################################### # 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 18391 _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 0.02 _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 'Assignments from 2D spectra' _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 '2D 1H-1H TOCSY' . . . 18391 1 3 '2D 1H-1H NOESY' . . . 18391 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 10 10 GLU HA H 1 4.245 0.020 . 1 . . . A 718 GLU HA . 18391 1 2 . 1 1 11 11 GLY H H 1 8.382 0.020 . 1 . . . A 719 GLY H . 18391 1 3 . 1 1 11 11 GLY HA2 H 1 3.950 0.020 . 1 . . . A 719 GLY HA2 . 18391 1 4 . 1 1 11 11 GLY HA3 H 1 3.950 0.020 . 1 . . . A 719 GLY HA3 . 18391 1 5 . 1 1 12 12 VAL H H 1 7.911 0.020 . 1 . . . A 720 VAL H . 18391 1 6 . 1 1 12 12 VAL HA H 1 4.116 0.020 . 1 . . . A 720 VAL HA . 18391 1 7 . 1 1 12 12 VAL HB H 1 2.064 0.020 . 1 . . . A 720 VAL HB . 18391 1 8 . 1 1 12 12 VAL HG11 H 1 0.886 0.020 . 1 . . . A 720 VAL HG11 . 18391 1 9 . 1 1 12 12 VAL HG12 H 1 0.886 0.020 . 1 . . . A 720 VAL HG12 . 18391 1 10 . 1 1 12 12 VAL HG13 H 1 0.886 0.020 . 1 . . . A 720 VAL HG13 . 18391 1 11 . 1 1 12 12 VAL HG21 H 1 0.886 0.020 . 1 . . . A 720 VAL HG21 . 18391 1 12 . 1 1 12 12 VAL HG22 H 1 0.886 0.020 . 1 . . . A 720 VAL HG22 . 18391 1 13 . 1 1 12 12 VAL HG23 H 1 0.886 0.020 . 1 . . . A 720 VAL HG23 . 18391 1 14 . 1 1 13 13 GLU H H 1 8.593 0.020 . 1 . . . A 721 GLU H . 18391 1 15 . 1 1 13 13 GLU HA H 1 4.292 0.020 . 1 . . . A 721 GLU HA . 18391 1 16 . 1 1 13 13 GLU HB2 H 1 1.913 0.020 . 2 . . . A 721 GLU HB2 . 18391 1 17 . 1 1 13 13 GLU HB3 H 1 2.046 0.020 . 2 . . . A 721 GLU HB3 . 18391 1 18 . 1 1 13 13 GLU HG2 H 1 2.260 0.020 . 1 . . . A 721 GLU HG2 . 18391 1 19 . 1 1 13 13 GLU HG3 H 1 2.260 0.020 . 1 . . . A 721 GLU HG3 . 18391 1 20 . 1 1 14 14 SER H H 1 8.368 0.020 . 1 . . . A 722 SER H . 18391 1 21 . 1 1 14 14 SER HA H 1 4.420 0.020 . 1 . . . A 722 SER HA . 18391 1 22 . 1 1 14 14 SER HB2 H 1 3.883 0.020 . 1 . . . A 722 SER HB2 . 18391 1 23 . 1 1 14 14 SER HB3 H 1 3.883 0.020 . 1 . . . A 722 SER HB3 . 18391 1 24 . 1 1 15 15 GLN H H 1 8.493 0.020 . 1 . . . A 723 GLN H . 18391 1 25 . 1 1 15 15 GLN HA H 1 4.333 0.020 . 1 . . . A 723 GLN HA . 18391 1 26 . 1 1 15 15 GLN HB2 H 1 1.947 0.020 . 2 . . . A 723 GLN HB2 . 18391 1 27 . 1 1 15 15 GLN HB3 H 1 2.112 0.020 . 2 . . . A 723 GLN HB3 . 18391 1 28 . 1 1 15 15 GLN HG2 H 1 2.332 0.020 . 1 . . . A 723 GLN HG2 . 18391 1 29 . 1 1 15 15 GLN HG3 H 1 2.332 0.020 . 1 . . . A 723 GLN HG3 . 18391 1 30 . 1 1 15 15 GLN HE21 H 1 7.535 0.020 . 1 . . . A 723 GLN HE21 . 18391 1 31 . 1 1 15 15 GLN HE22 H 1 6.822 0.020 . 1 . . . A 723 GLN HE22 . 18391 1 32 . 1 1 16 16 ASP H H 1 8.320 0.020 . 1 . . . A 724 ASP H . 18391 1 33 . 1 1 16 16 ASP HA H 1 4.550 0.020 . 1 . . . A 724 ASP HA . 18391 1 34 . 1 1 16 16 ASP HB2 H 1 2.651 0.020 . 1 . . . A 724 ASP HB2 . 18391 1 35 . 1 1 16 16 ASP HB3 H 1 2.651 0.020 . 1 . . . A 724 ASP HB3 . 18391 1 36 . 1 1 17 17 GLY H H 1 8.355 0.020 . 1 . . . A 725 GLY H . 18391 1 37 . 1 1 17 17 GLY HA2 H 1 3.897 0.020 . 1 . . . A 725 GLY HA2 . 18391 1 38 . 1 1 17 17 GLY HA3 H 1 3.897 0.020 . 1 . . . A 725 GLY HA3 . 18391 1 39 . 1 1 18 18 VAL H H 1 7.956 0.020 . 1 . . . A 726 VAL H . 18391 1 40 . 1 1 18 18 VAL HA H 1 3.890 0.020 . 1 . . . A 726 VAL HA . 18391 1 41 . 1 1 18 18 VAL HB H 1 2.024 0.020 . 1 . . . A 726 VAL HB . 18391 1 42 . 1 1 18 18 VAL HG11 H 1 0.842 0.020 . 2 . . . A 726 VAL HG11 . 18391 1 43 . 1 1 18 18 VAL HG12 H 1 0.842 0.020 . 2 . . . A 726 VAL HG12 . 18391 1 44 . 1 1 18 18 VAL HG13 H 1 0.842 0.020 . 2 . . . A 726 VAL HG13 . 18391 1 45 . 1 1 18 18 VAL HG21 H 1 0.921 0.020 . 2 . . . A 726 VAL HG21 . 18391 1 46 . 1 1 18 18 VAL HG22 H 1 0.921 0.020 . 2 . . . A 726 VAL HG22 . 18391 1 47 . 1 1 18 18 VAL HG23 H 1 0.921 0.020 . 2 . . . A 726 VAL HG23 . 18391 1 48 . 1 1 19 19 ASP H H 1 8.392 0.020 . 1 . . . A 727 ASP H . 18391 1 49 . 1 1 19 19 ASP HA H 1 4.523 0.020 . 1 . . . A 727 ASP HA . 18391 1 50 . 1 1 19 19 ASP HB2 H 1 2.570 0.020 . 2 . . . A 727 ASP HB2 . 18391 1 51 . 1 1 19 19 ASP HB3 H 1 2.759 0.020 . 2 . . . A 727 ASP HB3 . 18391 1 52 . 1 1 20 20 HIS HA H 1 4.383 0.020 . 1 . . . A 728 HIS HA . 18391 1 53 . 1 1 20 20 HIS HB2 H 1 2.917 0.020 . 1 . . . A 728 HIS HB2 . 18391 1 54 . 1 1 20 20 HIS HB3 H 1 2.917 0.020 . 1 . . . A 728 HIS HB3 . 18391 1 55 . 1 1 20 20 HIS HD2 H 1 6.622 0.020 . 1 . . . A 728 HIS HD2 . 18391 1 56 . 1 1 20 20 HIS HE1 H 1 7.765 0.020 . 1 . . . A 728 HIS HE1 . 18391 1 57 . 1 1 21 21 PHE H H 1 7.840 0.020 . 1 . . . A 729 PHE H . 18391 1 58 . 1 1 21 21 PHE HA H 1 4.598 0.020 . 1 . . . A 729 PHE HA . 18391 1 59 . 1 1 21 21 PHE HB2 H 1 2.916 0.020 . 1 . . . A 729 PHE HB2 . 18391 1 60 . 1 1 21 21 PHE HB3 H 1 2.916 0.020 . 1 . . . A 729 PHE HB3 . 18391 1 61 . 1 1 21 21 PHE HD1 H 1 7.122 0.020 . 1 . . . A 729 PHE HD1 . 18391 1 62 . 1 1 21 21 PHE HD2 H 1 7.122 0.020 . 1 . . . A 729 PHE HD2 . 18391 1 63 . 1 1 21 21 PHE HE1 H 1 7.379 0.020 . 1 . . . A 729 PHE HE1 . 18391 1 64 . 1 1 21 21 PHE HE2 H 1 7.379 0.020 . 1 . . . A 729 PHE HE2 . 18391 1 65 . 1 1 21 21 PHE HZ H 1 7.209 0.020 . 1 . . . A 729 PHE HZ . 18391 1 66 . 1 1 22 22 ARG H H 1 8.280 0.020 . 1 . . . A 730 ARG H . 18391 1 67 . 1 1 22 22 ARG HA H 1 3.839 0.020 . 1 . . . A 730 ARG HA . 18391 1 68 . 1 1 22 22 ARG HB2 H 1 1.905 0.020 . 1 . . . A 730 ARG HB2 . 