################################### # 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 19397 _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 2 '3D 1H-15N TOCSY' . . . 19397 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 LEU HA H 1 4.640 . . . . . . A 1 LEU HA . 19397 1 2 . 1 1 1 1 LEU HB2 H 1 1.275 . . . . . . A 1 LEU HB2 . 19397 1 3 . 1 1 1 1 LEU HG H 1 1.189 . . . . . . A 1 LEU HG . 19397 1 4 . 1 1 1 1 LEU HD11 H 1 0.591 . . . . . . A 1 LEU HD11 . 19397 1 5 . 1 1 1 1 LEU HD12 H 1 0.591 . . . . . . A 1 LEU HD12 . 19397 1 6 . 1 1 1 1 LEU HD13 H 1 0.591 . . . . . . A 1 LEU HD13 . 19397 1 7 . 1 1 1 1 LEU HD21 H 1 0.480 . . . . . . A 1 LEU HD21 . 19397 1 8 . 1 1 1 1 LEU HD22 H 1 0.480 . . . . . . A 1 LEU HD22 . 19397 1 9 . 1 1 1 1 LEU HD23 H 1 0.480 . . . . . . A 1 LEU HD23 . 19397 1 10 . 1 1 1 1 LEU H H 1 8.669 . . . . . . A 1 LEU H1 . 19397 1 11 . 1 1 1 1 LEU N N 15 123.014 . . . . . . A 1 LEU N . 19397 1 12 . 1 1 2 2 CYS H H 1 8.271 . . . . . . A 2 CYS H . 19397 1 13 . 1 1 2 2 CYS HA H 1 4.643 . . . . . . A 2 CYS HA . 19397 1 14 . 1 1 2 2 CYS HB2 H 1 2.714 . . . . . . A 2 CYS HB2 . 19397 1 15 . 1 1 2 2 CYS N N 15 123.896 . . . . . . A 2 CYS N . 19397 1 16 . 1 1 3 3 VAL H H 1 8.930 . . . . . . A 3 VAL H . 19397 1 17 . 1 1 3 3 VAL HA H 1 4.225 . . . . . . A 3 VAL HA . 19397 1 18 . 1 1 3 3 VAL HB H 1 1.708 . . . . . . A 3 VAL HB . 19397 1 19 . 1 1 3 3 VAL HG11 H 1 0.588 . . . . . . A 3 VAL HG11 . 19397 1 20 . 1 1 3 3 VAL HG12 H 1 0.588 . . . . . . A 3 VAL HG12 . 19397 1 21 . 1 1 3 3 VAL HG13 H 1 0.588 . . . . . . A 3 VAL HG13 . 19397 1 22 . 1 1 3 3 VAL HG21 H 1 0.648 . . . . . . A 3 VAL HG21 . 19397 1 23 . 1 1 3 3 VAL HG22 H 1 0.648 . . . . . . A 3 VAL HG22 . 19397 1 24 . 1 1 3 3 VAL HG23 H 1 0.648 . . . . . . A 3 VAL HG23 . 19397 1 25 . 1 1 3 3 VAL N N 15 128.209 . . . . . . A 3 VAL N . 19397 1 26 . 1 1 4 4 HIS H H 1 8.723 . . . . . . A 4 HIS H . 19397 1 27 . 1 1 4 4 HIS HA H 1 5.364 . . . . . . A 4 HIS HA . 19397 1 28 . 1 1 4 4 HIS HB2 H 1 2.973 . . . . . . A 4 HIS HB2 . 19397 1 29 . 1 1 4 4 HIS HB3 H 1 2.734 . . . . . . A 4 HIS HB3 . 19397 1 30 . 1 1 4 4 HIS N N 15 126.227 . . . . . . A 4 HIS N . 19397 1 31 . 1 1 5 5 VAL H H 1 9.400 . . . . . . A 5 VAL H . 19397 1 32 . 1 1 5 5 VAL HA H 1 4.636 . . . . . . A 5 VAL HA . 19397 1 33 . 1 1 5 5 VAL HB H 1 2.100 . . . . . . A 5 VAL HB . 19397 1 34 . 1 1 5 5 VAL HG11 H 1 0.652 . . . . . . A 5 VAL HG11 . 19397 1 35 . 1 1 5 5 VAL HG12 H 1 0.652 . . . . . . A 5 VAL HG12 . 19397 1 36 . 1 1 5 5 VAL HG13 H 1 0.652 . . . . . . A 5 VAL HG13 . 19397 1 37 . 1 1 5 5 VAL HG21 H 1 0.817 . . . . . . A 5 VAL HG21 . 19397 1 38 . 1 1 5 5 VAL HG22 H 1 0.817 . . . . . . A 5 VAL HG22 . 19397 1 39 . 1 1 5 5 VAL HG23 H 1 0.817 . . . . . . A 5 VAL HG23 . 19397 1 40 . 1 1 5 5 VAL N N 15 122.706 . . . . . . A 5 VAL N . 19397 1 41 . 1 1 6 6 ARG H H 1 8.874 . . . . . . A 6 ARG H . 19397 1 42 . 1 1 6 6 ARG HA H 1 4.992 . . . . . . A 6 ARG HA . 19397 1 43 . 1 1 6 6 ARG HB2 H 1 1.898 . . . . . . A 6 ARG HB2 . 