################################### # 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_AP180_M5_Backbone_Assigned_Chem_Shift_List _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode AP180_M5_Backbone_Assigned_Chem_Shift_List _Assigned_chem_shift_list.Entry_ID 17048 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $AP180_M5_Sample_Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Chemical_Shift_Reference _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' . . . 17048 1 2 '3D HNCA' . . . 17048 1 3 '3D HNCACB' . . . 17048 1 4 '3D CBCA(CO)NH' . . . 17048 1 5 '3D HNCO' . . . 17048 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 1 1 ALA C C 13 176.52 0.1 . 1 . . . . 623 ALA C . 17048 1 2 . 1 1 1 1 ALA CA C 13 52.63 0.1 . 1 . . . . 623 ALA CA . 17048 1 3 . 1 1 1 1 ALA CB C 13 19.22 0.1 . 1 . . . . 623 ALA CB . 17048 1 4 . 1 1 2 2 SER C C 13 172.88 0.1 . 1 . . . . 624 SER C . 17048 1 5 . 1 1 2 2 SER CA C 13 55.73 0.1 . 1 . . . . 624 SER CA . 17048 1 6 . 1 1 2 2 SER CB C 13 64.39 0.1 . 1 . . . . 624 SER CB . 17048 1 7 . 1 1 3 3 THR C C 13 174.17 0.1 . 1 . . . . 625 THR C . 17048 1 8 . 1 1 3 3 THR CA C 13 61.76 0.1 . 1 . . . . 625 THR CA . 17048 1 9 . 1 1 3 3 THR CB C 13 69.65 0.1 . 1 . . . . 625 THR CB . 17048 1 10 . 1 1 4 4 ALA H H 1 8.21 0.05 . 1 . . . . 626 ALA H . 17048 1 11 . 1 1 4 4 ALA HA H 1 4.37 0.05 . 1 . . . . 626 ALA HA . 17048 1 12 . 1 1 4 4 ALA C C 13 177.38 0.1 . 1 . . . . 626 ALA C . 17048 1 13 . 1 1 4 4 ALA CA C 13 52.47 0.1 . 1 . . . . 626 ALA CA . 17048 1 14 . 1 1 4 4 ALA CB C 13 19.35 0.1 . 1 . . . . 626 ALA CB . 17048 1 15 . 1 1 4 4 ALA N N 15 126.39 0.2 . 1 . . . . 626 ALA N . 17048 1 16 . 1 1 5 5 SER H H 1 8.27 0.05 . 1 . . . . 627 SER H . 17048 1 17 . 1 1 5 5 SER HA H 1 4.73 0.05 . 1 . . . . 627 SER HA . 17048 1 18 . 1 1 5 5 SER CA C 13 56.50 0.1 . 1 . . . . 627 SER CA . 17048 1 19 . 1 1 5 5 SER CB C 13 63.46 0.1 . 1 . . . . 627 SER CB . 17048 1 20 . 1 1 5 5 SER N N 15 116.81 0.2 . 1 . . . . 627 SER N . 17048 1 21 . 1 1 6 6 PRO C C 13 174.25 0.1 . 1 . . . . 628 PRO C . 17048 1 22 . 1 1 6 6 PRO CA C 13 63.31 0.1 . 1 . . . . 628 PRO CA . 17048 1 23 . 1 1 6 6 PRO CB C 13 32.06 0.1 . 1 . . . . 628 PRO CB . 17048 1 24 . 1 1 7 7 ALA H H 1 8.31 0.05 . 1 . . . . 629 ALA H . 17048 1 25 . 1 1 7 7 ALA HA H 1 4.63 0.05 . 1 . . . . 629 ALA HA . 17048 1 26 . 1 1 7 7 ALA C C 13 177.70 0.1 . 1 . . . . 629 ALA C . 17048 1 27 . 1 1 7 7 ALA CA C 13 52.48 0.1 . 1 . . . . 629 ALA CA . 17048 1 28 . 1 1 7 7 ALA CB C 13 19.07 0.1 . 1 . . . . 629 ALA CB . 17048 1 29 . 1 1 7 7 ALA N N 15 124.32 0.2 . 1 . . . . 629 ALA N . 