18391 1 69 . 1 1 22 22 ARG HB3 H 1 1.905 0.020 . 1 . . . A 730 ARG HB3 . 18391 1 70 . 1 1 22 22 ARG HG2 H 1 1.618 0.020 . 1 . . . A 730 ARG HG2 . 18391 1 71 . 1 1 22 22 ARG HG3 H 1 1.618 0.020 . 1 . . . A 730 ARG HG3 . 18391 1 72 . 1 1 22 22 ARG HD2 H 1 3.217 0.020 . 2 . . . A 730 ARG HD2 . 18391 1 73 . 1 1 22 22 ARG HD3 H 1 3.388 0.020 . 2 . . . A 730 ARG HD3 . 18391 1 74 . 1 1 23 23 ALA H H 1 7.993 0.020 . 1 . . . A 731 ALA H . 18391 1 75 . 1 1 23 23 ALA HA H 1 4.059 0.020 . 1 . . . A 731 ALA HA . 18391 1 76 . 1 1 23 23 ALA HB1 H 1 1.474 0.020 . 1 . . . A 731 ALA HB1 . 18391 1 77 . 1 1 23 23 ALA HB2 H 1 1.474 0.020 . 1 . . . A 731 ALA HB2 . 18391 1 78 . 1 1 23 23 ALA HB3 H 1 1.474 0.020 . 1 . . . A 731 ALA HB3 . 18391 1 79 . 1 1 24 24 MET H H 1 8.044 0.020 . 1 . . . A 732 MET H . 18391 1 80 . 1 1 24 24 MET HA H 1 4.079 0.020 . 1 . . . A 732 MET HA . 18391 1 81 . 1 1 24 24 MET HB2 H 1 2.010 0.020 . 2 . . . A 732 MET HB2 . 18391 1 82 . 1 1 24 24 MET HB3 H 1 2.352 0.020 . 2 . . . A 732 MET HB3 . 18391 1 83 . 1 1 24 24 MET HG2 H 1 2.462 0.020 . 2 . . . A 732 MET HG2 . 18391 1 84 . 1 1 24 24 MET HG3 H 1 2.623 0.020 . 2 . . . A 732 MET HG3 . 18391 1 85 . 1 1 24 24 MET HE1 H 1 1.802 0.020 . 1 . . . A 732 MET HE1 . 18391 1 86 . 1 1 24 24 MET HE2 H 1 1.802 0.020 . 1 . . . A 732 MET HE2 . 18391 1 87 . 1 1 24 24 MET HE3 H 1 1.802 0.020 . 1 . . . A 732 MET HE3 . 18391 1 88 . 1 1 25 25 ILE H H 1 8.043 0.020 . 1 . . . A 733 ILE H . 18391 1 89 . 1 1 25 25 ILE HA H 1 3.736 0.020 . 1 . . . A 733 ILE HA . 18391 1 90 . 1 1 25 25 ILE HB H 1 1.998 0.020 . 1 . . . A 733 ILE HB . 18391 1 91 . 1 1 25 25 ILE HG12 H 1 1.146 0.020 . 2 . . . A 733 ILE HG12 . 18391 1 92 . 1 1 25 25 ILE HG13 H 1 1.872 0.020 . 2 . . . A 733 ILE HG13 . 18391 1 93 . 1 1 25 25 ILE HG21 H 1 0.597 0.020 . 1 . . . A 733 ILE HG21 . 18391 1 94 . 1 1 25 25 ILE HG22 H 1 0.597 0.020 . 1 . . . A 733 ILE HG22 . 18391 1 95 . 1 1 25 25 ILE HG23 H 1 0.597 0.020 . 1 . . . A 733 ILE HG23 . 18391 1 96 . 1 1 25 25 ILE HD11 H 1 0.819 0.020 . 1 . . . A 733 ILE HD11 . 18391 1 97 . 1 1 25 25 ILE HD12 H 1 0.819 0.020 . 1 . . . A 733 ILE HD12 . 18391 1 98 . 1 1 25 25 ILE HD13 H 1 0.819 0.020 . 1 . . . A 733 ILE HD13 . 18391 1 99 . 1 1 26 26 VAL H H 1 8.786 0.020 . 1 . . . A 734 VAL H . 18391 1 100 . 1 1 26 26 VAL HA H 1 3.517 0.020 . 1 . . . A 734 VAL HA . 18391 1 101 . 1 1 26 26 VAL HB H 1 2.098 0.020 . 1 . . . A 734 VAL HB . 18391 1 102 . 1 1 26 26 VAL HG11 H 1 0.915 0.020 . 2 . . . A 734 VAL HG11 . 18391 1 103 . 1 1 26 26 VAL HG12 H 1 0.915 0.020 . 2 . . . A 734 VAL HG12 . 18391 1 104 . 1 1 26 26 VAL HG13 H 1 0.915 0.020 . 2 . . . A 734 VAL HG13 . 18391 1 105 . 1 1 26 26 VAL HG21 H 1 0.995 0.020 . 2 . . . A 734 VAL HG21 . 18391 1 106 . 1 1 26 26 VAL HG22 H 1 0.995 0.020 . 2 . . . A 734 VAL HG22 . 18391 1 107 . 1 1 26 26 VAL HG23 H 1 0.995 0.020 . 2 . . . A 734 VAL HG23 . 18391 1 108 . 1 1 27 27 GLU H H 1 8.027 0.020 . 1 . . . A 735 GLU H . 18391 1 109 . 1 1 27 27 GLU HA H 1 4.061 0.020 . 1 . . . A 735 GLU HA . 18391 1 110 . 1 1 27 27 GLU HB2 H 1 2.085 0.020 . 1 . . . A 735 GLU HB2 . 18391 1 111 . 1 1 27 27 GLU HB3 H 1 2.085 0.020 . 1 . . . A 735 GLU HB3 . 18391 1 112 . 1 1 27 27 GLU HG2 H 1 2.210 0.020 . 2 . . . A 735 GLU HG2 . 18391 1 113 . 1 1 27 27 GLU HG3 H 1 2.360 0.020 . 2 . . . A 735 GLU HG3 . 18391 1 114 . 1 1 28 28 PHE H H 1 7.952 0.020 . 1 . . . A 736 PHE H . 18391 1 115 . 1 1 28 28 PHE HA H 1 4.473 0.020 . 1 . . . A 736 PHE HA . 18391 1 116 . 1 1 28 28 PHE HB2 H 1 3.359 0.020 . 1 . . . A 736 PHE HB2 . 18391 1 117 . 1 1 28 28 PHE HB3 H 1 3.359 0.020 . 1 . . . A 736 PHE HB3 . 18391 1 118 . 1 1 28 28 PHE HD1 H 1 7.007 0.020 . 1 . . . A 736 PHE HD1 . 18391 1 119 . 1 1 28 28 PHE HD2 H 1 7.007 0.020 . 1 . . . A 736 PHE HD2 . 18391 1 120 . 1 1 28 28 PHE HE1 H 1 6.821 0.020 . 1 . . . A 736 PHE HE1 . 18391 1 121 . 1 1 28 28 PHE HE2 H 1 6.821 0.020 . 1 . . . A 736 PHE HE2 . 18391 1 122 . 1 1 28 28 PHE HZ H 1 6.932 0.020 . 1 . . . A 736 PHE HZ . 18391 1 123 . 1 1 29 29 MET H H 1 8.768 0.020 . 1 . . . A 737 MET H . 18391 1 124 . 1 1 29 29 MET HA H 1 3.483 0.020 . 1 . . . A 737 MET HA . 18391 1 125 . 1 1 29 29 MET HB2 H 1 2.119 0.020 . 2 . . . A 737 MET HB2 . 18391 1 126 . 1 1 29 29 MET HB3 H 1 2.184 0.020 . 2 . . . A 737 MET HB3 . 18391 1 127 . 1 1 29 29 MET HG2 H 1 2.385 0.020 . 2 . . . A 737 MET HG2 . 18391 1 128 . 1 1 29 29 MET HG3 H 1 2.733 0.020 . 2 . . . A 737 MET HG3 . 18391 1 129 . 1 1 29 29 MET HE1 H 1 2.033 0.020 . 1 . . . A 737 MET HE1 . 18391 1 130 . 1 1 29 29 MET HE2 H 1 2.033 0.020 . 1 . . . A 737 MET HE2 . 18391 1 131 . 1 1 29 29 MET HE3 H 1 2.033 0.020 . 1 . . . A 737 MET HE3 . 18391 1 132 . 1 1 30 30 ALA H H 1 7.098 0.020 . 1 . . . A 738 ALA H . 18391 1 133 . 1 1 30 30 ALA HA H 1 4.284 0.020 . 1 . . . A 738 ALA HA . 18391 1 134 . 1 1 30 30 ALA HB1 H 1 1.447 0.020 . 1 . . . A 738 ALA HB1 . 18391 1 135 . 1 1 30 30 ALA HB2 H 1 1.447 0.020 . 1 . . . A 738 ALA HB2 . 18391 1 136 . 1 1 30 30 ALA HB3 H 1 1.447 0.020 . 1 . . . A 738 ALA HB3 . 18391 1 137 . 1 1 31 31 SER H H 1 7.439 0.020 . 1 . . . A 739 SER H . 18391 1 138 . 1 1 31 31 SER HA H 1 4.575 0.020 . 1 . . . A 739 SER HA . 18391 1 139 . 1 1 31 31 SER HB2 H 1 4.161 0.020 . 2 . . . A 739 SER HB2 . 18391 1 140 . 1 1 31 31 SER HB3 H 1 4.198 0.020 . 2 . . . A 739 SER HB3 . 18391 1 141 . 1 1 32 32 LYS H H 1 8.507 0.020 . 