################################### # 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 25572 _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 0.3 _Assigned_chem_shift_list.Chem_shift_13C_err 2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 25572 1 2 '3D HNCO' . . . 25572 1 3 '3D CBCA(CO)NH' . . . 25572 1 5 '3D HNCA' . . . 25572 1 6 '3D 1H-15N NOESY' . . . 25572 1 7 '3D 1H-15N TOCSY' . . . 25572 1 8 '3D 1H-13C NOESY' . . . 25572 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 MET H H 1 8.202 0.020 . 1 . . . . 1 MET H . 25572 1 2 . 1 1 1 1 MET C C 13 175.381 0.3 . 1 . . . . 1 MET C . 25572 1 3 . 1 1 1 1 MET CA C 13 52.633 0.3 . 1 . . . . 1 MET CA . 25572 1 4 . 1 1 1 1 MET CB C 13 37.845 0.3 . 1 . . . . 1 MET CB . 25572 1 5 . 1 1 1 1 MET N N 15 119.937 0.3 . 1 . . . . 1 MET N . 25572 1 6 . 1 1 85 85 GLU H H 1 8.082 0.020 . 1 . . . . 85 GLU H . 25572 1 7 . 1 1 85 85 GLU CA C 13 52.479 0.3 . 1 . . . . 85 GLU CA . 25572 1 8 . 1 1 85 85 GLU CB C 13 31.921 0.3 . 1 . . . . 85 GLU CB . 25572 1 9 . 1 1 85 85 GLU N N 15 123.656 0.3 . 1 . . . . 85 GLU N . 25572 1 10 . 1 1 86 86 ALA H H 1 8.082 0.020 . 1 . . . . 86 ALA H . 25572 1 11 . 1 1 86 86 ALA CA C 13 51.445 0.3 . 1 . . . . 86 ALA CA . 25572 1 12 . 1 1 86 86 ALA CB C 13 18.610 0.3 . 1 . . . . 86 ALA CB . 25572 1 13 . 1 1 86 86 ALA N N 15 125.141 0.3 . 1 . . . . 86 ALA N . 25572 1 14 . 1 1 87 87 PHE H H 1 8.754 0.020 . 1 . . . . 87 PHE H . 25572 1 15 . 1 1 87 87 PHE C C 13 173.913 0.3 . 1 . . . . 87 PHE C . 25572 1 16 . 1 1 87 87 PHE CA C 13 52.177 0.3 . 1 . . . . 87 PHE CA . 25572 1 17 . 1 1 87 87 PHE CB C 13 37.389 0.3 . 1 . . . . 87 PHE CB . 25572 1 18 . 1 1 87 87 PHE N N 15 118.661 0.3 . 1 . . . . 87 PHE N . 25572 1 19 . 1 1 93 93 ARG H H 1 8.134 0.020 . 1 . . . . 93 ARG H . 25572 1 20 . 1 1 93 93 ARG CA C 13 55.614 0.3 . 1 . . . . 93 ARG CA . 25572 1 21 . 1 1 93 93 ARG CB C 13 27.643 0.3 . 1 . . . . 93 ARG CB . 25572 1 22 . 1 1 93 93 ARG N N 15 120.479 0.3 . 1 . . . . 93 ARG N . 25572 1 23 . 1 1 94 94 VAL H H 1 8.070 0.020 . 1 . . . . 94 VAL H . 25572 1 24 . 1 1 94 94 VAL C C 13 177.044 0.3 . 1 . . . . 94 VAL C . 25572 1 25 . 1 1 94 94 VAL CA C 13 61.460 0.3 . 1 . . . . 94 VAL CA . 25572 1 26 . 1 1 94 94 VAL CB C 13 31.770 0.3 . 1 . . . . 94 VAL CB . 25572 1 27 . 