################################### # 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 27204 _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 1H-15N HSQC' . . . 27204 1 2 '3D 1H-15N NOESY' . . . 27204 1 3 '3D HNHA' . . . 27204 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 4 4 GLY H H 1 8.249 0.000 . 1 . . . . . 4 GLY H . 27204 1 2 . 1 1 4 4 GLY N N 15 109.516 0.000 . 1 . . . . . 4 GLY N . 27204 1 3 . 1 1 5 5 LYS H H 1 8.029 0.000 . 1 . . . . . 5 LYS H . 27204 1 4 . 1 1 5 5 LYS N N 15 119.345 0.000 . 1 . . . . . 5 LYS N . 27204 1 5 . 1 1 6 6 ARG H H 1 8.383 0.000 . 1 . . . . . 6 ARG H . 27204 1 6 . 1 1 6 6 ARG N N 15 121.481 0.000 . 1 . . . . . 6 ARG N . 27204 1 7 . 1 1 7 7 LEU H H 1 8.951 0.000 . 1 . . . . . 7 LEU H . 27204 1 8 . 1 1 7 7 LEU N N 15 123.135 0.000 . 1 . . . . . 7 LEU N . 27204 1 9 . 1 1 8 8 ASN H H 1 8.540 0.000 . 1 . . . . . 8 ASN H . 27204 1 10 . 1 1 8 8 ASN N N 15 121.417 0.000 . 1 . . . . . 8 ASN N . 27204 1 11 . 1 1 9 9 ILE H H 1 8.991 0.000 . 1 . . . . . 9 ILE H . 27204 1 12 . 1 1 9 9 ILE N N 15 126.088 0.000 . 1 . . . . . 9 ILE N . 27204 1 13 . 1 1 10 10 GLN H H 1 7.593 0.000 . 1 . . . . . 10 GLN H . 27204 1 14 . 1 1 10 10 GLN N N 15 126.386 0.000 . 1 . . . . . 10 GLN N . 27204 1 15 . 1 1 11 11 LEU H H 1 8.777 0.000 . 1 . . . . . 11 LEU H . 27204 1 16 . 1 1 11 11 LEU N N 15 122.062 0.000 . 1 . . . . . 11 LEU N . 27204 1 17 . 1 1 12 12 LYS H H 1 8.787 0.000 . 1 . . . . . 12 LYS H . 27204 1 18 . 1 1 12 12 LYS N N 15 123.730 0.000 . 1 . . . . . 12 LYS N . 27204 1 19 . 1 1 13 13 LYS H H 1 8.633 0.000 . 1 . . . . . 13 LYS H . 27204 1 20 . 1 1 13 13 LYS N N 15 126.989 0.000 . 1 . . . . . 13 LYS N . 27204 1 21 . 1 1 14 14 GLY H H 1 7.864 0.000 . 1 . . . . . 14 GLY H . 27204 1 22 . 1 1 14 14 GLY N N 15 115.796 0.000 . 1 . . . . . 14 GLY N . 27204 1 23 . 1 1 16 16 GLU H H 1 8.381 0.000 . 1 . . . . . 16 GLU H . 27204 1 24 . 1 1 16 16 GLU N N 15 118.465 0.000 . 1 . . . . . 16 GLU N . 27204 1 25 . 1 1 17 17 GLY H H 1 7.794 0.000 . 1 . . . . . 17 GLY H . 27204 1 26 . 1 1 17 17 GLY N N 15 131.609 0.000 . 1 . . . . . 17 GLY N . 27204 1 27 . 1 1 18 18 LEU H H 1 8.848 0.000 . 1 . . . . . 18 LEU H . 27204 1 28 . 1 1 18 18 LEU N N 15 114.059 0.000 . 1 . . . . . 18 LEU N . 27204 1 29 . 1 1 19 19 GLY H H 1 8.961 0.000 . 1 . . . . . 19 GLY H . 27204 1 30 . 1 1 19 19 GLY N N 15 130.497 0.000 . 1 . . . . . 19 GLY N . 27204 1 31 . 1 1 20 20 PHE H H 1 7.504 0.000 . 1 . . . . . 20 PHE H . 27204 1 32 . 1 1 20 20 PHE N N 15 115.011 0.000 . 1 . . . . . 20 PHE N . 27204 1 33 . 1 1 21 21 SER H H 1 8.830 0.000 . 1 . . . . . 21 SER H . 27204 1 34 . 