################################### # 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 27450 _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 '3D HNCO' . . . 27450 1 2 '3D HNCA' . . . 27450 1 3 '3D CBCA(CO)NH' . . . 27450 1 4 '3D HN(CO)CA' . . . 27450 1 5 '3D HN(CA)CO' . . . 27450 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 2 2 THR C C 13 175.4698 0.0000 . 1 . . 18822 . . 2 THR C . 27450 1 2 . 1 1 2 2 THR CA C 13 61.8669 0.0000 . 1 . . 13632 . . 2 THR CA . 27450 1 3 . 1 1 2 2 THR CB C 13 70.8417 0.0000 . 1 . . 13086 . . 2 THR CB . 27450 1 4 . 1 1 3 3 LYS H H 1 8.9145 0.0000 . 1 . . 11591 . . 3 LYS H . 27450 1 5 . 1 1 3 3 LYS C C 13 179.0448 0.0000 . 1 . . 12354 . . 3 LYS C . 27450 1 6 . 1 1 3 3 LYS CA C 13 59.7416 0.0000 . 1 . . 12720 . . 3 LYS CA . 27450 1 7 . 1 1 3 3 LYS CB C 13 32.1379 0.0000 . 1 . . 11625 . . 3 LYS CB . 27450 1 8 . 1 1 3 3 LYS N N 15 121.8752 0.0000 . 1 . . 11593 . . 3 LYS N . 27450 1 9 . 1 1 4 4 GLN H H 1 8.4467 0.0000 . 1 . . 11996 . . 4 GLN H . 27450 1 10 . 1 1 4 4 GLN C C 13 179.2151 0.0000 . 1 . . 19162 . . 4 GLN C . 27450 1 11 . 1 1 4 4 GLN CA C 13 59.5220 0.0000 . 1 . . 13653 . . 4 GLN CA . 27450 1 12 . 1 1 4 4 GLN CB C 13 28.5200 0.0000 . 1 . . 13137 . . 4 GLN CB . 27450 1 13 . 1 1 4 4 GLN N N 15 118.7596 0.0000 . 1 . . 11998 . . 4 GLN N . 27450 1 14 . 1 1 5 5 GLU H H 1 7.8035 0.0000 . 1 . . 11672 . . 5 GLU H . 27450 1 15 . 1 1 5 5 GLU C C 13 177.7204 0.0000 . 1 . . 12393 . . 5 GLU C . 27450 1 16 . 1 1 5 5 GLU CA C 13 59.2999 0.0000 . 1 . . 11673 . . 5 GLU CA . 27450 1 17 . 1 1 5 5 GLU CB C 13 29.1631 0.0000 . 1 . . 19255 . . 5 GLU CB . 27450 1 18 . 1 1 5 5 GLU N N 15 121.4421 0.0000 . 1 . . 11674 . . 5 GLU N . 27450 1 19 . 1 1 6 6 LYS H H 1 8.1781 0.0000 . 1 . . 32189 . . 6 LYS H . 27450 1 20 . 1 1 6 6 LYS C C 13 179.1395 0.0000 . 1 . . 32205 . . 6 LYS C . 27450 1 21 . 1 1 6 6 LYS CA C 13 59.1395 0.0000 . 1 . . 32202 . . 6 LYS CA . 27450 1 22 . 1 1 6 6 LYS CB C 13 31.8619 0.0000 . 1 . . 32199 . . 6 LYS CB . 27450 1 23 . 1 1 6 6 LYS N N 15 118.4325 0.0000 . 1 . . 32191 . . 6 LYS N . 27450 1 24 . 1 1 7 7 THR H H 1 8.1687 0.0000 . 1 . . 12170 . . 7 THR H . 27450 1 25 . 1 1 7 7 THR C C 13 176.4486 0.0000 . 1 . . 35189 . . 7 THR C . 27450 1 26 . 1 1 7 7 THR CA C 13 66.6092 0.0000 . 1 . . 12174 . . 7 THR CA . 27450 1 27 . 1 1 7 7 THR CB C 13 68.6924 0.0000 . 1 . . 12171 . . 7 THR CB . 27450 1 28 . 1 1 7 7 THR N N 15 116.3244 0.0000 . 1 . . 12172 . . 7 THR N . 27450 1 29 . 1 1 8 8 ALA H H 1 7.5523 0.0000 . 1 . . 11462 . . 8 ALA H . 27450 1 30 . 1 1 8 8 ALA C C 13 178.4808 0.0000 . 1 . . 12297 . . 8 ALA C . 27450 1 31 . 1 1 8 8 ALA CA C 13 55.4711 0.0000 . 1 . . 12645 . . 8 ALA CA . 27450 1 32 . 1 1 8 8 ALA CB C 13 17.3838 0.0000 . 1 . . 11463 . . 8 ALA CB . 27450 1 33 . 1 1 8 8 ALA N N 15 124.1808 0.0000 . 1 . . 11464 . . 8 ALA N . 27450 1 34 . 1 1 9 9 LEU H H 1 8.1643 0.0000 . 1 . . 32216 . . 9 LEU H . 27450 1 35 . 1 1 9 9 LEU C C 13 178.4712 0.0000 . 1 . . 32229 . . 9 LEU C . 27450 1 36 . 1 1 9 9 LEU CA C 13 58.5267 0.0000 . 1 . . 32244 . . 9 LEU CA . 27450 1 37 . 