1 . . . A 740 LYS H . 18391 1 142 . 1 1 32 32 LYS HA H 1 4.305 0.020 . 1 . . . A 740 LYS HA . 18391 1 143 . 1 1 32 32 LYS HB2 H 1 1.670 0.020 . 1 . . . A 740 LYS HB2 . 18391 1 144 . 1 1 33 33 LYS H H 1 8.004 0.020 . 1 . . . A 741 LYS H . 18391 1 145 . 1 1 33 33 LYS HA H 1 4.216 0.020 . 1 . . . A 741 LYS HA . 18391 1 146 . 1 1 33 33 LYS HB2 H 1 1.917 0.020 . 2 . . . A 741 LYS HB2 . 18391 1 147 . 1 1 33 33 LYS HB3 H 1 2.071 0.020 . 2 . . . A 741 LYS HB3 . 18391 1 148 . 1 1 33 33 LYS HG2 H 1 1.603 0.020 . 2 . . . A 741 LYS HG2 . 18391 1 149 . 1 1 33 33 LYS HG3 H 1 1.646 0.020 . 2 . . . A 741 LYS HG3 . 18391 1 150 . 1 1 33 33 LYS HD2 H 1 1.841 0.020 . 1 . . . A 741 LYS HD2 . 18391 1 151 . 1 1 33 33 LYS HD3 H 1 1.841 0.020 . 1 . . . A 741 LYS HD3 . 18391 1 152 . 1 1 33 33 LYS HE2 H 1 3.096 0.020 . 1 . . . A 741 LYS HE2 . 18391 1 153 . 1 1 33 33 LYS HE3 H 1 3.096 0.020 . 1 . . . A 741 LYS HE3 . 18391 1 154 . 1 1 34 34 MET H H 1 8.722 0.020 . 1 . . . A 742 MET H . 18391 1 155 . 1 1 34 34 MET HA H 1 4.796 0.020 . 1 . . . A 742 MET HA . 18391 1 156 . 1 1 34 34 MET HB2 H 1 2.052 0.020 . 2 . . . A 742 MET HB2 . 18391 1 157 . 1 1 34 34 MET HB3 H 1 2.215 0.020 . 2 . . . A 742 MET HB3 . 18391 1 158 . 1 1 34 34 MET HG2 H 1 2.493 0.020 . 2 . . . A 742 MET HG2 . 18391 1 159 . 1 1 34 34 MET HG3 H 1 2.764 0.020 . 2 . . . A 742 MET HG3 . 18391 1 160 . 1 1 34 34 MET HE1 H 1 1.966 0.020 . 1 . . . A 742 MET HE1 . 18391 1 161 . 1 1 34 34 MET HE2 H 1 1.966 0.020 . 1 . . . A 742 MET HE2 . 18391 1 162 . 1 1 34 34 MET HE3 H 1 1.966 0.020 . 1 . . . A 742 MET HE3 . 18391 1 163 . 1 1 35 35 GLN H H 1 7.843 0.020 . 1 . . . A 743 GLN H . 18391 1 164 . 1 1 35 35 GLN HA H 1 5.196 0.020 . 1 . . . A 743 GLN HA . 18391 1 165 . 1 1 35 35 GLN HB2 H 1 1.900 0.020 . 2 . . . A 743 GLN HB2 . 18391 1 166 . 1 1 35 35 GLN HB3 H 1 1.960 0.020 . 2 . . . A 743 GLN HB3 . 18391 1 167 . 1 1 35 35 GLN HG2 H 1 2.182 0.020 . 2 . . . A 743 GLN HG2 . 18391 1 168 . 1 1 35 35 GLN HG3 H 1 2.295 0.020 . 2 . . . A 743 GLN HG3 . 18391 1 169 . 1 1 35 35 GLN HE21 H 1 7.625 0.020 . 1 . . . A 743 GLN HE21 . 18391 1 170 . 1 1 35 35 GLN HE22 H 1 6.865 0.020 . 1 . . . A 743 GLN HE22 . 18391 1 171 . 1 1 36 36 LEU H H 1 8.894 0.020 . 1 . . . A 744 LEU H . 18391 1 172 . 1 1 36 36 LEU HA H 1 4.205 0.020 . 1 . . . A 744 LEU HA . 18391 1 173 . 1 1 36 36 LEU HB2 H 1 -0.040 0.020 . 2 . . . A 744 LEU HB2 . 18391 1 174 . 1 1 36 36 LEU HB3 H 1 0.705 0.020 . 2 . . . A 744 LEU HB3 . 18391 1 175 . 1 1 36 36 LEU HG H 1 0.640 0.020 . 1 . . . A 744 LEU HG . 18391 1 176 . 1 1 36 36 LEU HD11 H 1 0.196 0.020 . 2 . . . A 744 LEU HD11 . 18391 1 177 . 1 1 36 36 LEU HD12 H 1 0.196 0.020 . 2 . . . A 744 LEU HD12 . 18391 1 178 . 1 1 36 36 LEU HD13 H 1 0.196 0.020 . 2 . . . A 744 LEU HD13 . 18391 1 179 . 1 1 36 36 LEU HD21 H 1 0.437 0.020 . 2 . . . A 744 LEU HD21 . 18391 1 180 . 1 1 36 36 LEU HD22 H 1 0.437 0.020 . 2 . . . A 744 LEU HD22 . 18391 1 181 . 1 1 36 36 LEU HD23 H 1 0.437 0.020 . 2 . . . A 744 LEU HD23 . 18391 1 182 . 1 1 37 37 GLU H H 1 8.589 0.020 . 1 . . . A 745 GLU H . 18391 1 183 . 1 1 37 37 GLU HA H 1 4.747 0.020 . 1 . . . A 745 GLU HA . 18391 1 184 . 1 1 37 37 GLU HB2 H 1 1.796 0.020 . 2 . . . A 745 GLU HB2 . 18391 1 185 . 1 1 37 37 GLU HB3 H 1 1.901 0.020 . 2 . . . A 745 GLU HB3 . 18391 1 186 . 1 1 37 37 GLU HG2 H 1 2.238 0.020 . 2 . . . A 745 GLU HG2 . 18391 1 187 . 1 1 37 37 GLU HG3 H 1 2.319 0.020 . 2 . . . A 745 GLU HG3 . 18391 1 188 . 1 1 38 38 PHE H H 1 8.893 0.020 . 1 . . . A 746 PHE H . 18391 1 189 . 1 1 38 38 PHE HA H 1 4.439 0.020 . 1 . . . A 746 PHE HA . 18391 1 190 . 1 1 38 38 PHE HB2 H 1 2.886 0.020 . 2 . . . A 746 PHE HB2 . 18391 1 191 . 1 1 38 38 PHE HB3 H 1 3.388 0.020 . 2 . . . A 746 PHE HB3 . 18391 1 192 . 1 1 38 38 PHE HD1 H 1 7.142 0.020 . 1 . . . A 746 PHE HD1 . 18391 1 193 . 1 1 38 38 PHE HD2 H 1 7.142 0.020 . 1 . . . A 746 PHE HD2 . 18391 1 194 . 1 1 38 38 PHE HE1 H 1 7.078 0.020 . 1 . . . A 746 PHE HE1 . 18391 1 195 . 1 1 38 38 PHE HE2 H 1 7.078 0.020 . 1 . . . A 746 PHE HE2 . 18391 1 196 . 1 1 38 38 PHE HZ H 1 6.865 0.020 . 1 . . . A 746 PHE HZ . 18391 1 197 . 1 1 39 39 PRO HA H 1 4.728 0.020 . 1 . . . A 747 PRO HA . 18391 1 198 . 1 1 39 39 PRO HB2 H 1 2.118 0.020 . 2 . . . A 747 PRO HB2 . 18391 1 199 . 1 1 39 39 PRO HB3 H 1 2.412 0.020 . 2 . . . A 747 PRO HB3 . 18391 1 200 . 1 1 39 39 PRO HG2 H 1 1.959 0.020 . 2 . . . A 747 PRO HG2 . 18391 1 201 . 1 1 39 39 PRO HG3 H 1 2.118 0.020 . 2 . . . A 747 PRO HG3 . 18391 1 202 . 1 1 39 39 PRO HD2 H 1 3.754 0.020 . 2 . . . A 747 PRO HD2 . 18391 1 203 . 1 1 39 39 PRO HD3 H 1 3.791 0.020 . 2 . . . A 747 PRO HD3 . 18391 1 204 . 1 1 40 40 PRO HA H 1 4.809 0.020 . 1 . . . A 748 PRO HA . 18391 1 205 . 1 1 40 40 PRO HB2 H 1 1.966 0.020 . 2 . . . A 748 PRO HB2 . 18391 1 206 . 1 1 40 40 PRO HB3 H 1 2.374 0.020 . 2 . . . A 748 PRO HB3 . 18391 1 207 . 1 1 40 40 PRO HG2 H 1 1.960 0.020 . 2 . . . A 748 PRO HG2 . 18391 1 208 . 1 1 40 40 PRO HG3 H 1 2.115 0.020 . 2 . . . A 748 PRO HG3 . 18391 1 209 . 1 1 40 40 PRO HD2 H 1 3.581 0.020 . 2 . . . A 748 PRO HD2 . 18391 1 210 . 1 1 40 40 PRO HD3 H 1 3.765 0.020 . 2 . . . A 748 PRO HD3 . 18391 1 211 . 1 1 41 41 SER H H 1 6.979 0.020 . 1 . . . A 749 SER H . 18391 1 212 . 1 1 41 41 SER HA H 1 4.185 0.020 . 1 . . . A 749 SER HA . 18391 1 213 . 1 1 41 41 SER HB2 H 1 3.830 0.020 . 2 . . . A 749 SER HB2 . 