19397 1 44 . 1 1 6 6 ARG HG2 H 1 1.714 . . . . . . A 6 ARG HG2 . 19397 1 45 . 1 1 6 6 ARG HD2 H 1 3.175 . . . . . . A 6 ARG HD2 . 19397 1 46 . 1 1 6 6 ARG N N 15 130.121 . . . . . . A 6 ARG N . 19397 1 47 . 1 1 7 7 SER H H 1 8.936 . . . . . . A 7 SER H . 19397 1 48 . 1 1 7 7 SER HA H 1 5.085 . . . . . . A 7 SER HA . 19397 1 49 . 1 1 7 7 SER HB2 H 1 4.023 . . . . . . A 7 SER HB2 . 19397 1 50 . 1 1 7 7 SER N N 15 117.297 . . . . . . A 7 SER N . 19397 1 51 . 1 1 10 10 TRP H H 1 7.235 . . . . . . A 10 TRP H . 19397 1 52 . 1 1 10 10 TRP HA H 1 4.745 . . . . . . A 10 TRP HA . 19397 1 53 . 1 1 10 10 TRP HB2 H 1 3.770 . . . . . . A 10 TRP HB2 . 19397 1 54 . 1 1 10 10 TRP HE1 H 1 9.910 . . . . . . A 10 TRP HE1 . 19397 1 55 . 1 1 10 10 TRP NE1 N 15 128.279 . . . . . . A 10 TRP NE1 . 19397 1 56 . 1 1 11 11 ASP H H 1 7.665 . . . . . . A 11 ASP H . 19397 1 57 . 1 1 11 11 ASP HA H 1 4.791 . . . . . . A 11 ASP HA . 19397 1 58 . 1 1 11 11 ASP HB2 H 1 3.340 . . . . . . A 11 ASP HB2 . 19397 1 59 . 1 1 11 11 ASP HB3 H 1 2.948 . . . . . . A 11 ASP HB3 . 19397 1 60 . 1 1 11 11 ASP N N 15 117.787 . . . . . . A 11 ASP N . 19397 1 61 . 1 1 13 13 MET H H 1 8.827 . . . . . . A 13 MET H . 19397 1 62 . 1 1 13 13 MET HA H 1 4.858 . . . . . . A 13 MET HA . 19397 1 63 . 1 1 13 13 MET HB2 H 1 2.363 . . . . . . A 13 MET HB2 . 19397 1 64 . 1 1 13 13 MET HG2 H 1 2.948 . . . . . . A 13 MET HG2 . 19397 1 65 . 1 1 13 13 MET N N 15 122.940 . . . . . . A 13 MET N . 19397 1 66 . 1 1 14 14 THR H H 1 8.273 . . . . . . A 14 THR H . 19397 1 67 . 1 1 14 14 THR HA H 1 5.262 . . . . . . A 14 THR HA . 19397 1 68 . 1 1 14 14 THR HB H 1 4.706 . . . . . . A 14 THR HB . 19397 1 69 . 1 1 14 14 THR HG21 H 1 2.492 . . . . . . A 14 THR HG21 . 19397 1 70 . 1 1 14 14 THR HG22 H 1 2.492 . . . . . . A 14 THR HG22 . 19397 1 71 . 1 1 14 14 THR HG23 H 1 2.492 . . . . . . A 14 THR HG23 . 19397 1 72 . 1 1 14 14 THR N N 15 121.214 . . . . . . A 14 THR N . 19397 1 73 . 1 1 16 16 ASP H H 1 8.719 . . . . . . A 16 ASP H . 19397 1 74 . 1 1 16 16 ASP HA H 1 4.621 . . . . . . A 16 ASP HA . 19397 1 75 . 1 1 16 16 ASP HB2 H 1 1.278 . . . . . . A 16 ASP HB2 . 19397 1 76 . 1 1 16 16 ASP HB3 H 1 1.177 . . . . . . A 16 ASP HB3 . 19397 1 77 . 1 1 16 16 ASP N N 15 122.962 . . . . . . A 16 ASP N . 19397 1 78 . 1 1 17 17 ALA H H 1 8.670 . . . . . . A 17 ALA H . 19397 1 79 . 1 1 17 17 ALA HA H 1 5.131 . . . . . . A 17 ALA HA . 19397 1 80 . 1 1 17 17 ALA HB1 H 1 2.164 . . . . . . A 17 ALA HB1 . 19397 1 81 . 1 1 17 17 ALA HB2 H 1 2.164 . . . . . . A 17 ALA HB2 . 19397 1 82 . 1 1 17 17 ALA HB3 H 1 2.164 . . . . . . A 17 ALA HB3 . 19397 1 83 . 1 1 17 17 ALA N N 15 118.368 . . . . . . A 17 ALA N . 19397 1 84 . 1 1 18 18 ASN N N 15 123.103 . . . . . . A 18 ASN N . 19397 1 85 . 1 1 20 20 TYR H H 1 7.004 . . . . . . A 20 TYR H . 19397 1 86 . 1 1 20 20 TYR HA H 1 4.588 . . . . . . A 20 TYR HA . 19397 1 87 . 1 1 20 20 TYR HB2 H 1 3.157 . . . . . . A 20 TYR HB2 . 19397 1 88 . 