17048 1 30 . 1 1 8 8 LYS H H 1 8.23 0.05 . 1 . . . . 630 LYS H . 17048 1 31 . 1 1 8 8 LYS HA H 1 4.28 0.05 . 1 . . . . 630 LYS HA . 17048 1 32 . 1 1 8 8 LYS C C 13 176.25 0.1 . 1 . . . . 630 LYS C . 17048 1 33 . 1 1 8 8 LYS CA C 13 56.19 0.1 . 1 . . . . 630 LYS CA . 17048 1 34 . 1 1 8 8 LYS CB C 13 33.28 0.1 . 1 . . . . 630 LYS CB . 17048 1 35 . 1 1 8 8 LYS N N 15 120.89 0.2 . 1 . . . . 630 LYS N . 17048 1 36 . 1 1 9 9 ALA H H 1 8.35 0.05 . 1 . . . . 631 ALA H . 17048 1 37 . 1 1 9 9 ALA HA H 1 4.35 0.05 . 1 . . . . 631 ALA HA . 17048 1 38 . 1 1 9 9 ALA C C 13 177.78 0.1 . 1 . . . . 631 ALA C . 17048 1 39 . 1 1 9 9 ALA CA C 13 52.48 0.1 . 1 . . . . 631 ALA CA . 17048 1 40 . 1 1 9 9 ALA CB C 13 19.07 0.1 . 1 . . . . 631 ALA CB . 17048 1 41 . 1 1 9 9 ALA N N 15 125.87 0.2 . 1 . . . . 631 ALA N . 17048 1 42 . 1 1 10 10 GLU H H 1 8.45 0.05 . 1 . . . . 632 GLU H . 17048 1 43 . 1 1 10 10 GLU HA H 1 4.29 0.05 . 1 . . . . 632 GLU HA . 17048 1 44 . 1 1 10 10 GLU C C 13 176.70 0.1 . 1 . . . . 632 GLU C . 17048 1 45 . 1 1 10 10 GLU CA C 13 56.81 0.1 . 1 . . . . 632 GLU CA . 17048 1 46 . 1 1 10 10 GLU CB C 13 30.20 0.1 . 1 . . . . 632 GLU CB . 17048 1 47 . 1 1 10 10 GLU N N 15 120.51 0.2 . 1 . . . . 632 GLU N . 17048 1 48 . 1 1 11 11 SER H H 1 8.32 0.05 . 1 . . . . 633 SER H . 17048 1 49 . 1 1 11 11 SER CA C 13 58.36 0.1 . 1 . . . . 633 SER CA . 17048 1 50 . 1 1 11 11 SER CB C 13 63.93 0.1 . 1 . . . . 633 SER CB . 17048 1 51 . 1 1 11 11 SER N N 15 116.63 0.2 . 1 . . . . 633 SER N . 17048 1 52 . 1 1 12 12 SER C C 13 174.97 0.1 . 1 . . . . 634 SER C . 17048 1 53 . 1 1 12 12 SER CA C 13 58.67 0.1 . 1 . . . . 634 SER CA . 17048 1 54 . 1 1 12 12 SER CB C 13 63.93 0.1 . 1 . . . . 634 SER CB . 17048 1 55 . 1 1 13 13 GLY H H 1 8.40 0.05 . 1 . . . . 635 GLY H . 17048 1 56 . 1 1 13 13 GLY HA2 H 1 3.94 0.05 . 1 . . . . 635 GLY HA2 . 17048 1 57 . 1 1 13 13 GLY HA3 H 1 3.94 0.05 . 1 . . . . 635 GLY HA3 . 17048 1 58 . 1 1 13 13 GLY C C 13 173.86 0.1 . 1 . . . . 635 GLY C . 17048 1 59 . 1 1 13 13 GLY CA C 13 45.67 0.1 . 1 . . . . 635 GLY CA . 17048 1 60 . 1 1 13 13 GLY N N 15 110.92 0.2 . 1 . . . . 635 GLY N . 17048 1 61 . 1 1 14 14 VAL H H 1 7.95 0.05 . 1 . . . . 636 VAL H . 17048 1 62 . 1 1 14 14 VAL HA H 1 4.13 0.05 . 1 . . . . 636 VAL HA . 17048 1 63 . 1 1 14 14 VAL C C 13 176.13 0.1 . 1 . . . . 636 VAL C . 17048 1 64 . 1 1 14 14 VAL CA C 13 62.53 0.1 . 1 . . . . 636 VAL CA . 17048 1 65 . 1 1 14 14 VAL CB C 13 32.84 0.1 . 1 . . . . 636 VAL CB . 17048 1 66 . 1 1 14 14 VAL N N 15 119.73 0.2 . 1 . . . . 636 VAL N . 17048 1 67 . 1 1 15 15 ILE H H 1 8.16 0.05 . 