################################### # 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 17915 _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 hNcnH' . . . 17915 1 2 '2D hncNH-G' . . . 17915 1 3 '2D hncNH-A' . . . 17915 1 4 '2D hncNH-ST' . . . 17915 1 5 '2D cbcacoNH' . . . 17915 1 6 '2D HnCO' . . . 17915 1 7 '2D hnCOcanH' . . . 17915 1 8 2D-HncoCA . . . 17915 1 9 '2D hncoCAnH' . . . 17915 1 10 '2D-(HN)NH-G, A, ST' . . . 17915 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 2 2 ASP H H 1 8.738 0.02 . 1 . . . A 2 ASP H . 17915 1 2 . 1 1 2 2 ASP C C 13 175.703 0.30 . 1 . . . A 2 ASP C . 17915 1 3 . 1 1 2 2 ASP CA C 13 54.041 0.30 . 1 . . . A 2 ASP CA . 17915 1 4 . 1 1 2 2 ASP N N 15 123.22 0.30 . 1 . . . A 2 ASP N . 17915 1 5 . 1 1 3 3 GLU H H 1 8.57 0.02 . 1 . . . A 3 GLU H . 17915 1 6 . 1 1 3 3 GLU C C 13 176.48 0.30 . 1 . . . A 3 GLU C . 17915 1 7 . 1 1 3 3 GLU CA C 13 56.128 0.30 . 1 . . . A 3 GLU CA . 17915 1 8 . 1 1 3 3 GLU N N 15 121.895 0.30 . 1 . . . A 3 GLU N . 17915 1 9 . 1 1 4 4 THR H H 1 8.176 0.02 . 1 . . . A 4 THR H . 17915 1 10 . 1 1 4 4 THR C C 13 175.417 0.30 . 1 . . . A 4 THR C . 17915 1 11 . 1 1 4 4 THR CA C 13 62.685 0.30 . 1 . . . A 4 THR CA . 17915 1 12 . 1 1 4 4 THR N N 15 114.607 0.30 . 1 . . . A 4 THR N . 17915 1 13 . 1 1 5 5 GLY H H 1 8.344 0.02 . 1 . . . A 5 GLY H . 17915 1 14 . 1 1 5 5 GLY C C 13 173.777 0.30 . 1 . . . A 5 GLY C . 17915 1 15 . 1 1 5 5 GLY CA C 13 45.56 0.30 . 1 . . . A 5 GLY CA . 17915 1 16 . 1 1 5 5 GLY N N 15 111.43 0.30 . 1 . . . A 5 GLY N . 17915 1 17 . 1 1 6 6 LYS H H 1 7.903 0.02 . 1 . . . A 6 LYS H . 17915 1 18 . 1 1 6 6 LYS C C 13 176.049 0.30 . 1 . . . A 6 LYS C . 17915 1 19 . 1 1 6 6 LYS CA C 13 55.914 0.30 . 1 . . . A 6 LYS CA . 17915 1 20 . 1 1 6 6 LYS N N 15 119.85 0.30 . 1 . . . A 6 LYS N . 17915 1 21 . 1 1 7 7 GLU H H 1 8.562 0.02 . 1 . . . A 7 GLU H . 17915 1 22 . 1 1 7 7 GLU C C 13 174.172 0.30 . 1 . . . A 7 GLU C . 17915 1 23 . 1 1 7 7 GLU CA C 13 55.459 0.30 . 1 . . . A 7 GLU CA . 17915 1 24 . 1 1 7 7 GLU N N 15 123.025 0.30 . 1 . . . A 7 GLU N . 17915 1 25 . 1 1 8 8 LEU H H 1 8.292 0.02 . 1 . . . A 8 LEU H . 17915 1 26 . 1 1 8 8 LEU C C 13 177.495 0.30 . 1 . . . A 8 LEU C . 17915 1 27 . 1 1 8 8 LEU CA C 13 53.425 0.30 . 1 . . . A 8 LEU CA . 17915 1 28 . 1 1 8 8 LEU N N 15 123.147 0.30 . 1 . . . A 8 LEU N . 17915 1 29 . 1 1 9 9 VAL H H 1 9.051 0.02 . 