1 1 20 20 TYR HB3 H 1 3.110 . . . . . . A 20 TYR HB3 . 19397 1 89 . 1 1 20 20 TYR N N 15 128.229 . . . . . . A 20 TYR N . 19397 1 90 . 1 1 21 21 ASP H H 1 7.590 . . . . . . A 21 ASP H . 19397 1 91 . 1 1 21 21 ASP HA H 1 4.671 . . . . . . A 21 ASP HA . 19397 1 92 . 1 1 21 21 ASP HB2 H 1 2.885 . . . . . . A 21 ASP HB2 . 19397 1 93 . 1 1 21 21 ASP HB3 H 1 2.632 . . . . . . A 21 ASP HB3 . 19397 1 94 . 1 1 23 23 VAL H H 1 8.753 . . . . . . A 23 VAL H . 19397 1 95 . 1 1 23 23 VAL HA H 1 3.415 . . . . . . A 23 VAL HA . 19397 1 96 . 1 1 23 23 VAL HB H 1 2.487 . . . . . . A 23 VAL HB . 19397 1 97 . 1 1 23 23 VAL HG11 H 1 0.647 . . . . . . A 23 VAL HG11 . 19397 1 98 . 1 1 23 23 VAL HG12 H 1 0.647 . . . . . . A 23 VAL HG12 . 19397 1 99 . 1 1 23 23 VAL HG13 H 1 0.647 . . . . . . A 23 VAL HG13 . 19397 1 100 . 1 1 23 23 VAL HG21 H 1 0.971 . . . . . . A 23 VAL HG21 . 19397 1 101 . 1 1 23 23 VAL HG22 H 1 0.971 . . . . . . A 23 VAL HG22 . 19397 1 102 . 1 1 23 23 VAL HG23 H 1 0.971 . . . . . . A 23 VAL HG23 . 19397 1 103 . 1 1 23 23 VAL N N 15 123.649 . . . . . . A 23 VAL N . 19397 1 104 . 1 1 25 25 LYS H H 1 7.760 . . . . . . A 25 LYS H . 19397 1 105 . 1 1 25 25 LYS HA H 1 3.871 . . . . . . A 25 LYS HA . 19397 1 106 . 1 1 25 25 LYS HB2 H 1 1.923 . . . . . . A 25 LYS HB2 . 19397 1 107 . 1 1 25 25 LYS HB3 H 1 1.358 . . . . . . A 25 LYS HB3 . 19397 1 108 . 1 1 25 25 LYS HG2 H 1 1.759 . . . . . . A 25 LYS HG2 . 19397 1 109 . 1 1 25 25 LYS N N 15 119.120 . . . . . . A 25 LYS N . 19397 1 110 . 1 1 26 26 ILE H H 1 7.324 . . . . . . A 26 ILE H . 19397 1 111 . 1 1 26 26 ILE HA H 1 3.508 . . . . . . A 26 ILE HA . 19397 1 112 . 1 1 26 26 ILE HB H 1 2.214 . . . . . . A 26 ILE HB . 19397 1 113 . 1 1 26 26 ILE HG12 H 1 0.739 . . . . . . A 26 ILE HG12 . 19397 1 114 . 1 1 26 26 ILE N N 15 117.483 . . . . . . A 26 ILE N . 19397 1 115 . 1 1 27 27 LYS H H 1 7.665 . . . . . . A 27 LYS H . 19397 1 116 . 1 1 27 27 LYS HA H 1 4.400 . . . . . . A 27 LYS HA . 19397 1 117 . 1 1 27 27 LYS HB2 H 1 2.202 . . . . . . A 27 LYS HB2 . 19397 1 118 . 1 1 27 27 LYS HB3 H 1 1.911 . . . . . . A 27 LYS HB3 . 19397 1 119 . 1 1 27 27 LYS N N 15 119.349 . . . . . . A 27 LYS N . 19397 1 120 . 1 1 28 28 GLU H H 1 8.379 . . . . . . A 28 GLU H . 19397 1 121 . 1 1 28 28 GLU HA H 1 3.770 . . . . . . A 28 GLU HA . 19397 1 122 . 1 1 28 28 GLU HB2 H 1 2.054 . . . . . . A 28 GLU HB2 . 19397 1 123 . 1 1 28 28 GLU HG2 H 1 2.363 . . . . . . A 28 GLU HG2 . 19397 1 124 . 1 1 28 28 GLU N N 15 121.785 . . . . . . A 28 GLU N . 19397 1 125 . 1 1 29 29 HIS H H 1 7.590 . . . . . . A 29 HIS H . 19397 1 126 . 1 1 29 29 HIS HA H 1 4.203 . . . . . . A 29 HIS HA . 19397 1 127 . 1 1 29 29 HIS HB2 H 1 2.492 . . . . . . A 29 HIS HB2 . 19397 1 128 . 1 1 29 29 HIS HB3 H 1 1.835 . . . . . . A 29 HIS HB3 . 19397 1 129 . 1 1 29 29 HIS N N 15 122.422 . . . . . . A 29 HIS N . 19397 1 130 . 1 1 30 30 VAL H H 1 8.412 . . . . . . A 30 VAL H . 19397 1 131 . 1 1 30 30 VAL HA H 1 3.477 . . . . . . A 30 VAL HA . 19397 1 132 . 