1 . . . . 637 ILE H . 17048 1 68 . 1 1 15 15 ILE HA H 1 4.17 0.05 . 1 . . . . 637 ILE HA . 17048 1 69 . 1 1 15 15 ILE C C 13 175.62 0.1 . 1 . . . . 637 ILE C . 17048 1 70 . 1 1 15 15 ILE CA C 13 61.14 0.1 . 1 . . . . 637 ILE CA . 17048 1 71 . 1 1 15 15 ILE CB C 13 39.02 0.1 . 1 . . . . 637 ILE CB . 17048 1 72 . 1 1 15 15 ILE N N 15 124.64 0.2 . 1 . . . . 637 ILE N . 17048 1 73 . 1 1 16 16 ASP H H 1 8.33 0.05 . 1 . . . . 638 ASP H . 17048 1 74 . 1 1 16 16 ASP HA H 1 4.59 0.05 . 1 . . . . 638 ASP HA . 17048 1 75 . 1 1 16 16 ASP C C 13 176.00 0.1 . 1 . . . . 638 ASP C . 17048 1 76 . 1 1 16 16 ASP CA C 13 54.18 0.1 . 1 . . . . 638 ASP CA . 17048 1 77 . 1 1 16 16 ASP CB C 13 41.31 0.1 . 1 . . . . 638 ASP CB . 17048 1 78 . 1 1 16 16 ASP N N 15 124.82 0.2 . 1 . . . . 638 ASP N . 17048 1 79 . 1 1 17 17 LEU H H 1 8.10 0.05 . 1 . . . . 639 LEU H . 17048 1 80 . 1 1 17 17 LEU HA H 1 4.16 0.05 . 1 . . . . 639 LEU HA . 17048 1 81 . 1 1 17 17 LEU C C 13 177.22 0.1 . 1 . . . . 639 LEU C . 17048 1 82 . 1 1 17 17 LEU CA C 13 55.73 0.1 . 1 . . . . 639 LEU CA . 17048 1 83 . 1 1 17 17 LEU CB C 13 42.26 0.1 . 1 . . . . 639 LEU CB . 17048 1 84 . 1 1 17 17 LEU N N 15 123.25 0.2 . 1 . . . . 639 LEU N . 17048 1 85 . 1 1 18 18 PHE H H 1 8.21 0.05 . 1 . . . . 640 PHE H . 17048 1 86 . 1 1 18 18 PHE HA H 1 4.64 0.05 . 1 . . . . 640 PHE HA . 17048 1 87 . 1 1 18 18 PHE C C 13 176.42 0.1 . 1 . . . . 640 PHE C . 17048 1 88 . 1 1 18 18 PHE CA C 13 57.89 0.1 . 1 . . . . 640 PHE CA . 17048 1 89 . 1 1 18 18 PHE CB C 13 39.64 0.1 . 1 . . . . 640 PHE CB . 17048 1 90 . 1 1 18 18 PHE N N 15 119.34 0.2 . 1 . . . . 640 PHE N . 17048 1 91 . 1 1 19 19 GLY H H 1 8.17 0.05 . 1 . . . . 641 GLY H . 17048 1 92 . 1 1 19 19 GLY HA2 H 1 3.93 0.05 . 1 . . . . 641 GLY HA2 . 17048 1 93 . 1 1 19 19 GLY HA3 H 1 3.93 0.05 . 1 . . . . 641 GLY HA3 . 17048 1 94 . 1 1 19 19 GLY C C 13 173.99 0.1 . 1 . . . . 641 GLY C . 17048 1 95 . 1 1 19 19 GLY CA C 13 45.69 0.1 . 1 . . . . 641 GLY CA . 17048 1 96 . 1 1 19 19 GLY N N 15 109.83 0.2 . 1 . . . . 641 GLY N . 17048 1 97 . 1 1 20 20 ASP H H 1 8.22 0.05 . 1 . . . . 642 ASP H . 17048 1 98 . 1 1 20 20 ASP HA H 1 4.58 0.05 . 1 . . . . 642 ASP HA . 17048 1 99 . 1 1 20 20 ASP C C 13 176.39 0.1 . 1 . . . . 642 ASP C . 17048 1 100 . 1 1 20 20 ASP CA C 13 54.49 0.1 . 1 . . . . 642 ASP CA . 17048 1 101 . 1 1 20 20 ASP CB C 13 41.50 0.1 . 1 . . . . 642 ASP CB . 17048 1 102 . 1 1 20 20 ASP N N 15 120.71 0.2 . 1 . . . . 642 ASP N . 17048 1 103 . 1 1 21 21 ALA H H 1 8.21 0.05 . 1 . . . . 643 ALA H . 17048 1 104 . 1 1 21 21 ALA HA H 1 4.23 0.05 . 1 . . . . 643 ALA HA . 