18391 1 214 . 1 1 41 41 SER HB3 H 1 4.062 0.020 . 2 . . . A 749 SER HB3 . 18391 1 215 . 1 1 42 42 LEU H H 1 7.040 0.020 . 1 . . . A 750 LEU H . 18391 1 216 . 1 1 42 42 LEU HA H 1 4.421 0.020 . 1 . . . A 750 LEU HA . 18391 1 217 . 1 1 42 42 LEU HB2 H 1 1.727 0.020 . 2 . . . A 750 LEU HB2 . 18391 1 218 . 1 1 42 42 LEU HB3 H 1 1.819 0.020 . 2 . . . A 750 LEU HB3 . 18391 1 219 . 1 1 42 42 LEU HG H 1 1.836 0.020 . 1 . . . A 750 LEU HG . 18391 1 220 . 1 1 42 42 LEU HD11 H 1 0.286 0.020 . 2 . . . A 750 LEU HD11 . 18391 1 221 . 1 1 42 42 LEU HD12 H 1 0.286 0.020 . 2 . . . A 750 LEU HD12 . 18391 1 222 . 1 1 42 42 LEU HD13 H 1 0.286 0.020 . 2 . . . A 750 LEU HD13 . 18391 1 223 . 1 1 42 42 LEU HD21 H 1 1.190 0.020 . 2 . . . A 750 LEU HD21 . 18391 1 224 . 1 1 42 42 LEU HD22 H 1 1.190 0.020 . 2 . . . A 750 LEU HD22 . 18391 1 225 . 1 1 42 42 LEU HD23 H 1 1.190 0.020 . 2 . . . A 750 LEU HD23 . 18391 1 226 . 1 1 43 43 ASN H H 1 9.277 0.020 . 1 . . . A 751 ASN H . 18391 1 227 . 1 1 43 43 ASN HA H 1 4.919 0.020 . 1 . . . A 751 ASN HA . 18391 1 228 . 1 1 43 43 ASN HB2 H 1 2.966 0.020 . 2 . . . A 751 ASN HB2 . 18391 1 229 . 1 1 43 43 ASN HB3 H 1 3.333 0.020 . 2 . . . A 751 ASN HB3 . 18391 1 230 . 1 1 43 43 ASN HD21 H 1 7.601 0.020 . 1 . . . A 751 ASN HD21 . 18391 1 231 . 1 1 43 43 ASN HD22 H 1 7.053 0.020 . 1 . . . A 751 ASN HD22 . 18391 1 232 . 1 1 44 44 SER H H 1 8.231 0.020 . 1 . . . A 752 SER H . 18391 1 233 . 1 1 44 44 SER HA H 1 3.754 0.020 . 1 . . . A 752 SER HA . 18391 1 234 . 1 1 44 44 SER HB2 H 1 3.853 0.020 . 2 . . . A 752 SER HB2 . 18391 1 235 . 1 1 44 44 SER HB3 H 1 3.890 0.020 . 2 . . . A 752 SER HB3 . 18391 1 236 . 1 1 45 45 HIS H H 1 7.815 0.020 . 1 . . . A 753 HIS H . 18391 1 237 . 1 1 45 45 HIS HA H 1 4.322 0.020 . 1 . . . A 753 HIS HA . 18391 1 238 . 1 1 45 45 HIS HB2 H 1 3.187 0.020 . 1 . . . A 753 HIS HB2 . 18391 1 239 . 1 1 45 45 HIS HB3 H 1 3.187 0.020 . 1 . . . A 753 HIS HB3 . 18391 1 240 . 1 1 45 45 HIS HD2 H 1 7.075 0.020 . 1 . . . A 753 HIS HD2 . 18391 1 241 . 1 1 45 45 HIS HE1 H 1 7.847 0.020 . 1 . . . A 753 HIS HE1 . 18391 1 242 . 1 1 46 46 ASP H H 1 8.315 0.020 . 1 . . . A 754 ASP H . 18391 1 243 . 1 1 46 46 ASP HA H 1 4.296 0.020 . 1 . . . A 754 ASP HA . 18391 1 244 . 1 1 46 46 ASP HB2 H 1 2.480 0.020 . 2 . . . A 754 ASP HB2 . 18391 1 245 . 1 1 46 46 ASP HB3 H 1 2.987 0.020 . 2 . . . A 754 ASP HB3 . 18391 1 246 . 1 1 47 47 ARG H H 1 8.232 0.020 . 1 . . . A 755 ARG H . 18391 1 247 . 1 1 47 47 ARG HA H 1 3.246 0.020 . 1 . . . A 755 ARG HA . 18391 1 248 . 1 1 47 47 ARG HB2 H 1 1.730 0.020 . 2 . . . A 755 ARG HB2 . 18391 1 249 . 1 1 47 47 ARG HB3 H 1 1.967 0.020 . 2 . . . A 755 ARG HB3 . 18391 1 250 . 1 1 47 47 ARG HG2 H 1 0.665 0.020 . 2 . . . A 755 ARG HG2 . 18391 1 251 . 1 1 47 47 ARG HG3 H 1 1.284 0.020 . 2 . . . A 755 ARG HG3 . 18391 1 252 . 1 1 47 47 ARG HD2 H 1 2.975 0.020 . 1 . . . A 755 ARG HD2 . 18391 1 253 . 1 1 47 47 ARG HD3 H 1 2.975 0.020 . 1 . . . A 755 ARG HD3 . 18391 1 254 . 1 1 47 47 ARG HE H 1 8.356 0.020 . 1 . . . A 755 ARG HE . 18391 1 255 . 1 1 48 48 LEU H H 1 8.074 0.020 . 1 . . . A 756 LEU H . 18391 1 256 . 1 1 48 48 LEU HA H 1 4.036 0.020 . 1 . . . A 756 LEU HA . 18391 1 257 . 1 1 48 48 LEU HB2 H 1 1.710 0.020 . 2 . . . A 756 LEU HB2 . 18391 1 258 . 1 1 48 48 LEU HB3 H 1 2.206 0.020 . 2 . . . A 756 LEU HB3 . 18391 1 259 . 1 1 48 48 LEU HG H 1 1.502 0.020 . 1 . . . A 756 LEU HG . 18391 1 260 . 1 1 48 48 LEU HD11 H 1 0.889 0.020 . 2 . . . A 756 LEU HD11 . 18391 1 261 . 1 1 48 48 LEU HD12 H 1 0.889 0.020 . 2 . . . A 756 LEU HD12 . 18391 1 262 . 1 1 48 48 LEU HD13 H 1 0.889 0.020 . 2 . . . A 756 LEU HD13 . 18391 1 263 . 1 1 48 48 LEU HD21 H 1 1.165 0.020 . 2 . . . A 756 LEU HD21 . 18391 1 264 . 1 1 48 48 LEU HD22 H 1 1.165 0.020 . 2 . . . A 756 LEU HD22 . 18391 1 265 . 1 1 48 48 LEU HD23 H 1 1.165 0.020 . 2 . . . A 756 LEU HD23 . 18391 1 266 . 1 1 49 49 ARG H H 1 7.394 0.020 . 1 . . . A 757 ARG H . 18391 1 267 . 1 1 49 49 ARG HA H 1 3.993 0.020 . 1 . . . A 757 ARG HA . 18391 1 268 . 1 1 49 49 ARG HB2 H 1 1.855 0.020 . 2 . . . A 757 ARG HB2 . 18391 1 269 . 1 1 49 49 ARG HB3 H 1 2.101 0.020 . 2 . . . A 757 ARG HB3 . 18391 1 270 . 1 1 49 49 ARG HG2 H 1 1.734 0.020 . 2 . . . A 757 ARG HG2 . 18391 1 271 . 1 1 49 49 ARG HG3 H 1 1.820 0.020 . 2 . . . A 757 ARG HG3 . 18391 1 272 . 1 1 49 49 ARG HD2 H 1 3.266 0.020 . 1 . . . A 757 ARG HD2 . 18391 1 273 . 1 1 49 49 ARG HD3 H 1 3.266 0.020 . 1 . . . A 757 ARG HD3 . 18391 1 274 . 1 1 50 50 VAL H H 1 7.573 0.020 . 1 . . . A 758 VAL H . 18391 1 275 . 1 1 50 50 VAL HA H 1 2.987 0.020 . 1 . . . A 758 VAL HA . 18391 1 276 . 1 1 50 50 VAL HB H 1 1.391 0.020 . 1 . . . A 758 VAL HB . 18391 1 277 . 1 1 50 50 VAL HG11 H 1 -0.361 0.020 . 2 . . . A 758 VAL HG11 . 18391 1 278 . 1 1 50 50 VAL HG12 H 1 -0.361 0.020 . 2 . . . A 758 VAL HG12 . 18391 1 279 . 1 1 50 50 VAL HG13 H 1 -0.361 0.020 . 2 . . . A 758 VAL HG13 . 18391 1 280 . 1 1 50 50 VAL HG21 H 1 0.000 0.020 . 2 . . . A 758 VAL HG21 . 18391 1 281 . 1 1 50 50 VAL HG22 H 1 0.000 0.020 . 2 . . . A 758 VAL HG22 . 18391 1 282 . 1 1 50 50 VAL HG23 H 1 0.000 0.020 . 2 . . . A 758 VAL HG23 . 18391 1 283 . 1 1 51 51 HIS H H 1 8.868 0.020 . 1 . . . A 759 HIS H . 18391 1 284 . 1 1 51 51 HIS HA H 1 3.360 0.020 . 1 . . . A 759 HIS HA . 18391 1 285 . 1 1 51 51 HIS HB2 H 1 2.138 0.020 . 2 . . . A 759 HIS HB2 . 18391 1 286 . 