1 1 94 94 VAL N N 15 121.451 0.3 . 1 . . . . 94 VAL N . 25572 1 28 . 1 1 95 95 ARG H H 1 8.327 0.020 . 1 . . . . 95 ARG H . 25572 1 29 . 1 1 95 95 ARG CA C 13 55.270 0.3 . 1 . . . . 95 ARG CA . 25572 1 30 . 1 1 95 95 ARG CB C 13 30.050 0.3 . 1 . . . . 95 ARG CB . 25572 1 31 . 1 1 95 95 ARG N N 15 125.279 0.3 . 1 . . . . 95 ARG N . 25572 1 32 . 1 1 96 96 VAL H H 1 8.153 0.020 . 1 . . . . 96 VAL H . 25572 1 33 . 1 1 96 96 VAL C C 13 175.919 0.3 . 1 . . . . 96 VAL C . 25572 1 34 . 1 1 96 96 VAL CA C 13 61.689 0.3 . 1 . . . . 96 VAL CA . 25572 1 35 . 1 1 96 96 VAL CB C 13 31.884 0.3 . 1 . . . . 96 VAL CB . 25572 1 36 . 1 1 96 96 VAL N N 15 121.907 0.3 . 1 . . . . 96 VAL N . 25572 1 37 . 1 1 97 97 GLY H H 1 8.450 0.020 . 1 . . . . 97 GLY H . 25572 1 38 . 1 1 97 97 GLY C C 13 171.277 0.3 . 1 . . . . 97 GLY C . 25572 1 39 . 1 1 97 97 GLY CA C 13 42.382 0.3 . 1 . . . . 97 GLY CA . 25572 1 40 . 1 1 97 97 GLY N N 15 112.766 0.3 . 1 . . . . 97 GLY N . 25572 1 41 . 1 1 98 98 GLN H H 1 7.880 0.020 . 1 . . . . 98 GLN H . 25572 1 42 . 1 1 98 98 GLN N N 15 118.707 0.3 . 1 . . . . 98 GLN N . 25572 1 43 . 1 1 99 99 SER H H 1 8.227 0.020 . 1 . . . . 99 SER H . 25572 1 44 . 1 1 99 99 SER C C 13 174.842 0.3 . 1 . . . . 99 SER C . 25572 1 45 . 1 1 99 99 SER CA C 13 58.594 0.3 . 1 . . . . 99 SER CA . 25572 1 46 . 1 1 99 99 SER CB C 13 62.606 0.3 . 1 . . . . 99 SER CB . 25572 1 47 . 1 1 99 99 SER N N 15 116.149 0.3 . 1 . . . . 99 SER N . 25572 1 48 . 1 1 100 100 ASN H H 1 8.426 0.020 . 1 . . . . 100 ASN H . 25572 1 49 . 1 1 100 100 ASN C C 13 174.549 0.3 . 1 . . . . 100 ASN C . 25572 1 50 . 1 1 100 100 ASN CA C 13 52.633 0.3 . 1 . . . . 100 ASN CA . 25572 1 51 . 1 1 100 100 ASN CB C 13 37.845 0.3 . 1 . . . . 100 ASN CB . 25572 1 52 . 1 1 100 100 ASN N N 15 120.479 0.3 . 1 . . . . 100 ASN N . 25572 1 53 . 1 1 101 101 GLU H H 1 8.077 0.020 . 1 . . . . 101 GLU H . 25572 1 54 . 1 1 101 101 GLU C C 13 175.723 0.3 . 1 . . . . 101 GLU C . 25572 1 55 . 1 1 101 101 GLU CA C 13 55.843 0.3 . 1 . . . . 101 GLU CA . 25572 1 56 . 1 1 101 101 GLU CB C 13 27.643 0.3 . 1 . . . . 101 GLU CB . 25572 1 57 . 1 1 101 101 GLU N N 15 120.064 0.3 . 1 . . . . 101 GLU N . 25572 1 58 . 1 1 102 102 GLU H H 1 8.229 0.020 . 1 . . . . 102 GLU H . 25572 1 59 . 1 1 102 102 GLU CA C 13 55.384 0.3 . 