1 . . . A 9 VAL H . 17915 1 30 . 1 1 9 9 VAL CA C 13 57.894 0.30 . 1 . . . A 9 VAL CA . 17915 1 31 . 1 1 9 9 VAL N N 15 111.799 0.30 . 1 . . . A 9 VAL N . 17915 1 32 . 1 1 10 10 LEU H H 1 8.864 0.02 . 1 . . . A 10 LEU H . 17915 1 33 . 1 1 10 10 LEU C C 13 176.729 0.30 . 1 . . . A 10 LEU C . 17915 1 34 . 1 1 10 10 LEU CA C 13 52.489 0.30 . 1 . . . A 10 LEU CA . 17915 1 35 . 1 1 10 10 LEU N N 15 123.127 0.30 . 1 . . . A 10 LEU N . 17915 1 36 . 1 1 11 11 ALA H H 1 8.988 0.02 . 1 . . . A 11 ALA H . 17915 1 37 . 1 1 11 11 ALA C C 13 178.406 0.30 . 1 . . . A 11 ALA C . 17915 1 38 . 1 1 11 11 ALA CA C 13 52.515 0.30 . 1 . . . A 11 ALA CA . 17915 1 39 . 1 1 11 11 ALA N N 15 126.907 0.30 . 1 . . . A 11 ALA N . 17915 1 40 . 1 1 12 12 LEU H H 1 9.136 0.02 . 1 . . . A 12 LEU H . 17915 1 41 . 1 1 12 12 LEU C C 13 175.046 0.30 . 1 . . . A 12 LEU C . 17915 1 42 . 1 1 12 12 LEU CA C 13 55.727 0.30 . 1 . . . A 12 LEU CA . 17915 1 43 . 1 1 12 12 LEU N N 15 127.694 0.30 . 1 . . . A 12 LEU N . 17915 1 44 . 1 1 13 13 TYR H H 1 6.979 0.02 . 1 . . . A 13 TYR H . 17915 1 45 . 1 1 13 13 TYR C C 13 173.844 0.30 . 1 . . . A 13 TYR C . 17915 1 46 . 1 1 13 13 TYR CA C 13 54.656 0.30 . 1 . . . A 13 TYR CA . 17915 1 47 . 1 1 13 13 TYR N N 15 111.415 0.30 . 1 . . . A 13 TYR N . 17915 1 48 . 1 1 14 14 ASP H H 1 8.26 0.02 . 1 . . . A 14 ASP H . 17915 1 49 . 1 1 14 14 ASP C C 13 176.14 0.30 . 1 . . . A 14 ASP C . 17915 1 50 . 1 1 14 14 ASP CA C 13 54.522 0.30 . 1 . . . A 14 ASP CA . 17915 1 51 . 1 1 14 14 ASP N N 15 117.591 0.30 . 1 . . . A 14 ASP N . 17915 1 52 . 1 1 15 15 TYR H H 1 8.58 0.02 . 1 . . . A 15 TYR H . 17915 1 53 . 1 1 15 15 TYR C C 13 172.859 0.30 . 1 . . . A 15 TYR C . 17915 1 54 . 1 1 15 15 TYR CA C 13 59.661 0.30 . 1 . . . A 15 TYR CA . 17915 1 55 . 1 1 15 15 TYR N N 15 119.917 0.30 . 1 . . . A 15 TYR N . 17915 1 56 . 1 1 16 16 GLN H H 1 7.45 0.02 . 1 . . . A 16 GLN H . 17915 1 57 . 1 1 16 16 GLN C C 13 176.377 0.30 . 1 . . . A 16 GLN C . 17915 1 58 . 1 1 16 16 GLN CA C 13 53.666 0.30 . 1 . . . A 16 GLN CA . 17915 1 59 . 1 1 16 16 GLN N N 15 127.024 0.30 . 1 . . . A 16 GLN N . 17915 1 60 . 1 1 17 17 GLU H H 1 7.899 0.02 . 1 . . . A 17 GLU H . 17915 1 61 . 1 1 17 17 GLU C C 13 176.14 0.30 . 1 . . . A 17 GLU C . 17915 1 62 . 1 1 17 17 GLU CA C 13 56.075 0.30 . 1 . . . A 17 GLU CA . 17915 1 63 . 1 1 17 17 GLU N N 15 122.837 0.30 . 1 . . . A 17 GLU N . 17915 1 64 . 