1 1 51 51 HIS HB3 H 1 3.108 0.020 . 2 . . . A 759 HIS HB3 . 18391 1 287 . 1 1 51 51 HIS HD2 H 1 6.109 0.020 . 1 . . . A 759 HIS HD2 . 18391 1 288 . 1 1 51 51 HIS HE1 H 1 7.657 0.020 . 1 . . . A 759 HIS HE1 . 18391 1 289 . 1 1 52 52 GLN H H 1 8.007 0.020 . 1 . . . A 760 GLN H . 18391 1 290 . 1 1 52 52 GLN HA H 1 3.926 0.020 . 1 . . . A 760 GLN HA . 18391 1 291 . 1 1 52 52 GLN HB2 H 1 1.954 0.020 . 2 . . . A 760 GLN HB2 . 18391 1 292 . 1 1 52 52 GLN HB3 H 1 2.394 0.020 . 2 . . . A 760 GLN HB3 . 18391 1 293 . 1 1 52 52 GLN HG2 H 1 2.298 0.020 . 2 . . . A 760 GLN HG2 . 18391 1 294 . 1 1 52 52 GLN HG3 H 1 2.726 0.020 . 2 . . . A 760 GLN HG3 . 18391 1 295 . 1 1 52 52 GLN HE21 H 1 7.549 0.020 . 1 . . . A 760 GLN HE21 . 18391 1 296 . 1 1 52 52 GLN HE22 H 1 6.736 0.020 . 1 . . . A 760 GLN HE22 . 18391 1 297 . 1 1 53 53 ILE H H 1 8.470 0.020 . 1 . . . A 761 ILE H . 18391 1 298 . 1 1 53 53 ILE HA H 1 3.823 0.020 . 1 . . . A 761 ILE HA . 18391 1 299 . 1 1 53 53 ILE HB H 1 1.561 0.020 . 1 . . . A 761 ILE HB . 18391 1 300 . 1 1 53 53 ILE HG12 H 1 1.615 0.020 . 2 . . . A 761 ILE HG12 . 18391 1 301 . 1 1 53 53 ILE HG13 H 1 1.971 0.020 . 2 . . . A 761 ILE HG13 . 18391 1 302 . 1 1 53 53 ILE HG21 H 1 0.985 0.020 . 1 . . . A 761 ILE HG21 . 18391 1 303 . 1 1 53 53 ILE HG22 H 1 0.985 0.020 . 1 . . . A 761 ILE HG22 . 18391 1 304 . 1 1 53 53 ILE HG23 H 1 0.985 0.020 . 1 . . . A 761 ILE HG23 . 18391 1 305 . 1 1 53 53 ILE HD11 H 1 0.770 0.020 . 1 . . . A 761 ILE HD11 . 18391 1 306 . 1 1 53 53 ILE HD12 H 1 0.770 0.020 . 1 . . . A 761 ILE HD12 . 18391 1 307 . 1 1 53 53 ILE HD13 H 1 0.770 0.020 . 1 . . . A 761 ILE HD13 . 18391 1 308 . 1 1 54 54 ALA H H 1 8.927 0.020 . 1 . . . A 762 ALA H . 18391 1 309 . 1 1 54 54 ALA HA H 1 3.939 0.020 . 1 . . . A 762 ALA HA . 18391 1 310 . 1 1 54 54 ALA HB1 H 1 1.230 0.020 . 1 . . . A 762 ALA HB1 . 18391 1 311 . 1 1 54 54 ALA HB2 H 1 1.230 0.020 . 1 . . . A 762 ALA HB2 . 18391 1 312 . 1 1 54 54 ALA HB3 H 1 1.230 0.020 . 1 . . . A 762 ALA HB3 . 18391 1 313 . 1 1 55 55 GLU H H 1 8.043 0.020 . 1 . . . A 763 GLU H . 18391 1 314 . 1 1 55 55 GLU HA H 1 4.177 0.020 . 1 . . . A 763 GLU HA . 18391 1 315 . 1 1 55 55 GLU HB2 H 1 2.008 0.020 . 2 . . . A 763 GLU HB2 . 18391 1 316 . 1 1 55 55 GLU HB3 H 1 2.338 0.020 . 2 . . . A 763 GLU HB3 . 18391 1 317 . 1 1 55 55 GLU HG2 H 1 2.296 0.020 . 2 . . . A 763 GLU HG2 . 18391 1 318 . 1 1 55 55 GLU HG3 H 1 2.518 0.020 . 2 . . . A 763 GLU HG3 . 18391 1 319 . 1 1 56 56 GLU H H 1 7.868 0.020 . 1 . . . A 764 GLU H . 18391 1 320 . 1 1 56 56 GLU HA H 1 3.977 0.020 . 1 . . . A 764 GLU HA . 18391 1 321 . 1 1 56 56 GLU HB2 H 1 2.189 0.020 . 2 . . . A 764 GLU HB2 . 18391 1 322 . 1 1 56 56 GLU HB3 H 1 2.053 0.020 . 2 . . . A 764 GLU HB3 . 18391 1 323 . 1 1 56 56 GLU HG2 H 1 1.878 0.020 . 2 . . . A 764 GLU HG2 . 18391 1 324 . 1 1 56 56 GLU HG3 H 1 2.333 0.020 . 2 . . . A 764 GLU HG3 . 18391 1 325 . 1 1 57 57 HIS H H 1 7.443 0.020 . 1 . . . A 765 HIS H . 18391 1 326 . 1 1 57 57 HIS HA H 1 4.543 0.020 . 1 . . . A 765 HIS HA . 18391 1 327 . 1 1 57 57 HIS HB2 H 1 2.696 0.020 . 2 . . . A 765 HIS HB2 . 18391 1 328 . 1 1 57 57 HIS HB3 H 1 3.649 0.020 . 2 . . . A 765 HIS HB3 . 18391 1 329 . 1 1 57 57 HIS HD2 H 1 7.017 0.020 . 1 . . . A 765 HIS HD2 . 18391 1 330 . 1 1 57 57 HIS HE1 H 1 7.550 0.020 . 1 . . . A 765 HIS HE1 . 18391 1 331 . 1 1 58 58 GLY H H 1 7.965 0.020 . 1 . . . A 766 GLY H . 18391 1 332 . 1 1 58 58 GLY HA2 H 1 4.050 0.020 . 1 . . . A 766 GLY HA2 . 18391 1 333 . 1 1 58 58 GLY HA3 H 1 4.050 0.020 . 1 . . . A 766 GLY HA3 . 18391 1 334 . 1 1 59 59 LEU H H 1 8.119 0.020 . 1 . . . A 767 LEU H . 18391 1 335 . 1 1 59 59 LEU HA H 1 4.652 0.020 . 1 . . . A 767 LEU HA . 18391 1 336 . 1 1 59 59 LEU HB2 H 1 1.634 0.020 . 2 . . . A 767 LEU HB2 . 18391 1 337 . 1 1 59 59 LEU HB3 H 1 1.809 0.020 . 2 . . . A 767 LEU HB3 . 18391 1 338 . 1 1 59 59 LEU HG H 1 1.735 0.020 . 1 . . . A 767 LEU HG . 18391 1 339 . 1 1 59 59 LEU HD11 H 1 0.974 0.020 . 1 . . . A 767 LEU HD11 . 18391 1 340 . 1 1 59 59 LEU HD12 H 1 0.974 0.020 . 1 . . . A 767 LEU HD12 . 18391 1 341 . 1 1 59 59 LEU HD13 H 1 0.974 0.020 . 1 . . . A 767 LEU HD13 . 18391 1 342 . 1 1 59 59 LEU HD21 H 1 0.974 0.020 . 1 . . . A 767 LEU HD21 . 18391 1 343 . 1 1 59 59 LEU HD22 H 1 0.974 0.020 . 1 . . . A 767 LEU HD22 . 18391 1 344 . 1 1 59 59 LEU HD23 H 1 0.974 0.020 . 1 . . . A 767 LEU HD23 . 18391 1 345 . 1 1 60 60 ARG H H 1 8.760 0.020 . 1 . . . A 768 ARG H . 18391 1 346 . 1 1 60 60 ARG HA H 1 4.454 0.020 . 1 . . . A 768 ARG HA . 18391 1 347 . 1 1 60 60 ARG HB2 H 1 1.755 0.020 . 2 . . . A 768 ARG HB2 . 18391 1 348 . 1 1 60 60 ARG HB3 H 1 1.932 0.020 . 2 . . . A 768 ARG HB3 . 18391 1 349 . 1 1 60 60 ARG HG2 H 1 1.604 0.020 . 2 . . . A 768 ARG HG2 . 18391 1 350 . 1 1 60 60 ARG HG3 H 1 1.737 0.020 . 2 . . . A 768 ARG HG3 . 18391 1 351 . 1 1 60 60 ARG HD2 H 1 3.041 0.020 . 2 . . . A 768 ARG HD2 . 18391 1 352 . 1 1 60 60 ARG HD3 H 1 3.176 0.020 . 2 . . . A 768 ARG HD3 . 18391 1 353 . 1 1 61 61 HIS H H 1 8.400 0.020 . 1 . . . A 769 HIS H . 18391 1 354 . 1 1 61 61 HIS HA H 1 5.175 0.020 . 1 . . . A 769 HIS HA . 18391 1 355 . 1 1 61 61 HIS HB2 H 1 2.506 0.020 . 2 . . . A 769 HIS HB2 . 18391 1 356 . 1 1 61 61 HIS HB3 H 1 2.781 0.020 . 2 . . . A 769 HIS HB3 . 18391 1 357 . 1 1 61 61 HIS HD2 H 1 7.622 0.020 . 1 . . . A 769 HIS HD2 . 18391 1 358 . 