17048 1 105 . 1 1 21 21 ALA C C 13 177.77 0.1 . 1 . . . . 643 ALA C . 17048 1 106 . 1 1 21 21 ALA CA C 13 52.94 0.1 . 1 . . . . 643 ALA CA . 17048 1 107 . 1 1 21 21 ALA CB C 13 18.76 0.1 . 1 . . . . 643 ALA CB . 17048 1 108 . 1 1 21 21 ALA N N 15 123.84 0.2 . 1 . . . . 643 ALA N . 17048 1 109 . 1 1 22 22 PHE H H 1 8.16 0.05 . 1 . . . . 644 PHE H . 17048 1 110 . 1 1 22 22 PHE HA H 1 4.57 0.05 . 1 . . . . 644 PHE HA . 17048 1 111 . 1 1 22 22 PHE C C 13 176.60 0.1 . 1 . . . . 644 PHE C . 17048 1 112 . 1 1 22 22 PHE CA C 13 58.20 0.1 . 1 . . . . 644 PHE CA . 17048 1 113 . 1 1 22 22 PHE CB C 13 39.49 0.1 . 1 . . . . 644 PHE CB . 17048 1 114 . 1 1 22 22 PHE N N 15 118.60 0.2 . 1 . . . . 644 PHE N . 17048 1 115 . 1 1 23 23 GLY H H 1 8.20 0.05 . 1 . . . . 645 GLY H . 17048 1 116 . 1 1 23 23 GLY HA2 H 1 3.95 0.05 . 1 . . . . 645 GLY HA2 . 17048 1 117 . 1 1 23 23 GLY HA3 H 1 3.95 0.05 . 1 . . . . 645 GLY HA2 . 17048 1 118 . 1 1 23 23 GLY C C 13 174.41 0.1 . 1 . . . . 645 GLY C . 17048 1 119 . 1 1 23 23 GLY CA C 13 45.67 0.1 . 1 . . . . 645 GLY CA . 17048 1 120 . 1 1 23 23 GLY N N 15 110.34 0.2 . 1 . . . . 645 GLY N . 17048 1 121 . 1 1 24 24 SER H H 1 8.27 0.05 . 1 . . . . 646 SER H . 17048 1 122 . 1 1 24 24 SER HA H 1 4.45 0.05 . 1 . . . . 646 SER HA . 17048 1 123 . 1 1 24 24 SER C C 13 175.25 0.1 . 1 . . . . 646 SER C . 17048 1 124 . 1 1 24 24 SER CA C 13 58.82 0.1 . 1 . . . . 646 SER CA . 17048 1 125 . 1 1 24 24 SER CB C 13 64.08 0.1 . 1 . . . . 646 SER CB . 17048 1 126 . 1 1 24 24 SER N N 15 115.86 0.2 . 1 . . . . 646 SER N . 17048 1 127 . 1 1 25 25 GLY H H 1 8.49 0.05 . 1 . . . . 647 GLY H . 17048 1 128 . 1 1 25 25 GLY HA2 H 1 3.94 0.05 . 1 . . . . 647 GLY HA2 . 17048 1 129 . 1 1 25 25 GLY C C 13 173.98 0.1 . 1 . . . . 647 GLY C . 17048 1 130 . 1 1 25 25 GLY CA C 13 45.52 0.1 . 1 . . . . 647 GLY CA . 17048 1 131 . 1 1 25 25 GLY N N 15 111.12 0.2 . 1 . . . . 647 GLY N . 17048 1 132 . 1 1 26 26 ALA H H 1 8.11 0.05 . 1 . . . . 648 ALA H . 17048 1 133 . 1 1 26 26 ALA HA H 1 4.37 0.05 . 1 . . . . 648 ALA HA . 17048 1 134 . 1 1 26 26 ALA C C 13 177.84 0.1 . 1 . . . . 648 ALA C . 17048 1 135 . 1 1 26 26 ALA CA C 13 52.48 0.1 . 1 . . . . 648 ALA CA . 17048 1 136 . 1 1 26 26 ALA CB C 13 19.20 0.1 . 1 . . . . 648 ALA CB . 17048 1 137 . 1 1 26 26 ALA N N 15 123.88 0.2 . 1 . . . . 648 ALA N . 17048 1 138 . 1 1 27 27 SER H H 1 8.29 0.05 . 1 . . . . 649 SER H . 17048 1 139 . 1 1 27 27 SER HA H 1 4.43 0.05 . 1 . . . . 649 SER HA . 17048 1 140 . 1 1 27 27 SER C C 13 174.68 0.1 . 1 . . . . 649 SER C . 17048 1 141 . 1 1 27 27 SER CA C 13 58.67 0.1 . 1 . . . . 