1 . . . . 102 GLU CA . 25572 1 60 . 1 1 102 102 GLU CB C 13 27.757 0.3 . 1 . . . . 102 GLU CB . 25572 1 61 . 1 1 102 102 GLU N N 15 120.399 0.3 . 1 . . . . 102 GLU N . 25572 1 62 . 1 1 103 103 ASN H H 1 7.932 0.020 . 1 . . . . 103 ASN H . 25572 1 63 . 1 1 103 103 ASN C C 13 173.277 0.3 . 1 . . . . 103 ASN C . 25572 1 64 . 1 1 103 103 ASN CA C 13 54.811 0.3 . 1 . . . . 103 ASN CA . 25572 1 65 . 1 1 103 103 ASN CB C 13 40.596 0.3 . 1 . . . . 103 ASN CB . 25572 1 66 . 1 1 103 103 ASN N N 15 119.567 0.3 . 1 . . . . 103 ASN N . 25572 1 67 . 1 1 104 104 GLN H H 1 7.797 0.020 . 1 . . . . 104 GLN H . 25572 1 68 . 1 1 104 104 GLN CA C 13 52.748 0.3 . 1 . . . . 104 GLN CA . 25572 1 69 . 1 1 104 104 GLN CB C 13 27.643 0.3 . 1 . . . . 104 GLN CB . 25572 1 70 . 1 1 104 104 GLN N N 15 118.769 0.3 . 1 . . . . 104 GLN N . 25572 1 71 . 1 1 105 105 ASP H H 1 8.144 0.020 . 1 . . . . 105 ASP H . 25572 1 72 . 1 1 105 105 ASP CA C 13 55.384 0.3 . 1 . . . . 105 ASP CA . 25572 1 73 . 1 1 105 105 ASP CB C 13 44.494 0.3 . 1 . . . . 105 ASP CB . 25572 1 74 . 1 1 105 105 ASP N N 15 119.898 0.3 . 1 . . . . 105 ASP N . 25572 1 75 . 1 1 106 106 GLU H H 1 8.108 0.020 . 1 . . . . 106 GLU H . 25572 1 76 . 1 1 106 106 GLU C C 13 175.772 0.3 . 1 . . . . 106 GLU C . 25572 1 77 . 1 1 106 106 GLU CA C 13 55.728 0.3 . 1 . . . . 106 GLU CA . 25572 1 78 . 1 1 106 106 GLU CB C 13 27.528 0.3 . 1 . . . . 106 GLU CB . 25572 1 79 . 1 1 106 106 GLU N N 15 119.964 0.3 . 1 . . . . 106 GLU N . 25572 1 80 . 1 1 107 107 GLU H H 1 8.471 0.020 . 1 . . . . 107 GLU H . 25572 1 81 . 1 1 107 107 GLU C C 13 176.848 0.3 . 1 . . . . 107 GLU C . 25572 1 82 . 1 1 107 107 GLU CA C 13 55.614 0.3 . 1 . . . . 107 GLU CA . 25572 1 83 . 1 1 107 107 GLU CB C 13 28.445 0.3 . 1 . . . . 107 GLU CB . 25572 1 84 . 1 1 107 107 GLU N N 15 124.144 0.3 . 1 . . . . 107 GLU N . 25572 1 85 . 1 1 108 108 GLU H H 1 8.394 0.020 . 1 . . . . 108 GLU H . 25572 1 86 . 1 1 108 108 GLU C C 13 174.500 0.3 . 1 . . . . 108 GLU C . 25572 1 87 . 1 1 108 108 GLU CA C 13 52.518 0.3 . 1 . . . . 108 GLU CA . 25572 1 88 . 1 1 108 108 GLU CB C 13 37.043 0.3 . 1 . . . . 108 GLU CB . 25572 1 89 . 1 1 108 108 GLU N N 15 118.917 0.3 . 1 . . . . 108 GLU N . 25572 1 90 . 1 1 109 109 ALA H H 1 7.989 0.020 . 1 . . . . 109 ALA H . 