1 1 61 61 HIS HE1 H 1 8.690 0.020 . 1 . . . A 769 HIS HE1 . 18391 1 359 . 1 1 62 62 ASP H H 1 8.193 0.020 . 1 . . . A 770 ASP H . 18391 1 360 . 1 1 62 62 ASP HA H 1 4.993 0.020 . 1 . . . A 770 ASP HA . 18391 1 361 . 1 1 62 62 ASP HB2 H 1 2.364 0.020 . 2 . . . A 770 ASP HB2 . 18391 1 362 . 1 1 62 62 ASP HB3 H 1 2.525 0.020 . 2 . . . A 770 ASP HB3 . 18391 1 363 . 1 1 63 63 SER H H 1 9.533 0.020 . 1 . . . A 771 SER H . 18391 1 364 . 1 1 63 63 SER HA H 1 5.293 0.020 . 1 . . . A 771 SER HA . 18391 1 365 . 1 1 63 63 SER HB2 H 1 3.283 0.020 . 2 . . . A 771 SER HB2 . 18391 1 366 . 1 1 63 63 SER HB3 H 1 3.836 0.020 . 2 . . . A 771 SER HB3 . 18391 1 367 . 1 1 64 64 SER H H 1 8.284 0.020 . 1 . . . A 772 SER H . 18391 1 368 . 1 1 64 64 SER HA H 1 4.527 0.020 . 1 . . . A 772 SER HA . 18391 1 369 . 1 1 64 64 SER HB2 H 1 3.318 0.020 . 2 . . . A 772 SER HB2 . 18391 1 370 . 1 1 64 64 SER HB3 H 1 3.417 0.020 . 2 . . . A 772 SER HB3 . 18391 1 371 . 1 1 65 65 GLY H H 1 8.304 0.020 . 1 . . . A 773 GLY H . 18391 1 372 . 1 1 65 65 GLY HA2 H 1 3.722 0.020 . 2 . . . A 773 GLY HA2 . 18391 1 373 . 1 1 65 65 GLY HA3 H 1 4.403 0.020 . 2 . . . A 773 GLY HA3 . 18391 1 374 . 1 1 66 66 GLU H H 1 8.163 0.020 . 1 . . . A 774 GLU H . 18391 1 375 . 1 1 66 66 GLU HA H 1 4.800 0.020 . 1 . . . A 774 GLU HA . 18391 1 376 . 1 1 66 66 GLU HB2 H 1 1.837 0.020 . 2 . . . A 774 GLU HB2 . 18391 1 377 . 1 1 66 66 GLU HB3 H 1 1.993 0.020 . 2 . . . A 774 GLU HB3 . 18391 1 378 . 1 1 66 66 GLU HG2 H 1 2.188 0.020 . 1 . . . A 774 GLU HG2 . 18391 1 379 . 1 1 66 66 GLU HG3 H 1 2.188 0.020 . 1 . . . A 774 GLU HG3 . 18391 1 380 . 1 1 67 67 GLY H H 1 9.053 0.020 . 1 . . . A 775 GLY H . 18391 1 381 . 1 1 67 67 GLY HA2 H 1 3.769 0.020 . 2 . . . A 775 GLY HA2 . 18391 1 382 . 1 1 67 67 GLY HA3 H 1 3.945 0.020 . 2 . . . A 775 GLY HA3 . 18391 1 383 . 1 1 68 68 LYS H H 1 7.984 0.020 . 1 . . . A 776 LYS H . 18391 1 384 . 1 1 68 68 LYS HA H 1 4.446 0.020 . 1 . . . A 776 LYS HA . 18391 1 385 . 1 1 68 68 LYS HB2 H 1 1.821 0.020 . 2 . . . A 776 LYS HB2 . 18391 1 386 . 1 1 68 68 LYS HB3 H 1 1.998 0.020 . 2 . . . A 776 LYS HB3 . 18391 1 387 . 1 1 68 68 LYS HG2 H 1 1.517 0.020 . 1 . . . A 776 LYS HG2 . 18391 1 388 . 1 1 68 68 LYS HG3 H 1 1.517 0.020 . 1 . . . A 776 LYS HG3 . 18391 1 389 . 1 1 68 68 LYS HD2 H 1 1.715 0.020 . 1 . . . A 776 LYS HD2 . 18391 1 390 . 1 1 68 68 LYS HD3 H 1 1.715 0.020 . 1 . . . A 776 LYS HD3 . 18391 1 391 . 1 1 68 68 LYS HE2 H 1 3.006 0.020 . 1 . . . A 776 LYS HE2 . 18391 1 392 . 1 1 68 68 LYS HE3 H 1 3.006 0.020 . 1 . . . A 776 LYS HE3 . 18391 1 393 . 1 1 69 69 ARG H H 1 7.913 0.020 . 1 . . . A 777 ARG H . 18391 1 394 . 1 1 69 69 ARG HA H 1 4.389 0.020 . 1 . . . A 777 ARG HA . 18391 1 395 . 1 1 69 69 ARG HB2 H 1 1.992 0.020 . 2 . . . A 777 ARG HB2 . 18391 1 396 . 1 1 69 69 ARG HB3 H 1 2.153 0.020 . 2 . . . A 777 ARG HB3 . 18391 1 397 . 1 1 69 69 ARG HG2 H 1 1.620 0.020 . 2 . . . A 777 ARG HG2 . 18391 1 398 . 1 1 69 69 ARG HG3 H 1 1.714 0.020 . 2 . . . A 777 ARG HG3 . 18391 1 399 . 1 1 69 69 ARG HD2 H 1 3.242 0.020 . 1 . . . A 777 ARG HD2 . 18391 1 400 . 1 1 69 69 ARG HD3 H 1 3.242 0.020 . 1 . . . A 777 ARG HD3 . 18391 1 401 . 1 1 70 70 ARG H H 1 7.121 0.020 . 1 . . . A 778 ARG H . 18391 1 402 . 1 1 70 70 ARG HA H 1 4.794 0.020 . 1 . . . A 778 ARG HA . 18391 1 403 . 1 1 70 70 ARG HB2 H 1 1.019 0.020 . 2 . . . A 778 ARG HB2 . 18391 1 404 . 1 1 70 70 ARG HB3 H 1 1.664 0.020 . 2 . . . A 778 ARG HB3 . 18391 1 405 . 1 1 70 70 ARG HG2 H 1 0.820 0.020 . 2 . . . A 778 ARG HG2 . 18391 1 406 . 1 1 70 70 ARG HG3 H 1 1.309 0.020 . 2 . . . A 778 ARG HG3 . 18391 1 407 . 1 1 70 70 ARG HD2 H 1 2.947 0.020 . 2 . . . A 778 ARG HD2 . 18391 1 408 . 1 1 70 70 ARG HD3 H 1 3.129 0.020 . 2 . . . A 778 ARG HD3 . 18391 1 409 . 1 1 70 70 ARG HE H 1 9.411 0.020 . 1 . . . A 778 ARG HE . 18391 1 410 . 1 1 71 71 PHE H H 1 8.894 0.020 . 1 . . . A 779 PHE H . 18391 1 411 . 1 1 71 71 PHE HA H 1 5.106 0.020 . 1 . . . A 779 PHE HA . 18391 1 412 . 1 1 71 71 PHE HB2 H 1 2.604 0.020 . 2 . . . A 779 PHE HB2 . 18391 1 413 . 1 1 71 71 PHE HB3 H 1 3.382 0.020 . 2 . . . A 779 PHE HB3 . 18391 1 414 . 1 1 71 71 PHE HD1 H 1 7.393 0.020 . 1 . . . A 779 PHE HD1 . 18391 1 415 . 1 1 71 71 PHE HD2 H 1 7.393 0.020 . 1 . . . A 779 PHE HD2 . 18391 1 416 . 1 1 71 71 PHE HE1 H 1 7.148 0.020 . 1 . . . A 779 PHE HE1 . 18391 1 417 . 1 1 71 71 PHE HE2 H 1 7.148 0.020 . 1 . . . A 779 PHE HE2 . 18391 1 418 . 1 1 71 71 PHE HZ H 1 7.155 0.020 . 1 . . . A 779 PHE HZ . 18391 1 419 . 1 1 72 72 ILE H H 1 8.869 0.020 . 1 . . . A 780 ILE H . 18391 1 420 . 1 1 72 72 ILE HA H 1 4.734 0.020 . 1 . . . A 780 ILE HA . 18391 1 421 . 1 1 72 72 ILE HB H 1 1.167 0.020 . 1 . . . A 780 ILE HB . 18391 1 422 . 1 1 72 72 ILE HG12 H 1 0.327 0.020 . 2 . . . A 780 ILE HG12 . 18391 1 423 . 1 1 72 72 ILE HG13 H 1 1.049 0.020 . 2 . . . A 780 ILE HG13 . 18391 1 424 . 1 1 72 72 ILE HG21 H 1 0.513 0.020 . 1 . . . A 780 ILE HG21 . 18391 1 425 . 1 1 72 72 ILE HG22 H 1 0.513 0.020 . 1 . . . A 780 ILE HG22 . 18391 1 426 . 1 1 72 72 ILE HG23 H 1 0.513 0.020 . 1 . . . A 780 ILE HG23 . 18391 1 427 . 1 1 72 72 ILE HD11 H 1 -0.490 0.020 . 1 . . . A 780 ILE HD11 . 18391 1 428 . 1 1 72 72 ILE HD12 H 1 -0.490 0.020 . 1 . . . A 780 ILE HD12 . 18391 1 429 . 1 1 72 72 ILE HD13 H 1 -0.490 0.020 . 1 . . . A 780 ILE HD13 . 18391 1 430 . 1 1 73 73 THR H H 1 8.181 0.020 . 