1 1 9 9 LEU CB C 13 42.5813 0.0000 . 1 . . 32226 . . 9 LEU CB . 27450 1 38 . 1 1 9 9 LEU N N 15 118.4859 0.0000 . 1 . . 32218 . . 9 LEU N . 27450 1 39 . 1 1 10 10 ASN H H 1 8.6681 0.0000 . 1 . . 12122 . . 10 ASN H . 27450 1 40 . 1 1 10 10 ASN C C 13 178.6724 0.0000 . 1 . . 15957 . . 10 ASN C . 27450 1 41 . 1 1 10 10 ASN CA C 13 55.9409 0.0000 . 1 . . 12126 . . 10 ASN CA . 27450 1 42 . 1 1 10 10 ASN CB C 13 37.8951 0.0000 . 1 . . 11664 . . 10 ASN CB . 27450 1 43 . 1 1 10 10 ASN N N 15 117.0460 0.0000 . 1 . . 12124 . . 10 ASN N . 27450 1 44 . 1 1 11 11 MET H H 1 8.4135 0.0000 . 1 . . 13835 . . 11 MET H . 27450 1 45 . 1 1 11 11 MET C C 13 178.2212 0.0000 . 1 . . 12369 . . 11 MET C . 27450 1 46 . 1 1 11 11 MET CA C 13 59.8052 0.0000 . 1 . . 11637 . . 11 MET CA . 27450 1 47 . 1 1 11 11 MET CB C 13 33.3667 0.0000 . 1 . . 33485 . . 11 MET CB . 27450 1 48 . 1 1 11 11 MET N N 15 121.6008 0.0000 . 1 . . 13837 . . 11 MET N . 27450 1 49 . 1 1 12 12 ALA H H 1 8.5994 0.0000 . 1 . . 11561 . . 12 ALA H . 27450 1 50 . 1 1 12 12 ALA C C 13 180.4640 0.0000 . 1 . . 12339 . . 12 ALA C . 27450 1 51 . 1 1 12 12 ALA CA C 13 55.6998 0.0000 . 1 . . 11562 . . 12 ALA CA . 27450 1 52 . 1 1 12 12 ALA CB C 13 17.9499 0.0000 . 1 . . 11565 . . 12 ALA CB . 27450 1 53 . 1 1 12 12 ALA N N 15 122.6243 0.0000 . 1 . . 11563 . . 12 ALA N . 27450 1 54 . 1 1 13 13 ARG H H 1 8.6111 0.0000 . 1 . . 11693 . . 13 ARG H . 27450 1 55 . 1 1 13 13 ARG C C 13 178.2883 0.0000 . 1 . . 12414 . . 13 ARG C . 27450 1 56 . 1 1 13 13 ARG CA C 13 60.0524 0.0000 . 1 . . 12768 . . 13 ARG CA . 27450 1 57 . 1 1 13 13 ARG CB C 13 30.5303 0.0000 . 1 . . 11724 . . 13 ARG CB . 27450 1 58 . 1 1 13 13 ARG N N 15 121.0828 0.0000 . 1 . . 11695 . . 13 ARG N . 27450 1 59 . 1 1 14 14 PHE H H 1 8.5494 0.0000 . 1 . . 13826 . . 14 PHE H . 27450 1 60 . 1 1 14 14 PHE C C 13 178.2175 0.0000 . 1 . . 35136 . . 14 PHE C . 27450 1 61 . 1 1 14 14 PHE CA C 13 60.5702 0.0000 . 1 . . 11595 . . 14 PHE CA . 27450 1 62 . 1 1 14 14 PHE CB C 13 39.0193 0.0000 . 1 . . 11622 . . 14 PHE CB . 27450 1 63 . 1 1 14 14 PHE N N 15 121.8967 0.0000 . 1 . . 13828 . . 14 PHE N . 27450 1 64 . 1 1 15 15 ILE H H 1 8.7611 0.0000 . 1 . . 13862 . . 15 ILE H . 27450 1 65 . 1 1 15 15 ILE C C 13 178.0133 0.0000 . 1 . . 12426 . . 15 ILE C . 27450 1 66 . 1 1 15 15 ILE CA C 13 66.2594 0.0000 . 1 . . 11769 . . 15 ILE CA . 27450 1 67 . 1 1 15 15 ILE CB C 13 38.2388 0.0000 . 1 . . 11778 . . 15 ILE CB . 27450 1 68 . 1 1 15 15 ILE N N 15 120.4185 0.0000 . 1 . . 13864 . . 15 ILE N . 27450 1 69 . 1 1 16 16 ARG H H 1 7.7618 0.0000 . 1 . . 11897 . . 16 ARG H . 27450 1 70 . 1 1 16 16 ARG C C 13 178.3603 0.0000 . 1 . . 12486 . . 16 ARG C . 27450 1 71 . 1 1 16 16 ARG CA C 13 60.6904 0.0000 . 1 . . 11901 . . 16 ARG CA . 27450 1 72 . 1 1 16 16 ARG CB C 13 30.0062 0.0000 . 1 . . 11916 . . 16 ARG CB . 27450 1 73 . 1 1 16 16 ARG N N 15 119.7236 0.0000 . 1 . . 11899 . . 16 ARG N . 27450 1 74 . 1 1 17 17 SER H H 1 8.3232 0.0000 . 1 . . 12152 . . 17 SER H . 27450 1 75 . 1 1 17 17 SER C C 13 177.2354 0.0000 . 1 . . 33617 . . 17 SER C . 27450 1 76 . 