25572 1 91 . 1 1 109 109 ALA CA C 13 52.862 0.3 . 1 . . . . 109 ALA CA . 25572 1 92 . 1 1 109 109 ALA CB C 13 17.669 0.3 . 1 . . . . 109 ALA CB . 25572 1 93 . 1 1 109 109 ALA N N 15 121.563 0.3 . 1 . . . . 109 ALA N . 25572 1 94 . 1 1 110 110 ASP H H 1 8.190 0.020 . 1 . . . . 110 ASP H . 25572 1 95 . 1 1 110 110 ASP C C 13 174.965 0.3 . 1 . . . . 110 ASP C . 25572 1 96 . 1 1 110 110 ASP CA C 13 52.633 0.3 . 1 . . . . 110 ASP CA . 25572 1 97 . 1 1 110 110 ASP CB C 13 37.043 0.3 . 1 . . . . 110 ASP CB . 25572 1 98 . 1 1 110 110 ASP N N 15 116.800 0.3 . 1 . . . . 110 ASP N . 25572 1 99 . 1 1 111 111 GLU H H 1 8.174 0.020 . 1 . . . . 111 GLU H . 25572 1 100 . 1 1 111 111 GLU C C 13 175.674 0.3 . 1 . . . . 111 GLU C . 25572 1 101 . 1 1 111 111 GLU CA C 13 52.633 0.3 . 1 . . . . 111 GLU CA . 25572 1 102 . 1 1 111 111 GLU CB C 13 31.884 0.3 . 1 . . . . 111 GLU CB . 25572 1 103 . 1 1 111 111 GLU N N 15 121.321 0.3 . 1 . . . . 111 GLU N . 25572 1 104 . 1 1 112 112 GLU H H 1 8.405 0.020 . 1 . . . . 112 GLU H . 25572 1 105 . 1 1 112 112 GLU C C 13 173.522 0.3 . 1 . . . . 112 GLU C . 25572 1 106 . 1 1 112 112 GLU CA C 13 61.804 0.3 . 1 . . . . 112 GLU CA . 25572 1 107 . 1 1 112 112 GLU CB C 13 27.184 0.3 . 1 . . . . 112 GLU CB . 25572 1 108 . 1 1 112 112 GLU N N 15 121.491 0.3 . 1 . . . . 112 GLU N . 25572 1 109 . 1 1 113 113 GLU H H 1 8.506 0.020 . 1 . . . . 113 GLU H . 25572 1 110 . 1 1 113 113 GLU CA C 13 54.467 0.3 . 1 . . . . 113 GLU CA . 25572 1 111 . 1 1 113 113 GLU CB C 13 28.216 0.3 . 1 . . . . 113 GLU CB . 25572 1 112 . 1 1 113 113 GLU N N 15 119.245 0.3 . 1 . . . . 113 GLU N . 25572 1 113 . 1 1 114 114 GLY H H 1 8.237 0.020 . 1 . . . . 114 GLY H . 25572 1 114 . 1 1 114 114 GLY C C 13 173.619 0.3 . 1 . . . . 114 GLY C . 25572 1 115 . 1 1 114 114 GLY CA C 13 42.838 0.3 . 1 . . . . 114 GLY CA . 25572 1 116 . 1 1 114 114 GLY N N 15 109.153 0.3 . 1 . . . . 114 GLY N . 25572 1 117 . 1 1 115 115 VAL H H 1 8.213 0.020 . 1 . . . . 115 VAL H . 25572 1 118 . 1 1 115 115 VAL CA C 13 54.545 0.3 . 1 . . . . 115 VAL CA . 25572 1 119 . 1 1 115 115 VAL CB C 13 41.572 0.3 . 1 . . . . 115 VAL CB . 25572 1 120 . 1 1 115 115 VAL N N 15 122.184 0.3 . 1 . . . . 115 VAL N . 25572 1 121 . 1 1 116 116 ARG H H 1 8.244 0.020 . 1 . . . . 116 ARG H . 25572 1 122 . 