1 1 18 18 LYS H H 1 8.649 0.02 . 1 . . . A 18 LYS H . 17915 1 65 . 1 1 18 18 LYS C C 13 176.267 0.30 . 1 . . . A 18 LYS C . 17915 1 66 . 1 1 18 18 LYS CA C 13 55.245 0.30 . 1 . . . A 18 LYS CA . 17915 1 67 . 1 1 18 18 LYS N N 15 120.622 0.30 . 1 . . . A 18 LYS N . 17915 1 68 . 1 1 19 19 SER H H 1 7.552 0.02 . 1 . . . A 19 SER H . 17915 1 69 . 1 1 19 19 SER CA C 13 56.824 0.30 . 1 . . . A 19 SER CA . 17915 1 70 . 1 1 19 19 SER N N 15 115.184 0.30 . 1 . . . A 19 SER N . 17915 1 71 . 1 1 21 21 ARG H H 1 7.596 0.02 . 1 . . . A 21 ARG H . 17915 1 72 . 1 1 21 21 ARG C C 13 176.638 0.30 . 1 . . . A 21 ARG C . 17915 1 73 . 1 1 21 21 ARG CA C 13 56.208 0.30 . 1 . . . A 21 ARG CA . 17915 1 74 . 1 1 21 21 ARG N N 15 113.44 0.30 . 1 . . . A 21 ARG N . 17915 1 75 . 1 1 22 22 GLU H H 1 7.746 0.02 . 1 . . . A 22 GLU H . 17915 1 76 . 1 1 22 22 GLU C C 13 174.5 0.30 . 1 . . . A 22 GLU C . 17915 1 77 . 1 1 22 22 GLU CA C 13 55.352 0.30 . 1 . . . A 22 GLU CA . 17915 1 78 . 1 1 22 22 GLU N N 15 121.392 0.30 . 1 . . . A 22 GLU N . 17915 1 79 . 1 1 23 23 VAL H H 1 7.318 0.02 . 1 . . . A 23 VAL H . 17915 1 80 . 1 1 23 23 VAL C C 13 172.337 0.30 . 1 . . . A 23 VAL C . 17915 1 81 . 1 1 23 23 VAL CA C 13 59.875 0.30 . 1 . . . A 23 VAL CA . 17915 1 82 . 1 1 23 23 VAL N N 15 114.115 0.30 . 1 . . . A 23 VAL N . 17915 1 83 . 1 1 24 24 THR H H 1 7.324 0.02 . 1 . . . A 24 THR H . 17915 1 84 . 1 1 24 24 THR C C 13 174.451 0.30 . 1 . . . A 24 THR C . 17915 1 85 . 1 1 24 24 THR CA C 13 61.641 0.30 . 1 . . . A 24 THR CA . 17915 1 86 . 1 1 24 24 THR N N 15 118.996 0.30 . 1 . . . A 24 THR N . 17915 1 87 . 1 1 25 25 MET H H 1 9.432 0.02 . 1 . . . A 25 MET H . 17915 1 88 . 1 1 25 25 MET C C 13 173.931 0.30 . 1 . . . A 25 MET C . 17915 1 89 . 1 1 25 25 MET CA C 13 54.389 0.30 . 1 . . . A 25 MET CA . 17915 1 90 . 1 1 25 25 MET N N 15 121.901 0.30 . 1 . . . A 25 MET N . 17915 1 91 . 1 1 26 26 LYS H H 1 8.634 0.02 . 1 . . . A 26 LYS H . 17915 1 92 . 1 1 26 26 LYS C C 13 175.002 0.30 . 1 . . . A 26 LYS C . 17915 1 93 . 1 1 26 26 LYS CA C 13 53.666 0.30 . 1 . . . A 26 LYS CA . 17915 1 94 . 1 1 26 26 LYS N N 15 124.169 0.30 . 1 . . . A 26 LYS N . 17915 1 95 . 1 1 27 27 LYS H H 1 8.919 0.02 . 1 . . . A 27 LYS H . 17915 1 96 . 1 1 27 27 LYS C C 13 177.318 0.30 . 1 . . . A 27 LYS C . 17915 1 97 . 1 1 27 27 LYS CA C 13 58.644 0.30 . 1 . . . A 27 LYS CA . 17915 1 98 . 