1 1 30 30 VAL HB H 1 2.543 . . . . . . A 30 VAL HB . 19397 1 133 . 1 1 30 30 VAL HG11 H 1 0.557 . . . . . . A 30 VAL HG11 . 19397 1 134 . 1 1 30 30 VAL HG12 H 1 0.557 . . . . . . A 30 VAL HG12 . 19397 1 135 . 1 1 30 30 VAL HG13 H 1 0.557 . . . . . . A 30 VAL HG13 . 19397 1 136 . 1 1 30 30 VAL HG21 H 1 1.025 . . . . . . A 30 VAL HG21 . 19397 1 137 . 1 1 30 30 VAL HG22 H 1 1.025 . . . . . . A 30 VAL HG22 . 19397 1 138 . 1 1 30 30 VAL HG23 H 1 1.025 . . . . . . A 30 VAL HG23 . 19397 1 139 . 1 1 30 30 VAL N N 15 121.437 . . . . . . A 30 VAL N . 19397 1 140 . 1 1 32 32 SER N N 15 121.037 . . . . . . A 32 SER N . 19397 1 141 . 1 1 33 33 LYS H H 1 8.918 . . . . . . A 33 LYS H . 19397 1 142 . 1 1 33 33 LYS HA H 1 3.757 . . . . . . A 33 LYS HA . 19397 1 143 . 1 1 33 33 LYS HB2 H 1 2.037 . . . . . . A 33 LYS HB2 . 19397 1 144 . 1 1 33 33 LYS HB3 H 1 1.557 . . . . . . A 33 LYS HB3 . 19397 1 145 . 1 1 33 33 LYS N N 15 125.831 . . . . . . A 33 LYS N . 19397 1 146 . 1 1 34 34 THR H H 1 7.961 . . . . . . A 34 THR H . 19397 1 147 . 1 1 34 34 THR HA H 1 4.111 . . . . . . A 34 THR HA . 19397 1 148 . 1 1 34 34 THR HB H 1 4.004 . . . . . . A 34 THR HB . 19397 1 149 . 1 1 34 34 THR HG21 H 1 0.971 . . . . . . A 34 THR HG21 . 19397 1 150 . 1 1 34 34 THR HG22 H 1 0.971 . . . . . . A 34 THR HG22 . 19397 1 151 . 1 1 34 34 THR HG23 H 1 0.971 . . . . . . A 34 THR HG23 . 19397 1 152 . 1 1 34 34 THR N N 15 116.691 . . . . . . A 34 THR N . 19397 1 153 . 1 1 35 35 LYS H H 1 7.064 . . . . . . A 35 LYS H . 19397 1 154 . 1 1 35 35 LYS HA H 1 4.352 . . . . . . A 35 LYS HA . 19397 1 155 . 1 1 35 35 LYS HB2 H 1 1.938 . . . . . . A 35 LYS HB2 . 19397 1 156 . 1 1 35 35 LYS HB3 H 1 1.877 . . . . . . A 35 LYS HB3 . 19397 1 157 . 1 1 35 35 LYS HG2 H 1 1.479 . . . . . . A 35 LYS HG2 . 19397 1 158 . 1 1 35 35 LYS HD2 H 1 1.673 . . . . . . A 35 LYS HD2 . 19397 1 159 . 1 1 35 35 LYS HE2 H 1 2.935 . . . . . . A 35 LYS HE2 . 19397 1 160 . 1 1 35 35 LYS N N 15 117.623 . . . . . . A 35 LYS N . 19397 1 161 . 1 1 36 36 VAL H H 1 7.918 . . . . . . A 36 VAL H . 19397 1 162 . 1 1 36 36 VAL HA H 1 3.770 . . . . . . A 36 VAL HA . 19397 1 163 . 1 1 36 36 VAL HB H 1 2.935 . . . . . . A 36 VAL HB . 19397 1 164 . 1 1 36 36 VAL HG11 H 1 0.028 . . . . . . A 36 VAL HG11 . 19397 1 165 . 1 1 36 36 VAL HG12 H 1 0.028 . . . . . . A 36 VAL HG12 . 19397 1 166 . 1 1 36 36 VAL HG13 H 1 0.028 . . . . . . A 36 VAL HG13 . 19397 1 167 . 1 1 36 36 VAL HG21 H 1 0.570 . . . . . . A 36 VAL HG21 . 19397 1 168 . 1 1 36 36 VAL HG22 H 1 0.570 . . . . . . A 36 VAL HG22 . 19397 1 169 . 1 1 36 36 VAL HG23 H 1 0.570 . . . . . . A 36 VAL HG23 . 19397 1 170 . 1 1 36 36 VAL N N 15 125.248 . . . . . . A 36 VAL N . 19397 1 171 . 1 1 38 38 VAL H H 1 8.409 . . . . . . A 38 VAL H . 19397 1 172 . 1 1 38 38 VAL HA H 1 4.078 . . . . . . A 38 VAL HA . 19397 1 173 . 1 1 38 38 VAL HB H 1 1.923 . . . . . . A 38 VAL HB . 19397 1 174 . 1 1 38 38 VAL HG11 H 1 0.809 . . . . . . A 38 VAL HG11 . 19397 1 175 . 