649 SER CA . 17048 1 142 . 1 1 27 27 SER CB C 13 63.93 0.1 . 1 . . . . 649 SER CB . 17048 1 143 . 1 1 27 27 SER N N 15 115.12 0.2 . 1 . . . . 649 SER N . 17048 1 144 . 1 1 28 28 GLU H H 1 8.45 0.05 . 1 . . . . 650 GLU H . 17048 1 145 . 1 1 28 28 GLU HA H 1 4.36 0.05 . 1 . . . . 650 GLU HA . 17048 1 146 . 1 1 28 28 GLU C C 13 176.64 0.1 . 1 . . . . 650 GLU C . 17048 1 147 . 1 1 28 28 GLU CA C 13 56.97 0.1 . 1 . . . . 650 GLU CA . 17048 1 148 . 1 1 28 28 GLU CB C 13 30.36 0.1 . 1 . . . . 650 GLU CB . 17048 1 149 . 1 1 28 28 GLU N N 15 122.69 0.2 . 1 . . . . 650 GLU N . 17048 1 150 . 1 1 29 29 THR H H 1 8.16 0.05 . 1 . . . . 651 THR H . 17048 1 151 . 1 1 29 29 THR HA H 1 4.34 0.05 . 1 . . . . 651 THR HA . 17048 1 152 . 1 1 29 29 THR CA C 13 61.91 0.1 . 1 . . . . 651 THR CA . 17048 1 153 . 1 1 29 29 THR CB C 13 69.96 0.1 . 1 . . . . 651 THR CB . 17048 1 154 . 1 1 29 29 THR N N 15 115.09 0.2 . 1 . . . . 651 THR N . 17048 1 155 . 1 1 30 30 GLN H H 1 8.32 0.05 . 1 . . . . 652 GLN H . 17048 1 156 . 1 1 30 30 GLN HA H 1 4.63 0.05 . 1 . . . . 652 GLN HA . 17048 1 157 . 1 1 30 30 GLN C C 13 177.67 0.1 . 1 . . . . 652 GLN C . 17048 1 158 . 1 1 30 30 GLN CA C 13 53.72 0.1 . 1 . . . . 652 GLN CA . 17048 1 159 . 1 1 30 30 GLN CB C 13 28.97 0.1 . 1 . . . . 652 GLN CB . 17048 1 160 . 1 1 30 30 GLN N N 15 124.06 0.2 . 1 . . . . 652 GLN N . 17048 1 161 . 1 1 31 31 PRO C C 13 176.22 0.1 . 1 . . . . 653 PRO C . 17048 1 162 . 1 1 31 31 PRO CA C 13 62.53 0.1 . 1 . . . . 653 PRO CA . 17048 1 163 . 1 1 31 31 PRO CB C 13 34.23 0.1 . 1 . . . . 653 PRO CB . 17048 1 164 . 1 1 32 32 ALA H H 1 8.39 0.05 . 1 . . . . 654 ALA H . 17048 1 165 . 1 1 32 32 ALA HA H 1 4.57 0.05 . 1 . . . . 654 ALA HA . 17048 1 166 . 1 1 32 32 ALA CA C 13 50.78 0.1 . 1 . . . . 654 ALA CA . 17048 1 167 . 1 1 32 32 ALA CB C 13 17.98 0.1 . 1 . . . . 654 ALA CB . 17048 1 168 . 1 1 32 32 ALA N N 15 125.81 0.2 . 1 . . . . 654 ALA N . 17048 1 169 . 1 1 33 33 PRO C C 13 176.99 0.1 . 1 . . . . 655 PRO C . 17048 1 170 . 1 1 33 33 PRO CA C 13 63.31 0.1 . 1 . . . . 655 PRO CA . 17048 1 171 . 1 1 33 33 PRO CB C 13 32.06 0.1 . 1 . . . . 655 PRO CB . 17048 1 172 . 1 1 34 34 GLN H H 1 8.41 0.05 . 1 . . . . 656 GLN H . 17048 1 173 . 1 1 34 34 GLN HA H 1 4.28 0.05 . 1 . . . . 656 GLN HA . 17048 1 174 . 1 1 34 34 GLN CA C 13 55.88 0.1 . 1 . . . . 656 GLN CA . 17048 1 175 . 1 1 34 34 GLN CB C 13 29.74 0.1 . 1 . . . . 656 GLN CB . 17048 1 176 . 1 1 34 34 GLN N N 15 120.39 0.2 . 1 . . . . 656 GLN N . 17048 1 177 . 1 1 35 35 ALA H H 1 8.33 0.05 . 1 . . . . 657 ALA H . 17048 1 178 . 1 1 35 35 ALA HA H 1 4.34 0.05 . 1 . . . . 