1 1 27 27 LYS N N 15 122.603 0.30 . 1 . . . A 27 LYS N . 17915 1 99 . 1 1 28 28 GLY H H 1 8.732 0.02 . 1 . . . A 28 GLY H . 17915 1 100 . 1 1 28 28 GLY C C 13 174.193 0.30 . 1 . . . A 28 GLY C . 17915 1 101 . 1 1 28 28 GLY CA C 13 44.888 0.30 . 1 . . . A 28 GLY CA . 17915 1 102 . 1 1 28 28 GLY N N 15 115.585 0.30 . 1 . . . A 28 GLY N . 17915 1 103 . 1 1 29 29 ASP H H 1 8.388 0.02 . 1 . . . A 29 ASP H . 17915 1 104 . 1 1 29 29 ASP C C 13 174.281 0.30 . 1 . . . A 29 ASP C . 17915 1 105 . 1 1 29 29 ASP CA C 13 55.486 0.30 . 1 . . . A 29 ASP CA . 17915 1 106 . 1 1 29 29 ASP N N 15 121.77 0.30 . 1 . . . A 29 ASP N . 17915 1 107 . 1 1 30 30 ILE H H 1 8.033 0.02 . 1 . . . A 30 ILE H . 17915 1 108 . 1 1 30 30 ILE C C 13 176.356 0.30 . 1 . . . A 30 ILE C . 17915 1 109 . 1 1 30 30 ILE CA C 13 60.249 0.30 . 1 . . . A 30 ILE CA . 17915 1 110 . 1 1 30 30 ILE N N 15 120.469 0.30 . 1 . . . A 30 ILE N . 17915 1 111 . 1 1 31 31 LEU H H 1 9.223 0.02 . 1 . . . A 31 LEU H . 17915 1 112 . 1 1 31 31 LEU C C 13 175.745 0.30 . 1 . . . A 31 LEU C . 17915 1 113 . 1 1 31 31 LEU CA C 13 53.907 0.30 . 1 . . . A 31 LEU CA . 17915 1 114 . 1 1 31 31 LEU N N 15 127.129 0.30 . 1 . . . A 31 LEU N . 17915 1 115 . 1 1 32 32 THR H H 1 8.36 0.02 . 1 . . . A 32 THR H . 17915 1 116 . 1 1 32 32 THR C C 13 173.844 0.30 . 1 . . . A 32 THR C . 17915 1 117 . 1 1 32 32 THR CA C 13 63.247 0.30 . 1 . . . A 32 THR CA . 17915 1 118 . 1 1 32 32 THR N N 15 117.055 0.30 . 1 . . . A 32 THR N . 17915 1 119 . 1 1 33 33 LEU H H 1 8.937 0.02 . 1 . . . A 33 LEU H . 17915 1 120 . 1 1 33 33 LEU C C 13 174.718 0.30 . 1 . . . A 33 LEU C . 17915 1 121 . 1 1 33 33 LEU CA C 13 54.87 0.30 . 1 . . . A 33 LEU CA . 17915 1 122 . 1 1 33 33 LEU N N 15 128.815 0.30 . 1 . . . A 33 LEU N . 17915 1 123 . 1 1 34 34 LEU H H 1 8.929 0.02 . 1 . . . A 34 LEU H . 17915 1 124 . 1 1 34 34 LEU C C 13 177.689 0.30 . 1 . . . A 34 LEU C . 17915 1 125 . 1 1 34 34 LEU CA C 13 55.218 0.30 . 1 . . . A 34 LEU CA . 17915 1 126 . 1 1 34 34 LEU N N 15 126.23 0.30 . 1 . . . A 34 LEU N . 17915 1 127 . 1 1 35 35 ASN H H 1 7.489 0.02 . 1 . . . A 35 ASN H . 17915 1 128 . 1 1 35 35 ASN C C 13 174.565 0.30 . 1 . . . A 35 ASN C . 17915 1 129 . 1 1 35 35 ASN CA C 13 54.576 0.30 . 1 . . . A 35 ASN CA . 17915 1 130 . 1 1 35 35 ASN N N 15 113.879 0.30 . 1 . . . A 35 ASN N . 17915 1 131 . 1 1 36 36 SER H H 1 9.086 0.02 . 1 . . . A 36 SER H . 17915 1 132 . 