1 1 38 38 VAL HG12 H 1 0.809 . . . . . . A 38 VAL HG12 . 19397 1 176 . 1 1 38 38 VAL HG13 H 1 0.809 . . . . . . A 38 VAL HG13 . 19397 1 177 . 1 1 38 38 VAL HG21 H 1 0.867 . . . . . . A 38 VAL HG21 . 19397 1 178 . 1 1 38 38 VAL HG22 H 1 0.867 . . . . . . A 38 VAL HG22 . 19397 1 179 . 1 1 38 38 VAL HG23 H 1 0.867 . . . . . . A 38 VAL HG23 . 19397 1 180 . 1 1 39 39 GLN H H 1 8.793 . . . . . . A 39 GLN H . 19397 1 181 . 1 1 39 39 GLN HA H 1 4.162 . . . . . . A 39 GLN HA . 19397 1 182 . 1 1 39 39 GLN HB2 H 1 2.031 . . . . . . A 39 GLN HB2 . 19397 1 183 . 1 1 39 39 GLN HB3 H 1 1.937 . . . . . . A 39 GLN HB3 . 19397 1 184 . 1 1 39 39 GLN HG2 H 1 2.378 . . . . . . A 39 GLN HG2 . 19397 1 185 . 1 1 39 39 GLN N N 15 115.805 . . . . . . A 39 GLN N . 19397 1 186 . 1 1 40 40 ASP H H 1 7.590 . . . . . . A 40 ASP H . 19397 1 187 . 1 1 40 40 ASP HA H 1 4.769 . . . . . . A 40 ASP HA . 19397 1 188 . 1 1 40 40 ASP HB2 H 1 3.074 . . . . . . A 40 ASP HB2 . 19397 1 189 . 1 1 40 40 ASP HB3 H 1 2.467 . . . . . . A 40 ASP HB3 . 19397 1 190 . 1 1 40 40 ASP N N 15 120.069 . . . . . . A 40 ASP N . 19397 1 191 . 1 1 41 41 GLN H H 1 7.046 . . . . . . A 41 GLN H . 19397 1 192 . 1 1 41 41 GLN HA H 1 4.453 . . . . . . A 41 GLN HA . 19397 1 193 . 1 1 41 41 GLN HB2 H 1 1.835 . . . . . . A 41 GLN HB2 . 19397 1 194 . 1 1 41 41 GLN HB3 H 1 1.569 . . . . . . A 41 GLN HB3 . 19397 1 195 . 1 1 41 41 GLN HG2 H 1 2.556 . . . . . . A 41 GLN HG2 . 19397 1 196 . 1 1 41 41 GLN HG3 H 1 2.463 . . . . . . A 41 GLN HG3 . 19397 1 197 . 1 1 41 41 GLN N N 15 117.974 . . . . . . A 41 GLN N . 19397 1 198 . 1 1 42 42 VAL H H 1 8.842 . . . . . . A 42 VAL H . 19397 1 199 . 1 1 42 42 VAL HA H 1 4.175 . . . . . . A 42 VAL HA . 19397 1 200 . 1 1 42 42 VAL HB H 1 1.873 . . . . . . A 42 VAL HB . 19397 1 201 . 1 1 42 42 VAL HG11 H 1 0.779 . . . . . . A 42 VAL HG11 . 19397 1 202 . 1 1 42 42 VAL HG12 H 1 0.779 . . . . . . A 42 VAL HG12 . 19397 1 203 . 1 1 42 42 VAL HG13 H 1 0.779 . . . . . . A 42 VAL HG13 . 19397 1 204 . 1 1 42 42 VAL HG21 H 1 0.851 . . . . . . A 42 VAL HG21 . 19397 1 205 . 1 1 42 42 VAL HG22 H 1 0.851 . . . . . . A 42 VAL HG22 . 19397 1 206 . 1 1 42 42 VAL HG23 H 1 0.851 . . . . . . A 42 VAL HG23 . 19397 1 207 . 1 1 42 42 VAL N N 15 123.686 . . . . . . A 42 VAL N . 19397 1 208 . 1 1 43 43 LEU H H 1 9.208 . . . . . . A 43 LEU H . 19397 1 209 . 1 1 43 43 LEU HA H 1 5.450 . . . . . . A 43 LEU HA . 19397 1 210 . 1 1 43 43 LEU HB2 H 1 1.519 . . . . . . A 43 LEU HB2 . 19397 1 211 . 1 1 43 43 LEU HG H 1 1.114 . . . . . . A 43 LEU HG . 19397 1 212 . 1 1 43 43 LEU N N 15 126.600 . . . . . . A 43 LEU N . 19397 1 213 . 1 1 44 44 LEU H H 1 9.107 . . . . . . A 44 LEU H . 19397 1 214 . 1 1 44 44 LEU HA H 1 5.178 . . . . . . A 44 LEU HA . 19397 1 215 . 1 1 44 44 LEU HB2 H 1 1.455 . . . . . . A 44 LEU HB2 . 19397 1 216 . 1 1 44 44 LEU HG H 1 1.319 . . . . . . A 44 LEU HG . 19397 1 217 . 1 1 44 44 LEU HD11 H 1 0.722 . . . . . . A 44 LEU HD11 . 19397 1 218 . 1 1 44 44 LEU HD12 H 1 0.722 . . . . . . A 44 LEU HD12 . 