1 . . . A 781 THR H . 18391 1 431 . 1 1 73 73 THR HA H 1 5.127 0.020 . 1 . . . A 781 THR HA . 18391 1 432 . 1 1 73 73 THR HB H 1 3.844 0.020 . 1 . . . A 781 THR HB . 18391 1 433 . 1 1 73 73 THR HG21 H 1 1.018 0.020 . 1 . . . A 781 THR HG21 . 18391 1 434 . 1 1 73 73 THR HG22 H 1 1.018 0.020 . 1 . . . A 781 THR HG22 . 18391 1 435 . 1 1 73 73 THR HG23 H 1 1.018 0.020 . 1 . . . A 781 THR HG23 . 18391 1 436 . 1 1 74 74 VAL H H 1 9.155 0.020 . 1 . . . A 782 VAL H . 18391 1 437 . 1 1 74 74 VAL HA H 1 5.297 0.020 . 1 . . . A 782 VAL HA . 18391 1 438 . 1 1 74 74 VAL HB H 1 1.938 0.020 . 1 . . . A 782 VAL HB . 18391 1 439 . 1 1 74 74 VAL HG11 H 1 0.748 0.020 . 2 . . . A 782 VAL HG11 . 18391 1 440 . 1 1 74 74 VAL HG12 H 1 0.748 0.020 . 2 . . . A 782 VAL HG12 . 18391 1 441 . 1 1 74 74 VAL HG13 H 1 0.748 0.020 . 2 . . . A 782 VAL HG13 . 18391 1 442 . 1 1 74 74 VAL HG21 H 1 0.919 0.020 . 2 . . . A 782 VAL HG21 . 18391 1 443 . 1 1 74 74 VAL HG22 H 1 0.919 0.020 . 2 . . . A 782 VAL HG22 . 18391 1 444 . 1 1 74 74 VAL HG23 H 1 0.919 0.020 . 2 . . . A 782 VAL HG23 . 18391 1 445 . 1 1 75 75 SER H H 1 8.746 0.020 . 1 . . . A 783 SER H . 18391 1 446 . 1 1 75 75 SER HA H 1 5.507 0.020 . 1 . . . A 783 SER HA . 18391 1 447 . 1 1 75 75 SER HB2 H 1 3.845 0.020 . 2 . . . A 783 SER HB2 . 18391 1 448 . 1 1 75 75 SER HB3 H 1 3.936 0.020 . 2 . . . A 783 SER HB3 . 18391 1 449 . 1 1 76 76 LYS H H 1 8.275 0.020 . 1 . . . A 784 LYS H . 18391 1 450 . 1 1 76 76 LYS HA H 1 4.519 0.020 . 1 . . . A 784 LYS HA . 18391 1 451 . 1 1 76 76 LYS HB2 H 1 1.753 0.020 . 2 . . . A 784 LYS HB2 . 18391 1 452 . 1 1 76 76 LYS HB3 H 1 1.979 0.020 . 2 . . . A 784 LYS HB3 . 18391 1 453 . 1 1 76 76 LYS HG2 H 1 1.257 0.020 . 2 . . . A 784 LYS HG2 . 18391 1 454 . 1 1 76 76 LYS HG3 H 1 1.343 0.020 . 2 . . . A 784 LYS HG3 . 18391 1 455 . 1 1 76 76 LYS HD2 H 1 1.625 0.020 . 1 . . . A 784 LYS HD2 . 18391 1 456 . 1 1 76 76 LYS HD3 H 1 1.625 0.020 . 1 . . . A 784 LYS HD3 . 18391 1 457 . 1 1 76 76 LYS HE2 H 1 2.956 0.020 . 1 . . . A 784 LYS HE2 . 18391 1 458 . 1 1 76 76 LYS HE3 H 1 2.956 0.020 . 1 . . . A 784 LYS HE3 . 18391 1 459 . 1 1 77 77 ARG H H 1 9.036 0.020 . 1 . . . A 785 ARG H . 18391 1 460 . 1 1 77 77 ARG HA H 1 4.310 0.020 . 1 . . . A 785 ARG HA . 18391 1 461 . 1 1 77 77 ARG HB2 H 1 1.742 0.020 . 2 . . . A 785 ARG HB2 . 18391 1 462 . 1 1 77 77 ARG HB3 H 1 1.855 0.020 . 2 . . . A 785 ARG HB3 . 18391 1 463 . 1 1 77 77 ARG HG2 H 1 1.611 0.020 . 1 . . . A 785 ARG HG2 . 18391 1 464 . 1 1 77 77 ARG HG3 H 1 1.611 0.020 . 1 . . . A 785 ARG HG3 . 18391 1 465 . 1 1 77 77 ARG HD2 H 1 3.189 0.020 . 1 . . . A 785 ARG HD2 . 18391 1 466 . 1 1 77 77 ARG HD3 H 1 3.189 0.020 . 1 . . . A 785 ARG HD3 . 18391 1 467 . 1 1 78 78 ALA H H 1 8.484 0.020 . 1 . . . A 786 ALA H . 18391 1 468 . 1 1 78 78 ALA HA H 1 4.297 0.020 . 1 . . . A 786 ALA HA . 18391 1 469 . 1 1 78 78 ALA HB1 H 1 1.379 0.020 . 1 . . . A 786 ALA HB1 . 18391 1 470 . 1 1 78 78 ALA HB2 H 1 1.379 0.020 . 1 . . . A 786 ALA HB2 . 18391 1 471 . 1 1 78 78 ALA HB3 H 1 1.379 0.020 . 1 . . . A 786 ALA HB3 . 18391 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 18391 _Assigned_chem_shift_list.ID 2 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _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 'Assignments from 3D spectra' _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' . . . 18391 2 4 '3D 1H-15N NOESY' . . . 18391 2 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 9 9 PRO HA H 1 4.420 0.020 . 1 . . . A 717 PRO HA . 18391 2 2 . 1 1 10 10 GLU H H 1 8.492 0.020 . 1 . . . A 718 GLU H . 18391 2 3 . 1 1 10 10 GLU HA H 1 4.247 0.020 . 1 . . . A 718 GLU HA . 18391 2 4 . 1 1 10 10 GLU HB2 H 1 1.912 0.020 . 2 . . . A 718 GLU HB2 . 18391 2 5 . 1 1 10 10 GLU HB3 H 1 2.027 0.020 . 2 . . . A 718 GLU HB3 . 18391 2 6 . 1 1 10 10 GLU HG2 H 1 2.257 0.020 . 1 . . . A 718 GLU HG2 . 18391 2 7 . 1 1 10 10 GLU HG3 H 1 2.257 0.020 . 1 . . . A 718 GLU HG3 . 18391 2 8 . 1 1 10 10 GLU N N 15 120.706 0.3 . 1 . . . A 718 GLU N . 18391 2 9 . 1 1 11 11 GLY H H 1 8.375 0.020 . 1 . . . A 719 GLY H . 18391 2 10 . 1 1 11 11 GLY HA2 H 1 3.952 0.020 . 1 . . . A 719 GLY HA2 . 18391 2 11 . 1 1 11 11 GLY HA3 H 1 3.952 0.020 . 1 . . . A 719 GLY HA3 . 18391 2 12 . 1 1 11 11 GLY N N 15 110.152 0.3 . 1 . . . A 719 GLY N . 18391 2 13 . 1 1 12 12 VAL H H 1 7.912 0.020 . 1 . . . A 720 VAL H . 18391 2 14 . 1 1 12 12 VAL HA H 1 4.114 0.020 . 1 . . . A 720 VAL HA . 18391 2 15 . 1 1 12 12 VAL HB H 1 2.062 0.020 . 1 . . . A 720 VAL HB . 18391 2 16 . 1 1 12 12 VAL HG11 H 1 0.889 0.020 . 1 . . . A 720 VAL HG11 . 18391 2 17 . 1 1 12 12 VAL HG12 H 1 0.889 0.020 . 1 . . . A 720 VAL HG12 . 18391 2 18 . 1 1 12 12 VAL HG13 H 1 0.889 0.020 . 1 . . . A 720 VAL HG13 . 18391 2 19 . 1 1 12 12 VAL HG21 H 1 0.889 0.020 . 1 . . . A 720 VAL HG21 . 18391 2 20 . 1 1 12 12 VAL HG22 H 1 0.889 0.020 . 1 . . . A 720 VAL HG22 . 18391 2 21 . 1 1 12 12 VAL HG23 H 1 0.889 0.020 . 1 . . . A 720 VAL HG23 . 18391 2 22 . 1 1 12 12 VAL N N 15 119.024 0.3 . 1 . . . A 720 VAL N . 18391 2 23 . 1 1 13 13 GLU H H 1 8.593 0.020 . 1 . . . A 721 GLU H . 18391 2 24 . 1 1 13 13 GLU HA H 1 4.293 0.020 . 1 . . . A 721 GLU HA . 18391 2 25 . 1 1 13 13 GLU HB2 H 1 1.921 0.020 . 2 . . . A 721 GLU HB2 . 18391 2 26 . 1 1 13 13 GLU HB3 H 1 2.037 0.020 . 2 . . . A 721 GLU HB3 . 18391 2 27 . 1 1 13 13 GLU HG2 H 1 2.254 0.020 . 