1 1 17 17 SER CA C 13 61.9594 0.0000 . 1 . . 12939 . . 17 SER CA . 27450 1 77 . 1 1 17 17 SER CB C 13 62.8537 0.0000 . 1 . . 12141 . . 17 SER CB . 27450 1 78 . 1 1 17 17 SER N N 15 116.5826 0.0000 . 1 . . 12154 . . 17 SER N . 27450 1 79 . 1 1 18 18 GLN H H 1 8.7586 0.0000 . 1 . . 11585 . . 18 GLN H . 27450 1 80 . 1 1 18 18 GLN C C 13 178.9144 0.0000 . 1 . . 12348 . . 18 GLN C . 27450 1 81 . 1 1 18 18 GLN CA C 13 58.6593 0.0000 . 1 . . 11583 . . 18 GLN CA . 27450 1 82 . 1 1 18 18 GLN CB C 13 29.1814 0.0000 . 1 . . 11586 . . 18 GLN CB . 27450 1 83 . 1 1 18 18 GLN N N 15 122.0457 0.0000 . 1 . . 11587 . . 18 GLN N . 27450 1 84 . 1 1 19 19 THR H H 1 8.2810 0.0000 . 1 . . 12230 . . 19 THR H . 27450 1 85 . 1 1 19 19 THR C C 13 175.8557 0.0000 . 1 . . 33588 . . 19 THR C . 27450 1 86 . 1 1 19 19 THR CA C 13 66.3436 0.0000 . 1 . . 12978 . . 19 THR CA . 27450 1 87 . 1 1 19 19 THR CB C 13 69.1835 0.0000 . 1 . . 12225 . . 19 THR CB . 27450 1 88 . 1 1 19 19 THR N N 15 109.4858 0.0000 . 1 . . 12232 . . 19 THR N . 27450 1 89 . 1 1 20 20 LEU H H 1 7.1663 0.0000 . 1 . . 11534 . . 20 LEU H . 27450 1 90 . 1 1 20 20 LEU C C 13 178.7568 0.0000 . 1 . . 12330 . . 20 LEU C . 27450 1 91 . 1 1 20 20 LEU CA C 13 57.4904 0.0000 . 1 . . 12690 . . 20 LEU CA . 27450 1 92 . 1 1 20 20 LEU CB C 13 41.4425 0.0000 . 1 . . 11547 . . 20 LEU CB . 27450 1 93 . 1 1 20 20 LEU N N 15 122.9653 0.0000 . 1 . . 11536 . . 20 LEU N . 27450 1 94 . 1 1 21 21 THR H H 1 7.8824 0.0000 . 1 . . 12083 . . 21 THR H . 27450 1 95 . 1 1 21 21 THR C C 13 176.6254 0.0000 . 1 . . 12570 . . 21 THR C . 27450 1 96 . 1 1 21 21 THR CA C 13 66.4749 0.0000 . 1 . . 12075 . . 21 THR CA . 27450 1 97 . 1 1 21 21 THR CB C 13 68.5701 0.0000 . 1 . . 12072 . . 21 THR CB . 27450 1 98 . 1 1 21 21 THR N N 15 118.0381 0.0000 . 1 . . 12085 . . 21 THR N . 27450 1 99 . 1 1 22 22 LEU H H 1 8.3362 0.0000 . 1 . . 11573 . . 22 LEU H . 27450 1 100 . 1 1 22 22 LEU C C 13 177.1294 0.0000 . 1 . . 12345 . . 22 LEU C . 27450 1 101 . 1 1 22 22 LEU CA C 13 57.5898 0.0000 . 1 . . 11574 . . 22 LEU CA . 27450 1 102 . 1 1 22 22 LEU CB C 13 40.4344 0.0000 . 1 . . 11577 . . 22 LEU CB . 27450 1 103 . 1 1 22 22 LEU N N 15 122.1625 0.0000 . 1 . . 11575 . . 22 LEU N . 27450 1 104 . 1 1 23 23 LEU H H 1 7.9881 0.0000 . 1 . . 11492 . . 23 LEU H . 27450 1 105 . 1 1 23 23 LEU C C 13 178.1077 0.0000 . 1 . . 12318 . . 23 LEU C . 27450 1 106 . 1 1 23 23 LEU CA C 13 58.8524 0.0000 . 1 . . 11493 . . 23 LEU CA . 27450 1 107 . 1 1 23 23 LEU CB C 13 42.4790 0.0000 . 1 . . 11520 . . 23 LEU CB . 27450 1 108 . 1 1 23 23 LEU N N 15 123.1667 0.0000 . 1 . . 11494 . . 23 LEU N . 27450 1 109 . 1 1 24 24 GLU H H 1 7.6698 0.0000 . 1 . . 12113 . . 24 GLU H . 27450 1 110 . 1 1 24 24 GLU C C 13 179.8680 0.0000 . 1 . . 12579 . . 24 GLU C . 27450 1 111 . 1 1 24 24 GLU CA C 13 59.6188 0.0000 . 1 . . 12921 . . 24 GLU CA . 27450 1 112 . 1 1 24 24 GLU CB C 13 29.2790 0.0000 . 1 . . 12120 . . 24 GLU CB . 27450 1 113 . 1 1 24 24 GLU N N 15 117.5684 0.0000 . 1 . . 12115 . . 24 GLU N . 27450 1 114 . 1 1 25 25 LYS H H 1 7.8798 0.0000 . 1 . . 11957 . . 25 LYS H . 