19397 1 219 . 1 1 44 44 LEU HD13 H 1 0.722 . . . . . . A 44 LEU HD13 . 19397 1 220 . 1 1 44 44 LEU N N 15 120.515 . . . . . . A 44 LEU N . 19397 1 221 . 1 1 45 45 LEU H H 1 8.551 . . . . . . A 45 LEU H . 19397 1 222 . 1 1 45 45 LEU HA H 1 4.706 . . . . . . A 45 LEU HA . 19397 1 223 . 1 1 45 45 LEU HB2 H 1 1.759 . . . . . . A 45 LEU HB2 . 19397 1 224 . 1 1 45 45 LEU HG H 1 1.485 . . . . . . A 45 LEU HG . 19397 1 225 . 1 1 45 45 LEU HD11 H 1 0.954 . . . . . . A 45 LEU HD11 . 19397 1 226 . 1 1 45 45 LEU HD12 H 1 0.954 . . . . . . A 45 LEU HD12 . 19397 1 227 . 1 1 45 45 LEU HD13 H 1 0.954 . . . . . . A 45 LEU HD13 . 19397 1 228 . 1 1 45 45 LEU N N 15 124.199 . . . . . . A 45 LEU N . 19397 1 229 . 1 1 48 48 LYS H H 1 7.982 . . . . . . A 48 LYS H . 19397 1 230 . 1 1 48 48 LYS HA H 1 4.339 . . . . . . A 48 LYS HA . 19397 1 231 . 1 1 48 48 LYS HB2 H 1 1.916 . . . . . . A 48 LYS HB2 . 19397 1 232 . 1 1 48 48 LYS HB3 H 1 1.832 . . . . . . A 48 LYS HB3 . 19397 1 233 . 1 1 48 48 LYS HG2 H 1 1.475 . . . . . . A 48 LYS HG2 . 19397 1 234 . 1 1 48 48 LYS HG3 H 1 1.412 . . . . . . A 48 LYS HG3 . 19397 1 235 . 1 1 48 48 LYS HD2 H 1 1.747 . . . . . . A 48 LYS HD2 . 19397 1 236 . 1 1 48 48 LYS HE2 H 1 3.112 . . . . . . A 48 LYS HE2 . 19397 1 237 . 1 1 48 48 LYS N N 15 124.618 . . . . . . A 48 LYS N . 19397 1 238 . 1 1 49 49 ILE H H 1 8.399 . . . . . . A 49 ILE H . 19397 1 239 . 1 1 49 49 ILE HA H 1 4.018 . . . . . . A 49 ILE HA . 19397 1 240 . 1 1 49 49 ILE HB H 1 1.607 . . . . . . A 49 ILE HB . 19397 1 241 . 1 1 49 49 ILE HD11 H 1 0.844 . . . . . . A 49 ILE HD11 . 19397 1 242 . 1 1 49 49 ILE HD12 H 1 0.844 . . . . . . A 49 ILE HD12 . 19397 1 243 . 1 1 49 49 ILE HD13 H 1 0.844 . . . . . . A 49 ILE HD13 . 19397 1 244 . 1 1 49 49 ILE N N 15 126.507 . . . . . . A 49 ILE N . 19397 1 245 . 1 1 50 50 LEU H H 1 8.652 . . . . . . A 50 LEU H . 19397 1 246 . 1 1 50 50 LEU HA H 1 4.126 . . . . . . A 50 LEU HA . 19397 1 247 . 1 1 50 50 LEU HB2 H 1 1.544 . . . . . . A 50 LEU HB2 . 19397 1 248 . 1 1 50 50 LEU HG H 1 1.358 . . . . . . A 50 LEU HG . 19397 1 249 . 1 1 50 50 LEU HD11 H 1 1.018 . . . . . . A 50 LEU HD11 . 19397 1 250 . 1 1 50 50 LEU HD12 H 1 1.018 . . . . . . A 50 LEU HD12 . 19397 1 251 . 1 1 50 50 LEU HD13 H 1 1.018 . . . . . . A 50 LEU HD13 . 19397 1 252 . 1 1 50 50 LEU N N 15 128.139 . . . . . . A 50 LEU N . 19397 1 253 . 1 1 51 51 LYS H H 1 8.132 . . . . . . A 51 LYS H . 19397 1 254 . 1 1 51 51 LYS HA H 1 4.714 . . . . . . A 51 LYS HA . 19397 1 255 . 1 1 51 51 LYS HB2 H 1 2.075 . . . . . . A 51 LYS HB2 . 19397 1 256 . 1 1 51 51 LYS HB3 H 1 1.683 . . . . . . A 51 LYS HB3 . 19397 1 257 . 1 1 51 51 LYS HG2 H 1 1.493 . . . . . . A 51 LYS HG2 . 19397 1 258 . 1 1 51 51 LYS N N 15 123.009 . . . . . . A 51 LYS N . 19397 1 259 . 1 1 56 56 LEU H H 1 8.627 . . . . . . A 56 LEU H . 19397 1 260 . 1 1 56 56 LEU HA H 1 4.188 . . . . . . A 56 LEU HA . 19397 1 261 . 1 1 56 56 LEU HB2 H 1 2.050 . . . . . . A 56 LEU HB2 . 19397 1 262 . 