1 1 36 36 SER C C 13 173.503 0.30 . 1 . . . A 36 SER C . 17915 1 133 . 1 1 36 36 SER CA C 13 56.904 0.30 . 1 . . . A 36 SER CA . 17915 1 134 . 1 1 36 36 SER N N 15 123.684 0.30 . 1 . . . A 36 SER N . 17915 1 135 . 1 1 37 37 THR H H 1 8.071 0.02 . 1 . . . A 37 THR H . 17915 1 136 . 1 1 37 37 THR C C 13 175.417 0.30 . 1 . . . A 37 THR C . 17915 1 137 . 1 1 37 37 THR CA C 13 65.521 0.30 . 1 . . . A 37 THR CA . 17915 1 138 . 1 1 37 37 THR N N 15 115.012 0.30 . 1 . . . A 37 THR N . 17915 1 139 . 1 1 38 38 ASN H H 1 8.595 0.02 . 1 . . . A 38 ASN H . 17915 1 140 . 1 1 38 38 ASN C C 13 174.696 0.30 . 1 . . . A 38 ASN C . 17915 1 141 . 1 1 38 38 ASN CA C 13 53.479 0.30 . 1 . . . A 38 ASN CA . 17915 1 142 . 1 1 38 38 ASN N N 15 122.517 0.30 . 1 . . . A 38 ASN N . 17915 1 143 . 1 1 39 39 LYS H H 1 8.416 0.02 . 1 . . . A 39 LYS H . 17915 1 144 . 1 1 39 39 LYS C C 13 176.444 0.30 . 1 . . . A 39 LYS C . 17915 1 145 . 1 1 39 39 LYS CA C 13 58.403 0.30 . 1 . . . A 39 LYS CA . 17915 1 146 . 1 1 39 39 LYS N N 15 120.851 0.30 . 1 . . . A 39 LYS N . 17915 1 147 . 1 1 40 40 ASP H H 1 8.085 0.02 . 1 . . . A 40 ASP H . 17915 1 148 . 1 1 40 40 ASP C C 13 176.96 0.30 . 1 . . . A 40 ASP C . 17915 1 149 . 1 1 40 40 ASP CA C 13 55.352 0.30 . 1 . . . A 40 ASP CA . 17915 1 150 . 1 1 40 40 ASP N N 15 114.427 0.30 . 1 . . . A 40 ASP N . 17915 1 151 . 1 1 41 41 TRP H H 1 8.096 0.02 . 1 . . . A 41 TRP H . 17915 1 152 . 1 1 41 41 TRP C C 13 174.303 0.30 . 1 . . . A 41 TRP C . 17915 1 153 . 1 1 41 41 TRP CA C 13 56.208 0.30 . 1 . . . A 41 TRP CA . 17915 1 154 . 1 1 41 41 TRP N N 15 122.708 0.30 . 1 . . . A 41 TRP N . 17915 1 155 . 1 1 42 42 TRP H H 1 9.245 0.02 . 1 . . . A 42 TRP H . 17915 1 156 . 1 1 42 42 TRP C C 13 174.303 0.30 . 1 . . . A 42 TRP C . 17915 1 157 . 1 1 42 42 TRP CA C 13 53.987 0.30 . 1 . . . A 42 TRP CA . 17915 1 158 . 1 1 42 42 TRP N N 15 124.707 0.30 . 1 . . . A 42 TRP N . 17915 1 159 . 1 1 43 43 LYS H H 1 8.783 0.02 . 1 . . . A 43 LYS H . 17915 1 160 . 1 1 43 43 LYS C C 13 175.482 0.30 . 1 . . . A 43 LYS C . 17915 1 161 . 1 1 43 43 LYS CA C 13 55.379 0.30 . 1 . . . A 43 LYS CA . 17915 1 162 . 1 1 43 43 LYS N N 15 124.005 0.30 . 1 . . . A 43 LYS N . 17915 1 163 . 1 1 44 44 VAL H H 1 9.287 0.02 . 1 . . . A 44 VAL H . 17915 1 164 . 1 1 44 44 VAL C C 13 173.472 0.30 . 1 . . . A 44 VAL C . 17915 1 165 . 1 1 44 44 VAL CA C 13 59.072 0.30 . 