657 ALA HA . 17048 1 179 . 1 1 35 35 ALA C C 13 177.67 0.1 . 1 . . . . 657 ALA C . 17048 1 180 . 1 1 35 35 ALA CA C 13 52.63 0.1 . 1 . . . . 657 ALA CA . 17048 1 181 . 1 1 35 35 ALA CB C 13 19.07 0.1 . 1 . . . . 657 ALA CB . 17048 1 182 . 1 1 35 35 ALA N N 15 125.83 0.2 . 1 . . . . 657 ALA N . 17048 1 183 . 1 1 36 36 VAL H H 1 8.13 0.05 . 1 . . . . 658 VAL H . 17048 1 184 . 1 1 36 36 VAL HA H 1 4.16 0.05 . 1 . . . . 658 VAL HA . 17048 1 185 . 1 1 36 36 VAL C C 13 176.31 0.1 . 1 . . . . 658 VAL C . 17048 1 186 . 1 1 36 36 VAL CA C 13 62.23 0.1 . 1 . . . . 658 VAL CA . 17048 1 187 . 1 1 36 36 VAL CB C 13 33.14 0.1 . 1 . . . . 658 VAL CB . 17048 1 188 . 1 1 36 36 VAL N N 15 119.45 0.2 . 1 . . . . 658 VAL N . 17048 1 189 . 1 1 37 37 SER H H 1 8.40 0.05 . 1 . . . . 659 SER H . 17048 1 190 . 1 1 37 37 SER CA C 13 58.20 0.1 . 1 . . . . 659 SER CA . 17048 1 191 . 1 1 37 37 SER CB C 13 64.08 0.1 . 1 . . . . 659 SER CB . 17048 1 192 . 1 1 37 37 SER N N 15 119.49 0.2 . 1 . . . . 659 SER N . 17048 1 193 . 1 1 41 41 ALA C C 13 177.90 0.1 . 1 . . . . 663 ALA C . 17048 1 194 . 1 1 41 41 ALA CA C 13 52.79 0.1 . 1 . . . . 663 ALA CA . 17048 1 195 . 1 1 41 41 ALA CB C 13 19.22 0.1 . 1 . . . . 663 ALA CB . 17048 1 196 . 1 1 42 42 SER H H 1 8.16 0.05 . 1 . . . . 664 SER H . 17048 1 197 . 1 1 42 42 SER HA H 1 4.40 0.05 . 1 . . . . 664 SER HA . 17048 1 198 . 1 1 42 42 SER C C 13 174.77 0.1 . 1 . . . . 664 SER C . 17048 1 199 . 1 1 42 42 SER CA C 13 58.82 0.1 . 1 . . . . 664 SER CA . 17048 1 200 . 1 1 42 42 SER CB C 13 63.93 0.1 . 1 . . . . 664 SER CB . 17048 1 201 . 1 1 42 42 SER N N 15 114.84 0.2 . 1 . . . . 664 SER N . 17048 1 202 . 1 1 43 43 ALA H H 1 8.28 0.05 . 1 . . . . 665 ALA H . 17048 1 203 . 1 1 43 43 ALA HA H 1 4.25 0.05 . 1 . . . . 665 ALA HA . 17048 1 204 . 1 1 43 43 ALA C C 13 177.90 0.1 . 1 . . . . 665 ALA C . 17048 1 205 . 1 1 43 43 ALA CA C 13 53.25 0.1 . 1 . . . . 665 ALA CA . 17048 1 206 . 1 1 43 43 ALA CB C 13 18.91 0.1 . 1 . . . . 665 ALA CB . 17048 1 207 . 1 1 43 43 ALA N N 15 125.99 0.2 . 1 . . . . 665 ALA N . 17048 1 208 . 1 1 44 44 ASP H H 1 8.19 0.05 . 1 . . . . 666 ASP H . 17048 1 209 . 1 1 44 44 ASP HA H 1 4.52 0.05 . 1 . . . . 666 ASP HA . 17048 1 210 . 1 1 44 44 ASP CA C 13 54.95 0.1 . 1 . . . . 666 ASP CA . 17048 1 211 . 1 1 44 44 ASP CB C 13 41.03 0.1 . 1 . . . . 666 ASP CB . 17048 1 212 . 1 1 44 44 ASP N N 15 118.81 0.2 . 1 . . . . 666 ASP N . 17048 1 213 . 1 1 45 45 LEU H H 1 7.99 0.05 . 1 . . . . 667 LEU H . 17048 1 214 . 1 1 45 45 LEU HA H 1 4.25 0.05 . 1 . . . . 667 LEU HA . 17048 1 215 . 1 1 45 45 LEU C C 13 177.93 0.1 . 