1 1 56 56 LEU HG H 1 1.714 . . . . . . A 56 LEU HG . 19397 1 263 . 1 1 56 56 LEU N N 15 123.359 . . . . . . A 56 LEU N . 19397 1 264 . 1 1 57 57 SER H H 1 8.719 . . . . . . A 57 SER H . 19397 1 265 . 1 1 57 57 SER HA H 1 4.265 . . . . . . A 57 SER HA . 19397 1 266 . 1 1 57 57 SER N N 15 113.706 . . . . . . A 57 SER N . 19397 1 267 . 1 1 59 59 TYR H H 1 7.737 . . . . . . A 59 TYR H . 19397 1 268 . 1 1 59 59 TYR HA H 1 4.536 . . . . . . A 59 TYR HA . 19397 1 269 . 1 1 59 59 TYR HB2 H 1 3.338 . . . . . . A 59 TYR HB2 . 19397 1 270 . 1 1 59 59 TYR HB3 H 1 2.753 . . . . . . A 59 TYR HB3 . 19397 1 271 . 1 1 59 59 TYR N N 15 120.883 . . . . . . A 59 TYR N . 19397 1 272 . 1 1 61 61 ILE H H 1 6.997 . . . . . . A 61 ILE H . 19397 1 273 . 1 1 61 61 ILE HA H 1 4.099 . . . . . . A 61 ILE HA . 19397 1 274 . 1 1 61 61 ILE HB H 1 1.784 . . . . . . A 61 ILE HB . 19397 1 275 . 1 1 61 61 ILE HG12 H 1 1.278 . . . . . . A 61 ILE HG12 . 19397 1 276 . 1 1 61 61 ILE HG13 H 1 1.141 . . . . . . A 61 ILE HG13 . 19397 1 277 . 1 1 61 61 ILE HD11 H 1 0.770 . . . . . . A 61 ILE HD11 . 19397 1 278 . 1 1 61 61 ILE HD12 H 1 0.770 . . . . . . A 61 ILE HD12 . 19397 1 279 . 1 1 61 61 ILE HD13 H 1 0.770 . . . . . . A 61 ILE HD13 . 19397 1 280 . 1 1 61 61 ILE N N 15 117.591 . . . . . . A 61 ILE N . 19397 1 281 . 1 1 64 64 GLU H H 1 8.132 . . . . . . A 64 GLU H . 19397 1 282 . 1 1 64 64 GLU HA H 1 4.559 . . . . . . A 64 GLU HA . 19397 1 283 . 1 1 64 64 GLU HB2 H 1 1.911 . . . . . . A 64 GLU HB2 . 19397 1 284 . 1 1 64 64 GLU HB3 H 1 1.759 . . . . . . A 64 GLU HB3 . 19397 1 285 . 1 1 64 64 GLU HG2 H 1 2.657 . . . . . . A 64 GLU HG2 . 19397 1 286 . 1 1 64 64 GLU HG3 H 1 2.533 . . . . . . A 64 GLU HG3 . 19397 1 287 . 1 1 64 64 GLU N N 15 126.670 . . . . . . A 64 GLU N . 19397 1 288 . 1 1 67 67 ILE H H 1 8.488 . . . . . . A 67 ILE H . 19397 1 289 . 1 1 67 67 ILE HA H 1 4.497 . . . . . . A 67 ILE HA . 19397 1 290 . 1 1 67 67 ILE HB H 1 1.721 . . . . . . A 67 ILE HB . 19397 1 291 . 1 1 67 67 ILE HG12 H 1 1.025 . . . . . . A 67 ILE HG12 . 19397 1 292 . 1 1 67 67 ILE HG13 H 1 0.494 . . . . . . A 67 ILE HG13 . 19397 1 293 . 1 1 67 67 ILE HG21 H 1 0.785 . . . . . . A 67 ILE HG21 . 19397 1 294 . 1 1 67 67 ILE HG22 H 1 0.785 . . . . . . A 67 ILE HG22 . 19397 1 295 . 1 1 67 67 ILE HG23 H 1 0.785 . . . . . . A 67 ILE HG23 . 19397 1 296 . 1 1 67 67 ILE N N 15 121.803 . . . . . . A 67 ILE N . 19397 1 297 . 1 1 68 68 HIS H H 1 8.425 . . . . . . A 68 HIS H . 19397 1 298 . 1 1 68 68 HIS HA H 1 5.131 . . . . . . A 68 HIS HA . 19397 1 299 . 1 1 68 68 HIS HB2 H 1 3.013 . . . . . . A 68 HIS HB2 . 19397 1 300 . 1 1 68 68 HIS HB3 H 1 2.929 . . . . . . A 68 HIS HB3 . 19397 1 301 . 1 1 68 68 HIS N N 15 124.455 . . . . . . A 68 HIS N . 19397 1 302 . 1 1 69 69 LEU H H 1 9.322 . . . . . . A 69 LEU H . 19397 1 303 . 1 1 69 69 LEU HA H 1 5.317 . . . . . . A 69 LEU HA . 19397 1 304 . 1 1 69 69 LEU HB2 H 1 1.797 . . . . . . A 69 LEU HB2 . 19397 1 305 . 1 1 69 69 LEU HG H 1 1.373 . . . . . . A 69 LEU HG . 