1 1 21 21 SER N N 15 116.587 0.000 . 1 . . . . . 21 SER N . 27204 1 35 . 1 1 22 22 ILE H H 1 8.735 0.000 . 1 . . . . . 22 ILE H . 27204 1 36 . 1 1 22 22 ILE N N 15 114.798 0.000 . 1 . . . . . 22 ILE N . 27204 1 37 . 1 1 23 23 THR H H 1 9.058 0.000 . 1 . . . . . 23 THR H . 27204 1 38 . 1 1 23 23 THR N N 15 114.096 0.000 . 1 . . . . . 23 THR N . 27204 1 39 . 1 1 24 24 SER H H 1 8.134 0.000 . 1 . . . . . 24 SER H . 27204 1 40 . 1 1 24 24 SER N N 15 116.915 0.000 . 1 . . . . . 24 SER N . 27204 1 41 . 1 1 25 25 ARG H H 1 8.573 0.000 . 1 . . . . . 25 ARG H . 27204 1 42 . 1 1 25 25 ARG N N 15 121.822 0.000 . 1 . . . . . 25 ARG N . 27204 1 43 . 1 1 26 26 ASP H H 1 8.352 0.000 . 1 . . . . . 26 ASP H . 27204 1 44 . 1 1 26 26 ASP N N 15 120.891 0.000 . 1 . . . . . 26 ASP N . 27204 1 45 . 1 1 27 27 VAL H H 1 8.114 0.000 . 1 . . . . . 27 VAL H . 27204 1 46 . 1 1 27 27 VAL N N 15 119.137 0.000 . 1 . . . . . 27 VAL N . 27204 1 47 . 1 1 28 28 THR H H 1 8.262 0.000 . 1 . . . . . 28 THR H . 27204 1 48 . 1 1 28 28 THR N N 15 116.288 0.000 . 1 . . . . . 28 THR N . 27204 1 49 . 1 1 29 29 ILE H H 1 8.109 0.000 . 1 . . . . . 29 ILE H . 27204 1 50 . 1 1 29 29 ILE N N 15 122.149 0.000 . 1 . . . . . 29 ILE N . 27204 1 51 . 1 1 31 31 GLY H H 1 8.242 0.000 . 1 . . . . . 31 GLY H . 27204 1 52 . 1 1 31 31 GLY N N 15 108.232 0.000 . 1 . . . . . 31 GLY N . 27204 1 53 . 1 1 32 32 SER H H 1 8.101 0.000 . 1 . . . . . 32 SER H . 27204 1 54 . 1 1 32 32 SER N N 15 114.840 0.000 . 1 . . . . . 32 SER N . 27204 1 55 . 1 1 33 33 ALA H H 1 8.463 0.000 . 1 . . . . . 33 ALA H . 27204 1 56 . 1 1 33 33 ALA N N 15 128.033 0.000 . 1 . . . . . 33 ALA N . 27204 1 57 . 1 1 35 35 ILE H H 1 8.586 0.000 . 1 . . . . . 35 ILE H . 27204 1 58 . 1 1 35 35 ILE N N 15 121.947 0.000 . 1 . . . . . 35 ILE N . 27204 1 59 . 1 1 36 36 TYR H H 1 8.848 0.000 . 1 . . . . . 36 TYR H . 27204 1 60 . 1 1 36 36 TYR N N 15 123.490 0.000 . 1 . . . . . 36 TYR N . 27204 1 61 . 1 1 37 37 VAL H H 1 9.092 0.000 . 1 . . . . . 37 VAL H . 27204 1 62 . 1 1 37 37 VAL N N 15 120.168 0.000 . 1 . . . . . 37 VAL N . 27204 1 63 . 1 1 38 38 LYS H H 1 9.502 0.000 . 1 . . . . . 38 LYS H . 27204 1 64 . 1 1 38 38 LYS N N 15 110.629 0.000 . 1 . . . . . 38 LYS N . 27204 1 65 . 1 1 39 39 ASN H H 1 9.502 0.000 . 1 . . . . . 39 ASN H . 27204 1 66 . 1 1 39 39 ASN N N 15 108.718 0.000 . 1 . . . . . 39 ASN N . 27204 1 67 . 1 1 40 40 ILE H H 1 8.557 0.000 . 1 . . . . . 40 ILE H . 27204 1 68 . 1 1 40 40 ILE N N 15 121.899 0.000 . 1 . . . . . 40 ILE N . 27204 1 69 . 1 1 41 41 LEU H H 1 8.060 0.000 . 1 . . . . . 41 LEU H . 27204 1 70 . 1 1 41 41 LEU N N 15 128.953 0.000 . 1 . . . . . 