1 1 116 116 ARG CA C 13 55.843 0.3 . 1 . . . . 116 ARG CA . 25572 1 123 . 1 1 116 116 ARG CB C 13 27.528 0.3 . 1 . . . . 116 ARG CB . 25572 1 124 . 1 1 116 116 ARG N N 15 122.901 0.3 . 1 . . . . 116 ARG N . 25572 1 125 . 1 1 117 117 ASP H H 1 7.950 0.020 . 1 . . . . 117 ASP H . 25572 1 126 . 1 1 117 117 ASP CA C 13 55.384 0.3 . 1 . . . . 117 ASP CA . 25572 1 127 . 1 1 117 117 ASP CB C 13 41.399 0.3 . 1 . . . . 117 ASP CB . 25572 1 128 . 1 1 117 117 ASP N N 15 122.025 0.3 . 1 . . . . 117 ASP N . 25572 1 129 . 1 1 118 118 SER H H 1 8.194 0.020 . 1 . . . . 118 SER H . 25572 1 130 . 1 1 118 118 SER CA C 13 58.594 0.3 . 1 . . . . 118 SER CA . 25572 1 131 . 1 1 118 118 SER CB C 13 62.606 0.3 . 1 . . . . 118 SER CB . 25572 1 132 . 1 1 118 118 SER N N 15 116.270 0.3 . 1 . . . . 118 SER N . 25572 1 133 . 1 1 119 119 GLU H H 1 8.225 0.020 . 1 . . . . 119 GLU H . 25572 1 134 . 1 1 119 119 GLU C C 13 175.821 0.3 . 1 . . . . 119 GLU C . 25572 1 135 . 1 1 119 119 GLU CA C 13 55.957 0.3 . 1 . . . . 119 GLU CA . 25572 1 136 . 1 1 119 119 GLU CB C 13 27.528 0.3 . 1 . . . . 119 GLU CB . 25572 1 137 . 1 1 119 119 GLU N N 15 121.417 0.3 . 1 . . . . 119 GLU N . 25572 1 138 . 1 1 120 120 GLU H H 1 8.163 0.020 . 1 . . . . 120 GLU H . 25572 1 139 . 1 1 120 120 GLU C C 13 173.571 0.3 . 1 . . . . 120 GLU C . 25572 1 140 . 1 1 120 120 GLU CA C 13 54.467 0.3 . 1 . . . . 120 GLU CA . 25572 1 141 . 1 1 120 120 GLU CB C 13 27.757 0.3 . 1 . . . . 120 GLU CB . 25572 1 142 . 1 1 120 120 GLU N N 15 117.513 0.3 . 1 . . . . 120 GLU N . 25572 1 143 . 1 1 121 121 VAL H H 1 7.909 0.020 . 1 . . . . 121 VAL H . 25572 1 144 . 1 1 121 121 VAL N N 15 121.097 0.3 . 1 . . . . 121 VAL N . 25572 1 145 . 1 1 122 122 GLU H H 1 8.105 0.020 . 1 . . . . 122 GLU H . 25572 1 146 . 1 1 122 122 GLU N N 15 120.104 0.3 . 1 . . . . 122 GLU N . 25572 1 147 . 1 1 123 123 GLU H H 1 8.303 0.020 . 1 . . . . 123 GLU H . 25572 1 148 . 1 1 123 123 GLU CA C 13 53.467 0.3 . 1 . . . . 123 GLU CA . 25572 1 149 . 1 1 123 123 GLU CB C 13 27.987 0.3 . 1 . . . . 123 GLU CB . 25572 1 150 . 1 1 123 123 GLU N N 15 118.420 0.3 . 1 . . . . 123 GLU N . 25572 1 151 . 1 1 124 124 SER H H 1 8.360 0.020 . 1 . . . . 124 SER H . 25572 1 152 . 1 1 124 124 SER C C 13 173.620 0.3 . 1 . . . . 124 SER C . 25572 1 153 . 