1 . . . A 44 VAL CA . 17915 1 166 . 1 1 44 44 VAL N N 15 122.139 0.30 . 1 . . . A 44 VAL N . 17915 1 167 . 1 1 45 45 GLU H H 1 8.566 0.02 . 1 . . . A 45 GLU H . 17915 1 168 . 1 1 45 45 GLU C C 13 174.827 0.30 . 1 . . . A 45 GLU C . 17915 1 169 . 1 1 45 45 GLU CA C 13 54.174 0.30 . 1 . . . A 45 GLU CA . 17915 1 170 . 1 1 45 45 GLU N N 15 118.524 0.30 . 1 . . . A 45 GLU N . 17915 1 171 . 1 1 46 46 VAL H H 1 8.774 0.02 . 1 . . . A 46 VAL H . 17915 1 172 . 1 1 46 46 VAL C C 13 174.608 0.30 . 1 . . . A 46 VAL C . 17915 1 173 . 1 1 46 46 VAL CA C 13 60.651 0.30 . 1 . . . A 46 VAL CA . 17915 1 174 . 1 1 46 46 VAL N N 15 124.904 0.30 . 1 . . . A 46 VAL N . 17915 1 175 . 1 1 47 47 ASN H H 1 9.356 0.02 . 1 . . . A 47 ASN H . 17915 1 176 . 1 1 47 47 ASN C C 13 174.259 0.30 . 1 . . . A 47 ASN C . 17915 1 177 . 1 1 47 47 ASN CA C 13 55.245 0.30 . 1 . . . A 47 ASN CA . 17915 1 178 . 1 1 47 47 ASN N N 15 126.53 0.30 . 1 . . . A 47 ASN N . 17915 1 179 . 1 1 48 48 ASP H H 1 8.628 0.02 . 1 . . . A 48 ASP H . 17915 1 180 . 1 1 48 48 ASP C C 13 174.521 0.30 . 1 . . . A 48 ASP C . 17915 1 181 . 1 1 48 48 ASP CA C 13 54.683 0.30 . 1 . . . A 48 ASP CA . 17915 1 182 . 1 1 48 48 ASP N N 15 112.42 0.30 . 1 . . . A 48 ASP N . 17915 1 183 . 1 1 49 49 ARG H H 1 8.069 0.02 . 1 . . . A 49 ARG H . 17915 1 184 . 1 1 49 49 ARG C C 13 174.477 0.30 . 1 . . . A 49 ARG C . 17915 1 185 . 1 1 49 49 ARG CA C 13 55.298 0.30 . 1 . . . A 49 ARG CA . 17915 1 186 . 1 1 49 49 ARG N N 15 120.379 0.30 . 1 . . . A 49 ARG N . 17915 1 187 . 1 1 50 50 GLN H H 1 8.432 0.02 . 1 . . . A 50 GLN H . 17915 1 188 . 1 1 50 50 GLN C C 13 175.963 0.30 . 1 . . . A 50 GLN C . 17915 1 189 . 1 1 50 50 GLN CA C 13 53.425 0.30 . 1 . . . A 50 GLN CA . 17915 1 190 . 1 1 50 50 GLN N N 15 118.647 0.30 . 1 . . . A 50 GLN N . 17915 1 191 . 1 1 51 51 GLY H H 1 8.534 0.02 . 1 . . . A 51 GLY H . 17915 1 192 . 1 1 51 51 GLY C C 13 170.479 0.30 . 1 . . . A 51 GLY C . 17915 1 193 . 1 1 51 51 GLY CA C 13 45.638 0.30 . 1 . . . A 51 GLY CA . 17915 1 194 . 1 1 51 51 GLY N N 15 107.028 0.30 . 1 . . . A 51 GLY N . 17915 1 195 . 1 1 52 52 PHE H H 1 9.098 0.02 . 1 . . . A 52 PHE H . 17915 1 196 . 1 1 52 52 PHE C C 13 175.635 0.30 . 1 . . . A 52 PHE C . 17915 1 197 . 1 1 52 52 PHE CA C 13 58.724 0.30 . 1 . . . A 52 PHE CA . 17915 1 198 . 1 1 52 52 PHE N N 15 119.03 0.30 . 1 . . . A 52 PHE N . 17915 1 199 . 1 1 53 53 VAL H H 1 8.942 0.02 . 