41 LEU N . 27204 1 71 . 1 1 43 43 ARG H H 1 7.142 0.000 . 1 . . . . . 43 ARG H . 27204 1 72 . 1 1 43 43 ARG N N 15 114.239 0.000 . 1 . . . . . 43 ARG N . 27204 1 73 . 1 1 44 44 GLY H H 1 8.381 0.000 . 1 . . . . . 44 GLY H . 27204 1 74 . 1 1 44 44 GLY N N 15 108.521 0.000 . 1 . . . . . 44 GLY N . 27204 1 75 . 1 1 45 45 ALA H H 1 7.857 0.000 . 1 . . . . . 45 ALA H . 27204 1 76 . 1 1 45 45 ALA N N 15 118.517 0.000 . 1 . . . . . 45 ALA N . 27204 1 77 . 1 1 46 46 ALA H H 1 8.576 0.000 . 1 . . . . . 46 ALA H . 27204 1 78 . 1 1 46 46 ALA N N 15 118.486 0.000 . 1 . . . . . 46 ALA N . 27204 1 79 . 1 1 47 47 ILE H H 1 9.639 0.000 . 1 . . . . . 47 ILE H . 27204 1 80 . 1 1 47 47 ILE N N 15 123.949 0.000 . 1 . . . . . 47 ILE N . 27204 1 81 . 1 1 48 48 GLN H H 1 7.090 0.000 . 1 . . . . . 48 GLN H . 27204 1 82 . 1 1 48 48 GLN N N 15 122.336 0.000 . 1 . . . . . 48 GLN N . 27204 1 83 . 1 1 49 49 ASP H H 1 7.922 0.000 . 1 . . . . . 49 ASP H . 27204 1 84 . 1 1 49 49 ASP N N 15 118.429 0.000 . 1 . . . . . 49 ASP N . 27204 1 85 . 1 1 50 50 GLY H H 1 7.801 0.000 . 1 . . . . . 50 GLY H . 27204 1 86 . 1 1 50 50 GLY N N 15 129.260 0.000 . 1 . . . . . 50 GLY N . 27204 1 87 . 1 1 51 51 ARG H H 1 7.860 0.000 . 1 . . . . . 51 ARG H . 27204 1 88 . 1 1 51 51 ARG N N 15 118.634 0.000 . 1 . . . . . 51 ARG N . 27204 1 89 . 1 1 52 52 LEU H H 1 9.332 0.000 . 1 . . . . . 52 LEU H . 27204 1 90 . 1 1 52 52 LEU N N 15 123.829 0.000 . 1 . . . . . 52 LEU N . 27204 1 91 . 1 1 53 53 LYS H H 1 8.352 0.000 . 1 . . . . . 53 LYS H . 27204 1 92 . 1 1 53 53 LYS N N 15 123.557 0.000 . 1 . . . . . 53 LYS N . 27204 1 93 . 1 1 54 54 ALA H H 1 8.482 0.000 . 1 . . . . . 54 ALA H . 27204 1 94 . 1 1 54 54 ALA N N 15 123.308 0.000 . 1 . . . . . 54 ALA N . 27204 1 95 . 1 1 55 55 GLY H H 1 8.978 0.000 . 1 . . . . . 55 GLY H . 27204 1 96 . 1 1 55 55 GLY N N 15 112.434 0.000 . 1 . . . . . 55 GLY N . 27204 1 97 . 1 1 56 56 ASP H H 1 7.899 0.000 . 1 . . . . . 56 ASP H . 27204 1 98 . 1 1 56 56 ASP N N 15 123.567 0.000 . 1 . . . . . 56 ASP N . 27204 1 99 . 1 1 57 57 ARG H H 1 8.841 0.000 . 1 . . . . . 57 ARG H . 27204 1 100 . 1 1 57 57 ARG N N 15 123.605 0.000 . 1 . . . . . 57 ARG N . 27204 1 101 . 1 1 58 58 LEU H H 1 8.831 0.000 . 1 . . . . . 58 LEU H . 27204 1 102 . 1 1 58 58 LEU N N 15 127.918 0.000 . 1 . . . . . 58 LEU N . 27204 1 103 . 1 1 59 59 ILE H H 1 9.051 0.000 . 1 . . . . . 59 ILE H . 27204 1 104 . 1 1 59 59 ILE N N 15 122.742 0.000 . 1 . . . . . 59 ILE N . 27204 1 105 . 1 1 60 60 GLU H H 1 7.642 0.000 . 1 . . . . . 60 GLU H . 27204 1 106 . 1 1 60 60 GLU N N 15 115.985 0.000 . 1 . . . . . 60 GLU N . 27204 1 107 . 