27450 1 115 . 1 1 25 25 LYS C C 13 179.9675 0.0000 . 1 . . 12513 . . 25 LYS C . 27450 1 116 . 1 1 25 25 LYS CA C 13 58.6993 0.0000 . 1 . . 12855 . . 25 LYS CA . 27450 1 117 . 1 1 25 25 LYS CB C 13 31.6608 0.0000 . 1 . . 11958 . . 25 LYS CB . 27450 1 118 . 1 1 25 25 LYS N N 15 119.2246 0.0000 . 1 . . 11959 . . 25 LYS N . 27450 1 119 . 1 1 26 26 LEU H H 1 8.9800 0.0000 . 1 . . 11879 . . 26 LEU H . 27450 1 120 . 1 1 26 26 LEU C C 13 179.2775 0.0000 . 1 . . 12468 . . 26 LEU C . 27450 1 121 . 1 1 26 26 LEU CA C 13 57.9755 0.0000 . 1 . . 12819 . . 26 LEU CA . 27450 1 122 . 1 1 26 26 LEU CB C 13 41.3497 0.0000 . 1 . . 11880 . . 26 LEU CB . 27450 1 123 . 1 1 26 26 LEU N N 15 119.8182 0.0000 . 1 . . 11881 . . 26 LEU N . 27450 1 124 . 1 1 27 27 ASN H H 1 8.5003 0.0000 . 1 . . 13898 . . 27 ASN H . 27450 1 125 . 1 1 27 27 ASN C C 13 179.3345 0.0000 . 1 . . 12537 . . 27 ASN C . 27450 1 126 . 1 1 27 27 ASN CA C 13 55.9982 0.0000 . 1 . . 12876 . . 27 ASN CA . 27450 1 127 . 1 1 27 27 ASN CB C 13 38.2615 0.0000 . 1 . . 12006 . . 27 ASN CB . 27450 1 128 . 1 1 27 27 ASN N N 15 118.6422 0.0000 . 1 . . 13900 . . 27 ASN N . 27450 1 129 . 1 1 28 28 GLU H H 1 8.0011 0.0000 . 1 . . 11660 . . 28 GLU H . 27450 1 130 . 1 1 28 28 GLU C C 13 177.8656 0.0000 . 1 . . 12375 . . 28 GLU C . 27450 1 131 . 1 1 28 28 GLU CA C 13 58.7069 0.0000 . 1 . . 12738 . . 28 GLU CA . 27450 1 132 . 1 1 28 28 GLU CB C 13 29.7028 0.0000 . 1 . . 11667 . . 28 GLU CB . 27450 1 133 . 1 1 28 28 GLU N N 15 121.6505 0.0000 . 1 . . 11662 . . 28 GLU N . 27450 1 134 . 1 1 29 29 LEU H H 1 7.2872 0.0000 . 1 . . 12062 . . 29 LEU H . 27450 1 135 . 1 1 29 29 LEU C C 13 175.7662 0.0000 . 1 . . 12561 . . 29 LEU C . 27450 1 136 . 1 1 29 29 LEU CA C 13 54.6416 0.0000 . 1 . . 12060 . . 29 LEU CA . 27450 1 137 . 1 1 29 29 LEU CB C 13 43.4131 0.0000 . 1 . . 12063 . . 29 LEU CB . 27450 1 138 . 1 1 29 29 LEU N N 15 118.2269 0.0000 . 1 . . 12064 . . 29 LEU N . 27450 1 139 . 1 1 30 30 ASP H H 1 8.1524 0.0000 . 1 . . 32048 . . 30 ASP H . 27450 1 140 . 1 1 30 30 ASP C C 13 175.1735 0.0000 . 1 . . 32067 . . 30 ASP C . 27450 1 141 . 1 1 30 30 ASP CA C 13 55.1083 0.0000 . 1 . . 32082 . . 30 ASP CA . 27450 1 142 . 1 1 30 30 ASP CB C 13 39.1438 0.0000 . 1 . . 32055 . . 30 ASP CB . 27450 1 143 . 1 1 30 30 ASP N N 15 118.3824 0.0000 . 1 . . 32050 . . 30 ASP N . 27450 1 144 . 1 1 31 31 ALA H H 1 7.8973 0.0000 . 1 . . 11543 . . 31 ALA H . 27450 1 145 . 1 1 31 31 ALA C C 13 176.6442 0.0000 . 1 . . 12324 . . 31 ALA C . 27450 1 146 . 1 1 31 31 ALA CA C 13 50.2753 0.0000 . 1 . . 11514 . . 31 ALA CA . 27450 1 147 . 1 1 31 31 ALA CB C 13 17.0933 0.0000 . 1 . . 11529 . . 31 ALA CB . 27450 1 148 . 1 1 31 31 ALA N N 15 123.0350 0.0000 . 1 . . 11545 . . 31 ALA N . 27450 1 149 . 1 1 32 32 ASP H H 1 7.9580 0.0000 . 1 . . 11675 . . 32 ASP H . 27450 1 150 . 1 1 32 32 ASP C C 13 178.0196 0.0000 . 1 . . 12390 . . 32 ASP C . 27450 1 151 . 1 1 32 32 ASP CA C 13 58.4990 0.0000 . 1 . . 12759 . . 32 ASP CA . 27450 1 152 . 1 1 32 32 ASP CB C 13 40.5995 0.0000 . 1 . . 11685 . . 32 ASP CB . 27450 1 153 . 