1 . . . A 53 VAL H . 17915 1 200 . 1 1 53 53 VAL CA C 13 58.108 0.30 . 1 . . . A 53 VAL CA . 17915 1 201 . 1 1 53 53 VAL N N 15 110.897 0.30 . 1 . . . A 53 VAL N . 17915 1 202 . 1 1 55 55 ALA H H 1 7.355 0.02 . 1 . . . A 55 ALA H . 17915 1 203 . 1 1 55 55 ALA C C 13 178.565 0.30 . 1 . . . A 55 ALA C . 17915 1 204 . 1 1 55 55 ALA CA C 13 54.629 0.30 . 1 . . . A 55 ALA CA . 17915 1 205 . 1 1 55 55 ALA N N 15 129.055 0.30 . 1 . . . A 55 ALA N . 17915 1 206 . 1 1 56 56 ALA H H 1 7.75 0.02 . 1 . . . A 56 ALA H . 17915 1 207 . 1 1 56 56 ALA C C 13 178.214 0.30 . 1 . . . A 56 ALA C . 17915 1 208 . 1 1 56 56 ALA CA C 13 52.943 0.30 . 1 . . . A 56 ALA CA . 17915 1 209 . 1 1 56 56 ALA N N 15 113.282 0.30 . 1 . . . A 56 ALA N . 17915 1 210 . 1 1 57 57 TYR H H 1 7.611 0.02 . 1 . . . A 57 TYR H . 17915 1 211 . 1 1 57 57 TYR C C 13 174.565 0.30 . 1 . . . A 57 TYR C . 17915 1 212 . 1 1 57 57 TYR CA C 13 56.422 0.30 . 1 . . . A 57 TYR CA . 17915 1 213 . 1 1 57 57 TYR N N 15 116.083 0.30 . 1 . . . A 57 TYR N . 17915 1 214 . 1 1 58 58 VAL H H 1 7.301 0.02 . 1 . . . A 58 VAL H . 17915 1 215 . 1 1 58 58 VAL C C 13 173.647 0.30 . 1 . . . A 58 VAL C . 17915 1 216 . 1 1 58 58 VAL CA C 13 58.242 0.30 . 1 . . . A 58 VAL CA . 17915 1 217 . 1 1 58 58 VAL N N 15 110.965 0.30 . 1 . . . A 58 VAL N . 17915 1 218 . 1 1 59 59 LYS H H 1 8.515 0.02 . 1 . . . A 59 LYS H . 17915 1 219 . 1 1 59 59 LYS C C 13 176.16 0.30 . 1 . . . A 59 LYS C . 17915 1 220 . 1 1 59 59 LYS CA C 13 54.041 0.30 . 1 . . . A 59 LYS CA . 17915 1 221 . 1 1 59 59 LYS N N 15 118.586 0.30 . 1 . . . A 59 LYS N . 17915 1 222 . 1 1 60 60 LYS H H 1 9.135 0.02 . 1 . . . A 60 LYS H . 17915 1 223 . 1 1 60 60 LYS C C 13 176.793 0.30 . 1 . . . A 60 LYS C . 17915 1 224 . 1 1 60 60 LYS CA C 13 58.617 0.30 . 1 . . . A 60 LYS CA . 17915 1 225 . 1 1 60 60 LYS N N 15 125.734 0.30 . 1 . . . A 60 LYS N . 17915 1 226 . 1 1 61 61 LEU H H 1 8.384 0.02 . 1 . . . A 61 LEU H . 17915 1 227 . 1 1 61 61 LEU C C 13 174.106 0.30 . 1 . . . A 61 LEU C . 17915 1 228 . 1 1 61 61 LEU CA C 13 54.977 0.30 . 1 . . . A 61 LEU CA . 17915 1 229 . 1 1 61 61 LEU N N 15 125.061 0.30 . 1 . . . A 61 LEU N . 17915 1 230 . 1 1 62 62 ASP H H 1 7.923 0.02 . 1 . . . A 62 ASP H . 17915 1 231 . 1 1 62 62 ASP CA C 13 56.101 0.30 . 1 . . . A 62 ASP CA . 17915 1 232 . 1 1 62 62 ASP N N 15 123.073 0.30 . 1 . . . A 62 ASP N . 17915 1 stop_ save_