1 1 61 61 VAL H H 1 7.889 0.000 . 1 . . . . . 61 VAL H . 27204 1 108 . 1 1 61 61 VAL N N 15 119.542 0.000 . 1 . . . . . 61 VAL N . 27204 1 109 . 1 1 62 62 ASN H H 1 9.981 0.000 . 1 . . . . . 62 ASN H . 27204 1 110 . 1 1 62 62 ASN N N 15 126.415 0.000 . 1 . . . . . 62 ASN N . 27204 1 111 . 1 1 63 63 GLY H H 1 8.804 0.000 . 1 . . . . . 63 GLY H . 27204 1 112 . 1 1 63 63 GLY N N 15 129.222 0.000 . 1 . . . . . 63 GLY N . 27204 1 113 . 1 1 64 64 VAL H H 1 8.077 0.000 . 1 . . . . . 64 VAL H . 27204 1 114 . 1 1 64 64 VAL N N 15 123.386 0.000 . 1 . . . . . 64 VAL N . 27204 1 115 . 1 1 65 65 ASP H H 1 8.450 0.000 . 1 . . . . . 65 ASP H . 27204 1 116 . 1 1 65 65 ASP N N 15 127.046 0.000 . 1 . . . . . 65 ASP N . 27204 1 117 . 1 1 66 66 LEU H H 1 7.566 0.000 . 1 . . . . . 66 LEU H . 27204 1 118 . 1 1 66 66 LEU N N 15 122.131 0.000 . 1 . . . . . 66 LEU N . 27204 1 119 . 1 1 67 67 VAL H H 1 8.255 0.000 . 1 . . . . . 67 VAL H . 27204 1 120 . 1 1 67 67 VAL N N 15 123.708 0.000 . 1 . . . . . 67 VAL N . 27204 1 121 . 1 1 68 68 GLY H H 1 8.650 0.000 . 1 . . . . . 68 GLY H . 27204 1 122 . 1 1 68 68 GLY N N 15 115.412 0.000 . 1 . . . . . 68 GLY N . 27204 1 123 . 1 1 69 69 LYS H H 1 7.792 0.000 . 1 . . . . . 69 LYS H . 27204 1 124 . 1 1 69 69 LYS N N 15 119.816 0.000 . 1 . . . . . 69 LYS N . 27204 1 125 . 1 1 70 70 SER H H 1 9.122 0.000 . 1 . . . . . 70 SER H . 27204 1 126 . 1 1 70 70 SER N N 15 118.769 0.000 . 1 . . . . . 70 SER N . 27204 1 127 . 1 1 71 71 GLN H H 1 9.131 0.000 . 1 . . . . . 71 GLN H . 27204 1 128 . 1 1 71 71 GLN N N 15 120.767 0.000 . 1 . . . . . 71 GLN N . 27204 1 129 . 1 1 72 72 GLU H H 1 8.735 0.000 . 1 . . . . . 72 GLU H . 27204 1 130 . 1 1 72 72 GLU N N 15 117.666 0.000 . 1 . . . . . 72 GLU N . 27204 1 131 . 1 1 73 73 GLU H H 1 7.861 0.000 . 1 . . . . . 73 GLU H . 27204 1 132 . 1 1 73 73 GLU N N 15 120.783 0.000 . 1 . . . . . 73 GLU N . 27204 1 133 . 1 1 74 74 VAL H H 1 8.138 0.000 . 1 . . . . . 74 VAL H . 27204 1 134 . 1 1 74 74 VAL N N 15 121.539 0.000 . 1 . . . . . 74 VAL N . 27204 1 135 . 1 1 75 75 VAL H H 1 8.601 0.000 . 1 . . . . . 75 VAL H . 27204 1 136 . 1 1 75 75 VAL N N 15 120.694 0.000 . 1 . . . . . 75 VAL N . 27204 1 137 . 1 1 76 76 SER H H 1 7.990 0.000 . 1 . . . . . 76 SER H . 27204 1 138 . 1 1 76 76 SER N N 15 114.767 0.000 . 1 . . . . . 76 SER N . 27204 1 139 . 1 1 77 77 LEU H H 1 7.891 0.000 . 1 . . . . . 77 LEU H . 27204 1 140 . 1 1 77 77 LEU N N 15 123.323 0.000 . 1 . . . . . 77 LEU N . 27204 1 141 . 1 1 78 78 LEU H H 1 8.093 0.000 . 1 . . . . . 78 LEU H . 27204 1 142 . 1 1 78 78 LEU N N 15 118.996 0.000 . 1 . . . . . 78 LEU N . 27204 1 143 . 