1 1 32 32 ASP N N 15 121.4925 0.0000 . 1 . . 11677 . . 32 ASP N . 27450 1 154 . 1 1 33 33 GLU H H 1 8.9307 0.0000 . 1 . . 11924 . . 33 GLU H . 27450 1 155 . 1 1 33 33 GLU C C 13 178.7968 0.0000 . 1 . . 12564 . . 33 GLU C . 27450 1 156 . 1 1 33 33 GLU CA C 13 59.6898 0.0000 . 1 . . 13734 . . 33 GLU CA . 27450 1 157 . 1 1 33 33 GLU CB C 13 29.0762 0.0000 . 1 . . 13293 . . 33 GLU CB . 27450 1 158 . 1 1 33 33 GLU N N 15 119.6365 0.0000 . 1 . . 11926 . . 33 GLU N . 27450 1 159 . 1 1 34 34 GLN H H 1 7.3697 0.0000 . 1 . . 12077 . . 34 GLN H . 27450 1 160 . 1 1 34 34 GLN C C 13 177.5549 0.0000 . 1 . . 12567 . . 34 GLN C . 27450 1 161 . 1 1 34 34 GLN CA C 13 60.9175 0.0000 . 1 . . 12906 . . 34 GLN CA . 27450 1 162 . 1 1 34 34 GLN CB C 13 27.3576 0.0000 . 1 . . 12093 . . 34 GLN CB . 27450 1 163 . 1 1 34 34 GLN N N 15 117.9983 0.0000 . 1 . . 12079 . . 34 GLN N . 27450 1 164 . 1 1 35 35 ALA H H 1 9.0837 0.0000 . 1 . . 11465 . . 35 ALA H . 27450 1 165 . 1 1 35 35 ALA C C 13 178.8627 0.0000 . 1 . . 12300 . . 35 ALA C . 27450 1 166 . 1 1 35 35 ALA CA C 13 55.7612 0.0000 . 1 . . 12651 . . 35 ALA CA . 27450 1 167 . 1 1 35 35 ALA CB C 13 17.6189 0.0000 . 1 . . 11478 . . 35 ALA CB . 27450 1 168 . 1 1 35 35 ALA N N 15 123.8951 0.0000 . 1 . . 11467 . . 35 ALA N . 27450 1 169 . 1 1 36 36 ASP H H 1 8.0899 0.0000 . 1 . . 12056 . . 36 ASP H . 27450 1 170 . 1 1 36 36 ASP C C 13 179.8565 0.0000 . 1 . . 12552 . . 36 ASP C . 27450 1 171 . 1 1 36 36 ASP CA C 13 57.8853 0.0000 . 1 . . 12888 . . 36 ASP CA . 27450 1 172 . 1 1 36 36 ASP CB C 13 40.5789 0.0000 . 1 . . 12066 . . 36 ASP CB . 27450 1 173 . 1 1 36 36 ASP N N 15 118.2774 0.0000 . 1 . . 12058 . . 36 ASP N . 27450 1 174 . 1 1 37 37 ILE H H 1 7.3782 0.0000 . 1 . . 11882 . . 37 ILE H . 27450 1 175 . 1 1 37 37 ILE C C 13 177.9631 0.0000 . 1 . . 12471 . . 37 ILE C . 27450 1 176 . 1 1 37 37 ILE CA C 13 64.8363 0.0000 . 1 . . 11862 . . 37 ILE CA . 27450 1 177 . 1 1 37 37 ILE CB C 13 38.0667 0.0000 . 1 . . 11889 . . 37 ILE CB . 27450 1 178 . 1 1 37 37 ILE N N 15 119.8969 0.0000 . 1 . . 11884 . . 37 ILE N . 27450 1 179 . 1 1 38 38 CYS H H 1 8.8495 0.0000 . 1 . . 11633 . . 38 CYS H . 27450 1 180 . 1 1 38 38 CYS C C 13 176.0332 0.0000 . 1 . . 12384 . . 38 CYS C . 27450 1 181 . 1 1 38 38 CYS CA C 13 62.4951 0.0000 . 1 . . 11634 . . 38 CYS CA . 27450 1 182 . 1 1 38 38 CYS CB C 13 27.1883 0.0000 . 1 . . 11670 . . 38 CYS CB . 27450 1 183 . 1 1 38 38 CYS N N 15 121.6255 0.0000 . 1 . . 11635 . . 38 CYS N . 27450 1 184 . 1 1 39 39 GLU H H 1 9.1799 0.0000 . 1 . . 11507 . . 39 GLU H . 27450 1 185 . 1 1 39 39 GLU C C 13 178.7409 0.0000 . 1 . . 12315 . . 39 GLU C . 27450 1 186 . 1 1 39 39 GLU CA C 13 60.4758 0.0000 . 1 . . 11508 . . 39 GLU CA . 27450 1 187 . 1 1 39 39 GLU CB C 13 29.1907 0.0000 . 1 . . 11523 . . 39 GLU CB . 27450 1 188 . 1 1 39 39 GLU N N 15 123.0870 0.0000 . 1 . . 11509 . . 39 GLU N . 27450 1 189 . 1 1 40 40 SER H H 1 7.4188 0.0000 . 1 . . 12209 . . 40 SER H . 27450 1 190 . 1 1 40 40 SER C C 13 178.0337 0.0000 . 1 . . 13785 . . 40 SER C . 27450 1 191 . 1 1 40 40 SER CA C 13 61.1379 0.0000 . 1 . . 13593 . . 