1 . . . . 667 LEU C . 17048 1 216 . 1 1 45 45 LEU CA C 13 56.04 0.1 . 1 . . . . 667 LEU CA . 17048 1 217 . 1 1 45 45 LEU CB C 13 42.27 0.1 . 1 . . . . 667 LEU CB . 17048 1 218 . 1 1 45 45 LEU N N 15 122.30 0.2 . 1 . . . . 667 LEU N . 17048 1 219 . 1 1 46 46 LEU H H 1 8.05 0.05 . 1 . . . . 668 LEU H . 17048 1 220 . 1 1 46 46 LEU HA H 1 4.29 0.05 . 1 . . . . 668 LEU HA . 17048 1 221 . 1 1 46 46 LEU C C 13 177.52 0.1 . 1 . . . . 668 LEU C . 17048 1 222 . 1 1 46 46 LEU CA C 13 55.88 0.1 . 1 . . . . 668 LEU CA . 17048 1 223 . 1 1 46 46 LEU CB C 13 42.12 0.1 . 1 . . . . 668 LEU CB . 17048 1 224 . 1 1 46 46 LEU N N 15 121.12 0.2 . 1 . . . . 668 LEU N . 17048 1 225 . 1 1 47 47 ALA H H 1 7.95 0.05 . 1 . . . . 669 ALA H . 17048 1 226 . 1 1 47 47 ALA HA H 1 4.24 0.05 . 1 . . . . 669 ALA HA . 17048 1 227 . 1 1 47 47 ALA C C 13 178.27 0.1 . 1 . . . . 669 ALA C . 17048 1 228 . 1 1 47 47 ALA CA C 13 53.10 0.1 . 1 . . . . 669 ALA CA . 17048 1 229 . 1 1 47 47 ALA CB C 13 18.91 0.1 . 1 . . . . 669 ALA CB . 17048 1 230 . 1 1 47 47 ALA N N 15 123.66 0.2 . 1 . . . . 669 ALA N . 17048 1 231 . 1 1 48 48 GLY H H 1 8.13 0.05 . 1 . . . . 670 GLY H . 17048 1 232 . 1 1 48 48 GLY HA2 H 1 3.85 0.05 . 1 . . . . 670 GLY HA2 . 17048 1 233 . 1 1 48 48 GLY HA3 H 1 3.85 0.05 . 1 . . . . 670 GLY HA3 . 17048 1 234 . 1 1 48 48 GLY C C 13 174.21 0.1 . 1 . . . . 670 GLY C . 17048 1 235 . 1 1 48 48 GLY CA C 13 45.36 0.1 . 1 . . . . 670 GLY CA . 17048 1 236 . 1 1 48 48 GLY N N 15 107.42 0.2 . 1 . . . . 670 GLY N . 17048 1 237 . 1 1 49 49 PHE H H 1 8.05 0.05 . 1 . . . . 671 PHE H . 17048 1 238 . 1 1 49 49 PHE HA H 1 4.62 0.05 . 1 . . . . 671 PHE HA . 17048 1 239 . 1 1 49 49 PHE C C 13 176.52 0.1 . 1 . . . . 671 PHE C . 17048 1 240 . 1 1 49 49 PHE CA C 13 58.05 0.1 . 1 . . . . 671 PHE CA . 17048 1 241 . 1 1 49 49 PHE CB C 13 39.64 0.1 . 1 . . . . 671 PHE CB . 17048 1 242 . 1 1 49 49 PHE N N 15 119.98 0.2 . 1 . . . . 671 PHE N . 17048 1 243 . 1 1 50 50 GLY H H 1 8.40 0.05 . 1 . . . . 672 GLY H . 17048 1 244 . 1 1 50 50 GLY HA2 H 1 3.93 0.05 . 1 . . . . 672 GLY HA2 . 17048 1 245 . 1 1 50 50 GLY HA3 H 1 3.93 0.05 . 1 . . . . 672 GLY HA3 . 17048 1 246 . 1 1 50 50 GLY C C 13 174.66 0.1 . 1 . . . . 672 GLY C . 17048 1 247 . 1 1 50 50 GLY CA C 13 45.50 0.1 . 1 . . . . 672 GLY CA . 17048 1 248 . 1 1 50 50 GLY N N 15 110.95 0.2 . 1 . . . . 672 GLY N . 17048 1 249 . 1 1 51 51 GLY H H 1 7.96 0.05 . 1 . . . . 673 GLY H . 17048 1 250 . 1 1 51 51 GLY HA2 H 1 3.94 0.05 . 1 . . . . 673 GLY HA2 . 17048 1 251 . 1 1 51 51 GLY HA3 H 1 3.94 0.05 . 1 . . . . 673 GLY HA3 . 17048 1 252 . 