 . 1 . . . . 88 ILE CB . 18208 1 136 . 1 1 88 88 ILE CG1 C 13 27.229 0.04 . 1 . . . . 88 ILE CG1 . 18208 1 137 . 1 1 88 88 ILE CG2 C 13 17.880 0.07 . 1 . . . . 88 ILE CG2 . 18208 1 138 . 1 1 88 88 ILE CD1 C 13 13.317 0.05 . 1 . . . . 88 ILE CD1 . 18208 1 139 . 1 1 88 88 ILE N N 15 122.590 0.17 . 1 . . . . 88 ILE N . 18208 1 140 . 1 1 89 89 ALA CA C 13 50.066 0.09 . 1 . . . . 89 ALA CA . 18208 1 141 . 1 1 89 89 ALA CB C 13 23.315 0.04 . 1 . . . . 89 ALA CB . 18208 1 142 . 1 1 89 89 ALA N N 15 126.993 0.00 . 1 . . . . 89 ALA N . 18208 1 143 . 1 1 90 90 ALA C C 13 174.958 0.08 . 1 . . . . 90 ALA C . 18208 1 144 . 1 1 90 90 ALA CA C 13 52.075 0.19 . 1 . . . . 90 ALA CA . 18208 1 145 . 1 1 90 90 ALA CB C 13 17.988 0.15 . 1 . . . . 90 ALA CB . 18208 1 146 . 1 1 90 90 ALA N N 15 124.464 0.13 . 1 . . . . 90 ALA N . 18208 1 147 . 1 1 91 91 ALA C C 13 175.799 0.18 . 1 . . . . 91 ALA C . 18208 1 148 . 1 1 91 91 ALA CA C 13 49.851 0.19 . 1 . . . . 91 ALA CA . 18208 1 149 . 1 1 91 91 ALA CB C 13 23.259 0.10 . 1 . . . . 91 ALA CB . 18208 1 150 . 1 1 91 91 ALA N N 15 125.161 0.13 . 1 . . . . 91 ALA N . 18208 1 151 . 1 1 92 92 THR C C 13 174.791 0.08 . 1 . . . . 92 THR C . 18208 1 152 . 1 1 92 92 THR CA C 13 61.400 0.24 . 1 . . . . 92 THR CA . 18208 1 153 . 1 1 92 92 THR CB C 13 71.407 0.11 . 1 . . . . 92 THR CB . 18208 1 154 . 1 1 92 92 THR CG2 C 13 21.518 0.16 . 1 . . . . 92 THR CG2 . 18208 1 155 . 1 1 92 92 THR N N 15 121.801 0.06 . 1 . . . . 92 THR N . 18208 1 156 . 1 1 93 93 GLY C C 13 170.293 0.16 . 1 . . . . 93 GLY C . 18208 1 157 . 1 1 93 93 GLY CA C 13 47.264 0.13 . 1 . . . . 93 GLY CA . 18208 1 158 . 1 1 93 93 GLY N N 15 115.030 0.17 . 1 . . . . 93 GLY N . 18208 1 159 . 1 1 94 94 PHE CA C 13 54.528 0.15 . 1 . . . . 94 PHE CA . 18208 1 160 . 1 1 94 94 PHE N N 15 114.942 0.11 . 1 . . . . 94 PHE N . 18208 1 161 . 1 1 106 106 GLY C C 13 172.203 0.10 . 1 . . . . 106 GLY C . 18208 1 162 . 1 1 106 106 GLY CA C 13 43.480 0.21 . 1 . . . . 106 GLY CA . 18208 1 163 . 1 1 106 106 GLY N N 15 104.281 0.10 . 1 . . . . 106 GLY N . 18208 1 164 . 1 1 107 107 ALA C C 13 176.950 0.11 . 1 . . . . 107 ALA C . 18208 1 165 . 1 1 107 107 ALA CA C 13 55.507 0.07 . 1 . . . . 107 ALA CA . 18208 1 166 . 1 1 107 107 ALA CB C 13 18.799 0.09 . 1 . . . . 107 ALA CB . 18208 1 167 . 1 1 107 107 ALA N N 15 117.271 0.10 . 1 . . . . 107 ALA N . 18208 1 168 . 1 1 108 108 PRO CA C 13 61.392 0.12 . 1 . . . . 108 PRO CA . 18208 1 169 . 1 1 108 108 PRO CG C 13 26.967 0.00 . 1 . . . . 108 PRO CG . 18208 1 170 . 1 1 108 108 PRO CD C 13 52.817 0.10 . 1 . . . . 108 PRO CD . 18208 1 171 . 1 1 108 108 PRO N N 15 118.535 0.07 . 1 . . . . 108 PRO N . 18208 1 stop_ save_