1 1 124 124 SER CA C 13 57.677 0.3 . 1 . . . . 124 SER CA . 25572 1 154 . 1 1 124 124 SER CB C 13 62.950 0.3 . 1 . . . . 124 SER CB . 25572 1 155 . 1 1 124 124 SER N N 15 116.889 0.3 . 1 . . . . 124 SER N . 25572 1 156 . 1 1 125 125 THR H H 1 8.104 0.020 . 1 . . . . 125 THR H . 25572 1 157 . 1 1 125 125 THR CA C 13 62.836 0.3 . 1 . . . . 125 THR CA . 25572 1 158 . 1 1 125 125 THR CB C 13 68.338 0.3 . 1 . . . . 125 THR CB . 25572 1 159 . 1 1 125 125 THR N N 15 115.863 0.3 . 1 . . . . 125 THR N . 25572 1 160 . 1 1 127 127 LYS H H 1 8.189 0.020 . 1 . . . . 127 LYS H . 25572 1 161 . 1 1 127 127 LYS CA C 13 52.633 0.3 . 1 . . . . 127 LYS CA . 25572 1 162 . 1 1 127 127 LYS CB C 13 37.960 0.3 . 1 . . . . 127 LYS CB . 25572 1 163 . 1 1 127 127 LYS N N 15 119.839 0.3 . 1 . . . . 127 LYS N . 25572 1 164 . 1 1 128 128 LEU H H 1 8.291 0.020 . 1 . . . . 128 LEU H . 25572 1 165 . 1 1 128 128 LEU C C 13 175.381 0.3 . 1 . . . . 128 LEU C . 25572 1 166 . 1 1 128 128 LEU CA C 13 52.748 0.3 . 1 . . . . 128 LEU CA . 25572 1 167 . 1 1 128 128 LEU CB C 13 37.960 0.3 . 1 . . . . 128 LEU CB . 25572 1 168 . 1 1 128 128 LEU N N 15 120.346 0.3 . 1 . . . . 128 LEU N . 25572 1 169 . 1 1 129 129 ALA H H 1 8.014 0.020 . 1 . . . . 129 ALA H . 25572 1 170 . 1 1 129 129 ALA CA C 13 52.823 0.3 . 1 . . . . 129 ALA CA . 25572 1 171 . 1 1 129 129 ALA CB C 13 17.576 0.3 . 1 . . . . 129 ALA CB . 25572 1 172 . 1 1 129 129 ALA N N 15 123.082 0.3 . 1 . . . . 129 ALA N . 25572 1 173 . 1 1 130 130 ALA H H 1 7.994 0.020 . 1 . . . . 130 ALA H . 25572 1 174 . 1 1 130 130 ALA CA C 13 62.836 0.3 . 1 . . . . 130 ALA CA . 25572 1 175 . 1 1 130 130 ALA CB C 13 17.669 0.3 . 1 . . . . 130 ALA CB . 25572 1 176 . 1 1 130 130 ALA N N 15 120.818 0.3 . 1 . . . . 130 ALA N . 25572 1 177 . 1 1 131 131 ALA H H 1 7.872 0.020 . 1 . . . . 131 ALA H . 25572 1 178 . 1 1 131 131 ALA CA C 13 52.748 0.3 . 1 . . . . 131 ALA CA . 25572 1 179 . 1 1 131 131 ALA CB C 13 17.669 0.3 . 1 . . . . 131 ALA CB . 25572 1 180 . 1 1 131 131 ALA N N 15 123.131 0.3 . 1 . . . . 131 ALA N . 25572 1 181 . 1 1 132 132 LEU H H 1 7.816 0.020 . 1 . . . . 132 LEU H . 25572 1 182 . 1 1 132 132 LEU C C 13 175.870 0.3 . 1 . . . . 132 LEU C . 25572 1 183 . 1 1 132 132 LEU CA C 13 55.040 0.3 . 1 . . . . 132 LEU CA . 25572 1 184 . 