19397 1 306 . 1 1 69 69 LEU N N 15 122.823 . . . . . . A 69 LEU N . 19397 1 307 . 1 1 70 70 THR H H 1 9.107 . . . . . . A 70 THR H . 19397 1 308 . 1 1 70 70 THR HA H 1 5.009 . . . . . . A 70 THR HA . 19397 1 309 . 1 1 70 70 THR HB H 1 4.010 . . . . . . A 70 THR HB . 19397 1 310 . 1 1 70 70 THR HG21 H 1 1.177 . . . . . . A 70 THR HG21 . 19397 1 311 . 1 1 70 70 THR HG22 H 1 1.177 . . . . . . A 70 THR HG22 . 19397 1 312 . 1 1 70 70 THR HG23 H 1 1.177 . . . . . . A 70 THR HG23 . 19397 1 313 . 1 1 70 70 THR N N 15 118.743 . . . . . . A 70 THR N . 19397 1 314 . 1 1 71 71 LEU H H 1 8.829 . . . . . . A 71 LEU H . 19397 1 315 . 1 1 71 71 LEU HA H 1 5.363 . . . . . . A 71 LEU HA . 19397 1 316 . 1 1 71 71 LEU HB2 H 1 1.683 . . . . . . A 71 LEU HB2 . 19397 1 317 . 1 1 71 71 LEU HG H 1 1.373 . . . . . . A 71 LEU HG . 19397 1 318 . 1 1 71 71 LEU HD11 H 1 1.139 . . . . . . A 71 LEU HD11 . 19397 1 319 . 1 1 71 71 LEU HD12 H 1 1.139 . . . . . . A 71 LEU HD12 . 19397 1 320 . 1 1 71 71 LEU HD13 H 1 1.139 . . . . . . A 71 LEU HD13 . 19397 1 321 . 1 1 71 71 LEU N N 15 126.880 . . . . . . A 71 LEU N . 19397 1 322 . 1 1 72 72 LYS H H 1 9.570 . . . . . . A 72 LYS H . 19397 1 323 . 1 1 72 72 LYS HA H 1 4.683 . . . . . . A 72 LYS HA . 19397 1 324 . 1 1 72 72 LYS HB2 H 1 1.771 . . . . . . A 72 LYS HB2 . 19397 1 325 . 1 1 72 72 LYS HG2 H 1 1.450 . . . . . . A 72 LYS HG2 . 19397 1 326 . 1 1 72 72 LYS HD2 H 1 1.510 . . . . . . A 72 LYS HD2 . 19397 1 327 . 1 1 72 72 LYS HE2 H 1 2.910 . . . . . . A 72 LYS HE2 . 19397 1 328 . 1 1 72 72 LYS N N 15 128.792 . . . . . . A 72 LYS N . 19397 1 329 . 1 1 73 73 VAL H H 1 8.488 . . . . . . A 73 VAL H . 19397 1 330 . 1 1 73 73 VAL HA H 1 4.807 . . . . . . A 73 VAL HA . 19397 1 331 . 1 1 73 73 VAL HB H 1 2.075 . . . . . . A 73 VAL HB . 19397 1 332 . 1 1 73 73 VAL HG21 H 1 1.051 . . . . . . A 73 VAL HG21 . 19397 1 333 . 1 1 73 73 VAL HG22 H 1 1.051 . . . . . . A 73 VAL HG22 . 19397 1 334 . 1 1 73 73 VAL HG23 H 1 1.051 . . . . . . A 73 VAL HG23 . 19397 1 335 . 1 1 73 73 VAL N N 15 120.771 . . . . . . A 73 VAL N . 19397 1 336 . 1 1 74 74 VAL H H 1 8.715 . . . . . . A 74 VAL H . 19397 1 337 . 1 1 74 74 VAL HA H 1 3.956 . . . . . . A 74 VAL HA . 19397 1 338 . 1 1 74 74 VAL HB H 1 1.974 . . . . . . A 74 VAL HB . 19397 1 339 . 1 1 74 74 VAL HG21 H 1 0.848 . . . . . . A 74 VAL HG21 . 19397 1 340 . 1 1 74 74 VAL HG22 H 1 0.848 . . . . . . A 74 VAL HG22 . 19397 1 341 . 1 1 74 74 VAL HG23 H 1 0.848 . . . . . . A 74 VAL HG23 . 19397 1 342 . 1 1 74 74 VAL N N 15 127.859 . . . . . . A 74 VAL N . 19397 1 343 . 1 1 75 75 LYS H H 1 7.729 . . . . . . A 75 LYS H . 19397 1 344 . 1 1 75 75 LYS HA H 1 4.203 . . . . . . A 75 LYS HA . 19397 1 345 . 1 1 75 75 LYS HB2 H 1 1.772 . . . . . . A 75 LYS HB2 . 19397 1 346 . 1 1 75 75 LYS HB3 H 1 1.652 . . . . . . A 75 LYS HB3 . 19397 1 347 . 1 1 75 75 LYS HG2 H 1 1.342 . . . . . . A 75 LYS HG2 . 19397 1 348 . 1 1 75 75 LYS N N 15 130.074 . . . . . . A 75 LYS N . 19397 1 stop_ save_