40 SER CA . 27450 1 192 . 1 1 40 40 SER CB C 13 62.8839 0.0000 . 1 . . 13008 . . 40 SER CB . 27450 1 193 . 1 1 40 40 SER N N 15 114.3281 0.0000 . 1 . . 12211 . . 40 SER N . 27450 1 194 . 1 1 41 41 LEU H H 1 8.9404 0.0000 . 1 . . 11450 . . 41 LEU H . 27450 1 195 . 1 1 41 41 LEU C C 13 178.0641 0.0000 . 1 . . 12294 . . 41 LEU C . 27450 1 196 . 1 1 41 41 LEU CA C 13 58.2449 0.0000 . 1 . . 28213 . . 41 LEU CA . 27450 1 197 . 1 1 41 41 LEU CB C 13 42.2965 0.0000 . 1 . . 11454 . . 41 LEU CB . 27450 1 198 . 1 1 41 41 LEU N N 15 125.0686 0.0000 . 1 . . 11452 . . 41 LEU N . 27450 1 199 . 1 1 42 42 HIS H H 1 8.9222 0.0000 . 1 . . 12845 . . 42 HIS H . 27450 1 200 . 1 1 42 42 HIS C C 13 176.7686 0.0000 . 1 . . 12510 . . 42 HIS C . 27450 1 201 . 1 1 42 42 HIS CA C 13 59.8997 0.0000 . 1 . . 25986 . . 42 HIS CA . 27450 1 202 . 1 1 42 42 HIS CB C 13 27.5788 0.0000 . 1 . . 11940 . . 42 HIS CB . 27450 1 203 . 1 1 42 42 HIS N N 15 119.5139 0.0000 . 1 . . 12847 . . 42 HIS N . 27450 1 204 . 1 1 43 43 ASP H H 1 7.9057 0.0000 . 1 . . 13856 . . 43 ASP H . 27450 1 205 . 1 1 43 43 ASP C C 13 178.6421 0.0000 . 1 . . 12411 . . 43 ASP C . 27450 1 206 . 1 1 43 43 ASP CA C 13 57.7893 0.0000 . 1 . . 11715 . . 43 ASP CA . 27450 1 207 . 1 1 43 43 ASP CB C 13 40.0533 0.0000 . 1 . . 11721 . . 43 ASP CB . 27450 1 208 . 1 1 43 43 ASP N N 15 121.0618 0.0000 . 1 . . 13858 . . 43 ASP N . 27450 1 209 . 1 1 44 44 HIS H H 1 8.4454 0.0000 . 1 . . 11549 . . 44 HIS H . 27450 1 210 . 1 1 44 44 HIS C C 13 177.4473 0.0000 . 1 . . 12333 . . 44 HIS C . 27450 1 211 . 1 1 44 44 HIS CA C 13 56.8444 0.0000 . 1 . . 12693 . . 44 HIS CA . 27450 1 212 . 1 1 44 44 HIS CB C 13 31.0096 0.0000 . 1 . . 11556 . . 44 HIS CB . 27450 1 213 . 1 1 44 44 HIS N N 15 122.9048 0.0000 . 1 . . 11551 . . 44 HIS N . 27450 1 214 . 1 1 45 45 ALA H H 1 9.1613 0.0000 . 1 . . 11498 . . 45 ALA H . 27450 1 215 . 1 1 45 45 ALA C C 13 180.8945 0.0000 . 1 . . 12312 . . 45 ALA C . 27450 1 216 . 1 1 45 45 ALA CA C 13 54.6768 0.0000 . 1 . . 11499 . . 45 ALA CA . 27450 1 217 . 1 1 45 45 ALA CB C 13 17.9229 0.0000 . 1 . . 11502 . . 45 ALA CB . 27450 1 218 . 1 1 45 45 ALA N N 15 123.1859 0.0000 . 1 . . 11500 . . 45 ALA N . 27450 1 219 . 1 1 46 46 ASP H H 1 8.6489 0.0000 . 1 . . 11612 . . 46 ASP H . 27450 1 220 . 1 1 46 46 ASP C C 13 177.1492 0.0000 . 1 . . 12360 . . 46 ASP C . 27450 1 221 . 1 1 46 46 ASP CA C 13 58.2849 0.0000 . 1 . . 12723 . . 46 ASP CA . 27450 1 222 . 1 1 46 46 ASP CB C 13 42.1159 0.0000 . 1 . . 11613 . . 46 ASP CB . 27450 1 223 . 1 1 46 46 ASP N N 15 121.9236 0.0000 . 1 . . 11614 . . 46 ASP N . 27450 1 224 . 1 1 47 47 GLU H H 1 8.1742 0.0000 . 1 . . 11756 . . 47 GLU H . 27450 1 225 . 1 1 47 47 GLU C C 13 180.2083 0.0000 . 1 . . 12420 . . 47 GLU C . 27450 1 226 . 1 1 47 47 GLU CA C 13 59.8084 0.0000 . 1 . . 12783 . . 47 GLU CA . 27450 1 227 . 1 1 47 47 GLU CB C 13 29.1156 0.0000 . 1 . . 11760 . . 47 GLU CB . 27450 1 228 . 1 1 47 47 GLU N N 15 120.6965 0.0000 . 1 . . 11758 . . 47 GLU N . 27450 1 229 . 1 1 48 48 LEU H H 1 8.0938 0.0000 . 1 . . 11969 . . 48 LEU H . 27450 1 230 . 