1 1 132 132 LEU CB C 13 41.284 0.3 . 1 . . . . 132 LEU CB . 25572 1 185 . 1 1 132 132 LEU N N 15 119.453 0.3 . 1 . . . . 132 LEU N . 25572 1 186 . 1 1 133 133 GLU H H 1 8.596 0.020 . 1 . . . . 133 GLU H . 25572 1 187 . 1 1 133 133 GLU CA C 13 54.571 0.3 . 1 . . . . 133 GLU CA . 25572 1 188 . 1 1 133 133 GLU CB C 13 28.254 0.3 . 1 . . . . 133 GLU CB . 25572 1 189 . 1 1 133 133 GLU N N 15 120.112 0.3 . 1 . . . . 133 GLU N . 25572 1 190 . 1 1 134 134 HIS H H 1 8.283 0.020 . 1 . . . . 134 HIS H . 25572 1 191 . 1 1 134 134 HIS C C 13 174.647 0.3 . 1 . . . . 134 HIS C . 25572 1 192 . 1 1 134 134 HIS CA C 13 55.384 0.3 . 1 . . . . 134 HIS CA . 25572 1 193 . 1 1 134 134 HIS CB C 13 27.757 0.3 . 1 . . . . 134 HIS CB . 25572 1 194 . 1 1 134 134 HIS N N 15 118.829 0.3 . 1 . . . . 134 HIS N . 25572 1 195 . 1 1 135 135 HIS H H 1 8.285 0.020 . 1 . . . . 135 HIS H . 25572 1 196 . 1 1 135 135 HIS CA C 13 55.614 0.3 . 1 . . . . 135 HIS CA . 25572 1 197 . 1 1 135 135 HIS CB C 13 29.706 0.3 . 1 . . . . 135 HIS CB . 25572 1 198 . 1 1 135 135 HIS N N 15 123.943 0.3 . 1 . . . . 135 HIS N . 25572 1 199 . 1 1 136 136 HIS H H 1 8.044 0.020 . 1 . . . . 136 HIS H . 25572 1 200 . 1 1 136 136 HIS CA C 13 61.345 0.3 . 1 . . . . 136 HIS CA . 25572 1 201 . 1 1 136 136 HIS CB C 13 31.884 0.3 . 1 . . . . 136 HIS CB . 25572 1 202 . 1 1 136 136 HIS N N 15 121.685 0.3 . 1 . . . . 136 HIS N . 25572 1 203 . 1 1 137 137 HIS H H 1 8.210 0.020 . 1 . . . . 137 HIS H . 25572 1 204 . 1 1 137 137 HIS CA C 13 55.957 0.3 . 1 . . . . 137 HIS CA . 25572 1 205 . 1 1 137 137 HIS CB C 13 27.528 0.3 . 1 . . . . 137 HIS CB . 25572 1 206 . 1 1 137 137 HIS N N 15 121.641 0.3 . 1 . . . . 137 HIS N . 25572 1 207 . 1 1 138 138 HIS H H 1 8.533 0.020 . 1 . . . . 138 HIS H . 25572 1 208 . 1 1 138 138 HIS CA C 13 54.696 0.3 . 1 . . . . 138 HIS CA . 25572 1 209 . 1 1 138 138 HIS CB C 13 28.445 0.3 . 1 . . . . 138 HIS CB . 25572 1 210 . 1 1 138 138 HIS N N 15 120.701 0.3 . 1 . . . . 138 HIS N . 25572 1 211 . 1 1 139 139 HIS H H 1 8.354 0.020 . 1 . . . . 139 HIS H . 25572 1 212 . 1 1 139 139 HIS C C 13 174.745 0.3 . 1 . . . . 139 HIS C . 25572 1 213 . 1 1 139 139 HIS CA C 13 52.404 0.3 . 1 . . . . 139 HIS CA . 25572 1 214 . 1 1 139 139 HIS CB C 13 37.272 0.3 . 1 . . . . 139 HIS CB . 25572 1 stop_ save_