1 1 51 51 GLY C C 13 174.13 0.1 . 1 . . . . 673 GLY C . 17048 1 253 . 1 1 51 51 GLY CA C 13 45.45 0.1 . 1 . . . . 673 GLY CA . 17048 1 254 . 1 1 51 51 GLY N N 15 108.39 0.2 . 1 . . . . 673 GLY N . 17048 1 255 . 1 1 52 52 SER C C 13 174.10 0.1 . 1 . . . . 674 SER C . 17048 1 256 . 1 1 52 52 SER CA C 13 58.13 0.1 . 1 . . . . 674 SER CA . 17048 1 257 . 1 1 52 52 SER CB C 13 63.85 0.1 . 1 . . . . 674 SER CB . 17048 1 258 . 1 1 53 53 PHE H H 1 8.20 0.05 . 1 . . . . 675 PHE H . 17048 1 259 . 1 1 53 53 PHE HA H 1 4.64 0.05 . 1 . . . . 675 PHE HA . 17048 1 260 . 1 1 53 53 PHE C C 13 175.28 0.1 . 1 . . . . 675 PHE C . 17048 1 261 . 1 1 53 53 PHE CA C 13 58.13 0.1 . 1 . . . . 675 PHE CA . 17048 1 262 . 1 1 53 53 PHE CB C 13 39.72 0.1 . 1 . . . . 675 PHE CB . 17048 1 263 . 1 1 53 53 PHE N N 15 122.20 0.2 . 1 . . . . 675 PHE N . 17048 1 264 . 1 1 54 54 MET H H 1 8.06 0.05 . 1 . . . . 676 MET H . 17048 1 265 . 1 1 54 54 MET C C 13 174.90 0.1 . 1 . . . . 676 MET C . 17048 1 266 . 1 1 54 54 MET CA C 13 54.95 0.1 . 1 . . . . 676 MET CA . 17048 1 267 . 1 1 54 54 MET CB C 13 33.30 0.1 . 1 . . . . 676 MET CB . 17048 1 268 . 1 1 54 54 MET N N 15 122.42 0.2 . 1 . . . . 676 MET N . 17048 1 269 . 1 1 55 55 ALA H H 1 8.17 0.05 . 1 . . . . 677 ALA H . 17048 1 270 . 1 1 55 55 ALA C C 13 179.24 0.1 . 1 . . . . 677 ALA C . 17048 1 271 . 1 1 55 55 ALA CA C 13 50.62 0.1 . 1 . . . . 677 ALA CA . 17048 1 272 . 1 1 55 55 ALA CB C 13 18.14 0.1 . 1 . . . . 677 ALA CB . 17048 1 273 . 1 1 55 55 ALA N N 15 126.88 0.2 . 1 . . . . 677 ALA N . 17048 1 274 . 1 1 56 56 PRO C C 13 177.03 0.1 . 1 . . . . 678 PRO C . 17048 1 275 . 1 1 56 56 PRO CA C 13 63.08 0.1 . 1 . . . . 678 PRO CA . 17048 1 276 . 1 1 56 56 PRO CB C 13 31.98 0.1 . 1 . . . . 678 PRO CB . 17048 1 277 . 1 1 57 57 SER H H 1 8.45 0.05 . 1 . . . . 679 SER H . 17048 1 278 . 1 1 57 57 SER HA H 1 4.47 0.05 . 1 . . . . 679 SER HA . 17048 1 279 . 1 1 57 57 SER C C 13 175.09 0.1 . 1 . . . . 679 SER C . 17048 1 280 . 1 1 57 57 SER CA C 13 58.36 0.1 . 1 . . . . 679 SER CA . 17048 1 281 . 1 1 57 57 SER CB C 13 63.93 0.1 . 1 . . . . 679 SER CB . 17048 1 282 . 1 1 57 57 SER N N 15 116.19 0.2 . 1 . . . . 679 SER N . 17048 1 283 . 1 1 58 58 THR H H 1 8.16 0.05 . 1 . . . . 680 THR H . 17048 1 284 . 1 1 58 58 THR HA H 1 4.33 0.05 . 1 . . . . 680 THR HA . 17048 1 285 . 1 1 58 58 THR C C 13 174.46 0.1 . 1 . . . . 680 THR C . 17048 1 286 . 1 1 58 58 THR CA C 13 62.23 0.1 . 1 . . . . 680 THR CA . 17048 1 287 . 1 1 58 58 THR CB C 13 69.96 0.1 . 1 . . . . 680 THR CB . 17048 1 288 . 1 1 58 58 THR N N 15 115.64 0.2 . 1 . . . . 680 THR N . 17048 1 stop_ save_