1 1 79 79 ARG H H 1 8.458 0.000 . 1 . . . . . 79 ARG H . 27204 1 144 . 1 1 79 79 ARG N N 15 119.867 0.000 . 1 . . . . . 79 ARG N . 27204 1 145 . 1 1 80 80 SER H H 1 7.699 0.000 . 1 . . . . . 80 SER H . 27204 1 146 . 1 1 80 80 SER N N 15 113.468 0.000 . 1 . . . . . 80 SER N . 27204 1 147 . 1 1 81 81 THR H H 1 7.404 0.000 . 1 . . . . . 81 THR H . 27204 1 148 . 1 1 81 81 THR N N 15 117.100 0.000 . 1 . . . . . 81 THR N . 27204 1 149 . 1 1 82 82 LYS H H 1 8.667 0.000 . 1 . . . . . 82 LYS H . 27204 1 150 . 1 1 82 82 LYS N N 15 126.586 0.000 . 1 . . . . . 82 LYS N . 27204 1 151 . 1 1 83 83 MET H H 1 8.487 0.000 . 1 . . . . . 83 MET H . 27204 1 152 . 1 1 83 83 MET N N 15 120.930 0.000 . 1 . . . . . 83 MET N . 27204 1 153 . 1 1 84 84 GLU H H 1 8.846 0.000 . 1 . . . . . 84 GLU H . 27204 1 154 . 1 1 84 84 GLU N N 15 118.817 0.000 . 1 . . . . . 84 GLU N . 27204 1 155 . 1 1 85 85 GLY H H 1 8.498 0.000 . 1 . . . . . 85 GLY H . 27204 1 156 . 1 1 85 85 GLY N N 15 108.834 0.000 . 1 . . . . . 85 GLY N . 27204 1 157 . 1 1 86 86 THR H H 1 8.216 0.000 . 1 . . . . . 86 THR H . 27204 1 158 . 1 1 86 86 THR N N 15 114.066 0.000 . 1 . . . . . 86 THR N . 27204 1 159 . 1 1 87 87 VAL H H 1 9.300 0.000 . 1 . . . . . 87 VAL H . 27204 1 160 . 1 1 87 87 VAL N N 15 126.165 0.000 . 1 . . . . . 87 VAL N . 27204 1 161 . 1 1 88 88 SER H H 1 8.738 0.000 . 1 . . . . . 88 SER H . 27204 1 162 . 1 1 88 88 SER N N 15 122.110 0.000 . 1 . . . . . 88 SER N . 27204 1 163 . 1 1 89 89 LEU H H 1 9.310 0.000 . 1 . . . . . 89 LEU H . 27204 1 164 . 1 1 89 89 LEU N N 15 126.031 0.000 . 1 . . . . . 89 LEU N . 27204 1 165 . 1 1 90 90 LEU H H 1 8.404 0.000 . 1 . . . . . 90 LEU H . 27204 1 166 . 1 1 90 90 LEU N N 15 126.615 0.000 . 1 . . . . . 90 LEU N . 27204 1 167 . 1 1 91 91 VAL H H 1 9.081 0.000 . 1 . . . . . 91 VAL H . 27204 1 168 . 1 1 91 91 VAL N N 15 120.770 0.000 . 1 . . . . . 91 VAL N . 27204 1 169 . 1 1 92 92 PHE H H 1 9.346 0.000 . 1 . . . . . 92 PHE H . 27204 1 170 . 1 1 92 92 PHE N N 15 121.210 0.000 . 1 . . . . . 92 PHE N . 27204 1 171 . 1 1 93 93 ARG H H 1 8.731 0.000 . 1 . . . . . 93 ARG H . 27204 1 172 . 1 1 93 93 ARG N N 15 131.263 0.000 . 1 . . . . . 93 ARG N . 27204 1 173 . 1 1 94 94 GLN H H 1 8.617 0.000 . 1 . . . . . 94 GLN H . 27204 1 174 . 1 1 94 94 GLN N N 15 126.979 0.000 . 1 . . . . . 94 GLN N . 27204 1 175 . 1 1 95 95 GLU H H 1 8.275 0.000 . 1 . . . . . 95 GLU H . 27204 1 176 . 1 1 95 95 GLU N N 15 123.325 0.000 . 1 . . . . . 95 GLU N . 27204 1 177 . 1 1 96 96 ASP H H 1 8.040 0.000 . 1 . . . . . 96 ASP H . 27204 1 178 . 1 1 96 96 ASP N N 15 127.427 0.000 . 1 . . . . . 96 ASP N . 27204 1 stop_ save_