1 1 48 48 LEU C C 13 178.5214 0.0000 . 1 . . 12525 . . 48 LEU C . 27450 1 231 . 1 1 48 48 LEU CA C 13 58.2139 0.0000 . 1 . . 12864 . . 48 LEU CA . 27450 1 232 . 1 1 48 48 LEU CB C 13 40.3607 0.0000 . 1 . . 11976 . . 48 LEU CB . 27450 1 233 . 1 1 48 48 LEU N N 15 118.8520 0.0000 . 1 . . 11971 . . 48 LEU N . 27450 1 234 . 1 1 49 49 TYR H H 1 8.7115 0.0000 . 1 . . 11738 . . 49 TYR H . 27450 1 235 . 1 1 49 49 TYR C C 13 176.2608 0.0000 . 1 . . 12417 . . 49 TYR C . 27450 1 236 . 1 1 49 49 TYR CA C 13 62.2422 0.0000 . 1 . . 12777 . . 49 TYR CA . 27450 1 237 . 1 1 49 49 TYR CB C 13 38.1188 0.0000 . 1 . . 11739 . . 49 TYR CB . 27450 1 238 . 1 1 49 49 TYR N N 15 120.9517 0.0000 . 1 . . 11740 . . 49 TYR N . 27450 1 239 . 1 1 50 50 ARG H H 1 8.9176 0.0000 . 1 . . 12098 . . 50 ARG H . 27450 1 240 . 1 1 50 50 ARG C C 13 179.1997 0.0000 . 1 . . 12573 . . 50 ARG C . 27450 1 241 . 1 1 50 50 ARG CA C 13 60.1811 0.0000 . 1 . . 12918 . . 50 ARG CA . 27450 1 242 . 1 1 50 50 ARG CB C 13 29.8772 0.0000 . 1 . . 12105 . . 50 ARG CB . 27450 1 243 . 1 1 50 50 ARG N N 15 117.7261 0.0000 . 1 . . 12100 . . 50 ARG N . 27450 1 244 . 1 1 51 51 SER H H 1 7.8759 0.0000 . 1 . . 13946 . . 51 SER H . 27450 1 245 . 1 1 51 51 SER C C 13 179.1981 0.0000 . 1 . . 12606 . . 51 SER C . 27450 1 246 . 1 1 51 51 SER CA C 13 61.4002 0.0000 . 1 . . 12198 . . 51 SER CA . 27450 1 247 . 1 1 51 51 SER CB C 13 63.7551 0.0000 . 1 . . 12195 . . 51 SER CB . 27450 1 248 . 1 1 51 51 SER N N 15 114.6249 0.0000 . 1 . . 13948 . . 51 SER N . 27450 1 249 . 1 1 52 52 CYS H H 1 8.4479 0.0000 . 1 . . 13931 . . 52 CYS H . 27450 1 250 . 1 1 52 52 CYS C C 13 175.7856 0.0000 . 1 . . 12585 . . 52 CYS C . 27450 1 251 . 1 1 52 52 CYS CA C 13 64.2311 0.0000 . 1 . . 12132 . . 52 CYS CA . 27450 1 252 . 1 1 52 52 CYS CB C 13 27.3954 0.0000 . 1 . . 12138 . . 52 CYS CB . 27450 1 253 . 1 1 52 52 CYS N N 15 116.7050 0.0000 . 1 . . 13933 . . 52 CYS N . 27450 1 254 . 1 1 53 53 LEU H H 1 8.8398 0.0000 . 1 . . 11489 . . 53 LEU H . 27450 1 255 . 1 1 53 53 LEU C C 13 179.2442 0.0000 . 1 . . 12306 . . 53 LEU C . 27450 1 256 . 1 1 53 53 LEU CA C 13 58.1299 0.0000 . 1 . . 12657 . . 53 LEU CA . 27450 1 257 . 1 1 53 53 LEU CB C 13 42.1242 0.0000 . 1 . . 11484 . . 53 LEU CB . 27450 1 258 . 1 1 53 53 LEU N N 15 123.6400 0.0000 . 1 . . 11491 . . 53 LEU N . 27450 1 259 . 1 1 54 54 ALA H H 1 7.4919 0.0000 . 1 . . 11906 . . 54 ALA H . 27450 1 260 . 1 1 54 54 ALA C C 13 178.6220 0.0000 . 1 . . 12459 . . 54 ALA C . 27450 1 261 . 1 1 54 54 ALA CA C 13 54.4255 0.0000 . 1 . . 12810 . . 54 ALA CA . 27450 1 262 . 1 1 54 54 ALA CB C 13 17.9939 0.0000 . 1 . . 11850 . . 54 ALA CB . 27450 1 263 . 1 1 54 54 ALA N N 15 120.0638 0.0000 . 1 . . 11908 . . 54 ALA N . 27450 1 264 . 1 1 55 55 ARG H H 1 7.1055 0.0000 . 1 . . 12158 . . 55 ARG H . 27450 1 265 . 1 1 55 55 ARG C C 13 177.6702 0.0000 . 1 . . 12594 . . 55 ARG C . 27450 1 266 . 1 1 55 55 ARG CA C 13 57.6970 0.0000 . 1 . . 12945 . . 55 ARG CA . 27450 1 267 . 1 1 55 55 ARG CB C 13 31.1939 0.0000 . 1 . . 12165 . . 55 ARG CB . 27450 1 268 . 1 1 55 55 ARG N N 15 116.4646 0.0000 . 1 . . 12160 . . 55 ARG N . 27450 1 269 . 1 1 56 56 PHE H H 1 8.6008 0.0000 . 1 . . 12191 . . 56 PHE H . 27450 1 270 . 1 1 56 56 PHE C C 13 177.0251 0.0000 . 1 . . 12603 . . 56 PHE C . 27450 1 271 . 1 1 56 56 PHE CA C 13 55.9123 0.0000 . 1 . . 12960 . . 56 PHE CA . 27450 1 272 . 1 1 56 56 PHE CB C 13 40.1534 0.0000 . 1 . . 12189 . . 56 PHE CB . 27450 1 273 . 1 1 56 56 PHE N N 15 114.9948 0.0000 . 1 . . 12193 . . 56 PHE N . 27450 1 274 . 1 1 57 57 GLY H H 1 7.9144 0.0000 . 1 . . 12287 . . 57 GLY H . 27450 1 275 . 1 1 57 57 GLY C C 13 172.5378 0.0000 . 1 . . 12639 . . 57 GLY C . 27450 1 276 . 1 1 57 57 GLY CA C 13 45.2458 0.0000 . 1 . . 13005 . . 57 GLY CA . 27450 1 277 . 1 1 57 57 GLY N N 15 108.2516 0.0000 . 1 . . 12289 . . 57 GLY N . 27450 1 278 . 1 1 58 58 ASP H H 1 8.2509 0.0000 . 1 . . 11987 . . 58 ASP H . 27450 1 279 . 1 1 58 58 ASP C C 13 176.3399 0.0000 . 1 . . 12531 . . 58 ASP C . 27450 1 280 . 1 1 58 58 ASP CA C 13 53.7619 0.0000 . 1 . . 11985 . . 58 ASP CA . 27450 1 281 . 1 1 58 58 ASP CB C 13 42.0394 0.0000 . 1 . . 11991 . . 58 ASP CB . 27450 1 282 . 1 1 58 58 ASP N N 15 118.8213 0.0000 . 1 . . 11989 . . 58 ASP N . 27450 1 283 . 1 1 59 59 ASP H H 1 8.4971 0.0000 . 1 . . 11648 . . 59 ASP H . 27450 1 284 . 1 1 59 59 ASP C C 13 177.0415 0.0000 . 1 . . 12378 . . 59 ASP C . 27450 1 285 . 1 1 59 59 ASP CA C 13 54.5389 0.0000 . 1 . . 12747 . . 59 ASP CA . 27450 1 286 . 1 1 59 59 ASP CB C 13 41.1248 0.0000 . 1 . . 11658 . . 59 ASP CB . 27450 1 287 . 1 1 59 59 ASP N N 15 121.5684 0.0000 . 1 . . 11650 . . 59 ASP N . 27450 1 288 . 1 1 60 60 GLY H H 1 8.5178 0.0000 . 1 . . 12290 . . 60 GLY H . 27450 1 289 . 1 1 60 60 GLY C C 13 174.4431 0.0000 . 1 . . 12618 . . 60 GLY C . 27450 1 290 . 1 1 60 60 GLY CA C 13 45.7073 0.0000 . 1 . . 12291 . . 60 GLY CA . 27450 1 291 . 1 1 60 60 GLY N N 15 109.2844 0.0000 . 1 . . 12292 . . 60 GLY N . 27450 1 292 . 1 1 61 61 GLU H H 1 8.2144 0.0000 . 1 . . 11783 . . 61 GLU H . 27450 1 293 . 1 1 61 61 GLU C C 13 176.1661 0.0000 . 1 . . 12447 . . 61 GLU C . 27450 1 294 . 1 1 61 61 GLU CA C 13 56.6040 0.0000 . 1 . . 12801 . . 61 GLU CA . 27450 1 295 . 1 1 61 61 GLU CB C 13 30.4539 0.0000 . 1 . . 11838 . . 61 GLU CB . 27450 1 296 . 1 1 61 61 GLU N N 15 120.1076 0.0000 . 1 . . 11785 . . 61 GLU N . 27450 1 297 . 1 1 62 62 ASN H H 1 8.5326 0.0000 . 1 . . 12839 . . 62 ASN H . 27450 1 298 . 1 1 62 62 ASN C C 13 174.0001 0.0000 . 1 . . 12480 . . 62 ASN C . 27450 1 299 . 1 1 62 62 ASN CA C 13 53.3733 0.0000 . 1 . . 12828 . . 62 ASN CA . 27450 1 300 . 1 1 62 62 ASN CB C 13 39.0987 0.0000 . 1 . . 11886 . . 62 ASN CB . 27450 1 301 . 1 1 62 62 ASN N N 15 119.7702 0.0000 . 1 . . 12841 . . 62 ASN N . 27450 1 302 . 1 1 63 63 LEU H H 1 7.8420 0.0000 . 1 . . 12248 . . 63 LEU H . 27450 1 303 . 1 1 63 63 LEU C C 13 173.0194 0.0000 . 1 . . 12627 . . 63 LEU C . 27450 1 304 . 1 1 63 63 LEU CA C 13 56.7981 0.0000 . 1 . . 12249 . . 63 LEU CA . 27450 1 305 . 1 1 63 63 LEU CB C 13 43.4148 0.0000 . 1 . . 12255 . . 63 LEU CB . 27450 1 306 . 1 1 63 63 LEU N N 15 127.7811 0.0000 . 1 . . 12250 . . 63 LEU N . 27450 1 stop_ save_