1 . . . A 721 GLU HG2 . 18391 2 28 . 1 1 13 13 GLU HG3 H 1 2.254 0.020 . 1 . . . A 721 GLU HG3 . 18391 2 29 . 1 1 13 13 GLU N N 15 124.464 0.3 . 1 . . . A 721 GLU N . 18391 2 30 . 1 1 14 14 SER H H 1 8.374 0.020 . 1 . . . A 722 SER H . 18391 2 31 . 1 1 14 14 SER HA H 1 4.416 0.020 . 1 . . . A 722 SER HA . 18391 2 32 . 1 1 14 14 SER HB2 H 1 3.858 0.020 . 1 . . . A 722 SER HB2 . 18391 2 33 . 1 1 14 14 SER HB3 H 1 3.858 0.020 . 1 . . . A 722 SER HB3 . 18391 2 34 . 1 1 14 14 SER N N 15 117.152 0.3 . 1 . . . A 722 SER N . 18391 2 35 . 1 1 15 15 GLN H H 1 8.536 0.020 . 1 . . . A 723 GLN H . 18391 2 36 . 1 1 15 15 GLN HA H 1 4.328 0.020 . 1 . . . A 723 GLN HA . 18391 2 37 . 1 1 15 15 GLN HB2 H 1 1.949 0.020 . 2 . . . A 723 GLN HB2 . 18391 2 38 . 1 1 15 15 GLN HB3 H 1 2.118 0.020 . 2 . . . A 723 GLN HB3 . 18391 2 39 . 1 1 15 15 GLN HG2 H 1 2.332 0.020 . 1 . . . A 723 GLN HG2 . 18391 2 40 . 1 1 15 15 GLN HG3 H 1 2.332 0.020 . 1 . . . A 723 GLN HG3 . 18391 2 41 . 1 1 15 15 GLN HE21 H 1 7.534 0.020 . 1 . . . A 723 GLN HE21 . 18391 2 42 . 1 1 15 15 GLN HE22 H 1 6.821 0.020 . 1 . . . A 723 GLN HE22 . 18391 2 43 . 1 1 15 15 GLN N N 15 122.755 0.3 . 1 . . . A 723 GLN N . 18391 2 44 . 1 1 15 15 GLN NE2 N 15 112.636 0.3 . 1 . . . A 723 GLN NE2 . 18391 2 45 . 1 1 16 16 ASP H H 1 8.327 0.020 . 1 . . . A 724 ASP H . 18391 2 46 . 1 1 16 16 ASP HA H 1 4.541 0.020 . 1 . . . A 724 ASP HA . 18391 2 47 . 1 1 16 16 ASP HB2 H 1 2.650 0.020 . 1 . . . A 724 ASP HB2 . 18391 2 48 . 1 1 16 16 ASP HB3 H 1 2.650 0.020 . 1 . . . A 724 ASP HB3 . 18391 2 49 . 1 1 16 16 ASP N N 15 121.003 0.3 . 1 . . . A 724 ASP N . 18391 2 50 . 1 1 17 17 GLY H H 1 8.347 0.020 . 1 . . . A 725 GLY H . 18391 2 51 . 1 1 17 17 GLY HA2 H 1 3.879 0.020 . 1 . . . A 725 GLY HA2 . 18391 2 52 . 1 1 17 17 GLY HA3 H 1 3.879 0.020 . 1 . . . A 725 GLY HA3 . 18391 2 53 . 1 1 17 17 GLY N N 15 109.622 0.3 . 1 . . . A 725 GLY N . 18391 2 54 . 1 1 18 18 VAL H H 1 7.950 0.020 . 1 . . . A 726 VAL H . 18391 2 55 . 1 1 18 18 VAL HA H 1 3.866 0.020 . 1 . . . A 726 VAL HA . 18391 2 56 . 1 1 18 18 VAL HB H 1 2.027 0.020 . 1 . . . A 726 VAL HB . 18391 2 57 . 1 1 18 18 VAL HG11 H 1 0.851 0.020 . 2 . . . A 726 VAL HG11 . 18391 2 58 . 1 1 18 18 VAL HG12 H 1 0.851 0.020 . 2 . . . A 726 VAL HG12 . 18391 2 59 . 1 1 18 18 VAL HG13 H 1 0.851 0.020 . 2 . . . A 726 VAL HG13 . 18391 2 60 . 1 1 18 18 VAL HG21 H 1 0.930 0.020 . 2 . . . A 726 VAL HG21 . 18391 2 61 . 1 1 18 18 VAL HG22 H 1 0.930 0.020 . 2 . . . A 726 VAL HG22 . 18391 2 62 . 1 1 18 18 VAL HG23 H 1 0.930 0.020 . 2 . . . A 726 VAL HG23 . 18391 2 63 . 1 1 18 18 VAL N N 15 119.651 0.3 . 1 . . . A 726 VAL N . 18391 2 64 . 1 1 19 19 ASP H H 1 8.390 0.020 . 1 . . . A 727 ASP H . 18391 2 65 . 1 1 19 19 ASP HA H 1 4.506 0.020 . 1 . . . A 727 ASP HA . 18391 2 66 . 1 1 19 19 ASP HB2 H 1 2.561 0.020 . 2 . . . A 727 ASP HB2 . 18391 2 67 . 1 1 19 19 ASP HB3 H 1 2.740 0.020 . 2 . . . A 727 ASP HB3 . 18391 2 68 . 1 1 19 19 ASP N N 15 122.967 0.3 . 1 . . . A 727 ASP N . 18391 2 69 . 1 1 20 20 HIS HA H 1 4.397 0.020 . 1 . . . A 728 HIS HA . 18391 2 70 . 1 1 21 21 PHE H H 1 7.882 0.020 . 1 . . . A 729 PHE H . 18391 2 71 . 1 1 21 21 PHE HA H 1 4.597 0.020 . 1 . . . A 729 PHE HA . 18391 2 72 . 1 1 21 21 PHE HB2 H 1 2.928 0.020 . 1 . . . A 729 PHE HB2 . 18391 2 73 . 1 1 21 21 PHE HB3 H 1 2.928 0.020 . 1 . . . A 729 PHE HB3 . 18391 2 74 . 1 1 21 21 PHE HD1 H 1 7.120 0.020 . 1 . . . A 729 PHE HD1 . 18391 2 75 . 1 1 21 21 PHE HD2 H 1 7.120 0.020 . 1 . . . A 729 PHE HD2 . 18391 2 76 . 1 1 21 21 PHE HE1 H 1 7.378 0.020 . 1 . . . A 729 PHE HE1 . 18391 2 77 . 1 1 21 21 PHE HE2 H 1 7.378 0.020 . 1 . . . A 729 PHE HE2 . 18391 2 78 . 1 1 21 21 PHE HZ H 1 7.208 0.020 . 1 . . . A 729 PHE HZ . 18391 2 79 . 1 1 21 21 PHE N N 15 118.642 0.3 . 1 . . . A 729 PHE N . 18391 2 80 . 1 1 22 22 ARG H H 1 8.332 0.020 . 1 . . . A 730 ARG H . 18391 2 81 . 1 1 22 22 ARG HA H 1 3.842 0.020 . 1 . . . A 730 ARG HA . 18391 2 82 . 1 1 22 22 ARG HB2 H 1 1.908 0.020 . 1 . . . A 730 ARG HB2 . 18391 2 83 . 1 1 22 22 ARG HB3 H 1 1.908 0.020 . 1 . . . A 730 ARG HB3 . 18391 2 84 . 1 1 22 22 ARG HG2 H 1 1.619 0.020 . 1 . . . A 730 ARG HG2 . 18391 2 85 . 1 1 22 22 ARG HG3 H 1 1.619 0.020 . 1 . . . A 730 ARG HG3 . 18391 2 86 . 1 1 22 22 ARG HD3 H 1 3.376 0.020 . 1 . . . A 730 ARG HD3 . 18391 2 87 . 1 1 22 22 ARG N N 15 119.988 0.3 . 1 . . . A 730 ARG N . 18391 2 88 . 1 1 23 23 ALA H H 1 7.988 0.020 . 1 . . . A 731 ALA H . 18391 2 89 . 1 1 23 23 ALA HA H 1 4.062 0.020 . 1 . . . A 731 ALA HA . 18391 2 90 . 1 1 23 23 ALA HB1 H 1 1.475 0.020 . 1 . . . A 731 ALA HB1 . 18391 2 91 . 1 1 23 23 ALA HB2 H 1 1.475 0.020 . 1 . . . A 731 ALA HB2 . 18391 2 92 . 1 1 23 23 ALA HB3 H 1 1.475 0.020 . 1 . . . A 731 ALA HB3 . 18391 2 93 . 1 1 23 23 ALA N N 15 120.596 0.3 . 1 . . . A 731 ALA N . 18391 2 94 . 1 1 24 24 MET H H 1 8.037 0.020 . 1 . . . A 732 MET H . 18391 2 95 . 1 1 24 24 MET HA H 1 4.076 0.020 . 1 . . . A 732 MET HA . 18391 2 96 . 1 1 24 24 MET HB2 H 1 2.011 0.020 . 2 . . . A 732 MET HB2 . 18391 2 97 . 1 1 24 24 MET HB3 H 1 2.338 0.020 . 2 . . . A 732 MET HB3 . 18391 2 98 . 1 1 24 24 MET HG2 H 1 2.457 0.020 . 2 . . . A 732 MET HG2 . 18391 2 99 . 1 1 24 24 MET HG3 H 1 2.602 0.020 . 2 . . . A 732 MET HG3 . 18391 2 100 . 1 1 24 24 MET HE1 H 1 1.792 0.020 . 1 . . . A 732 MET HE1 . 18391 2 101 . 1 1 24 24 MET HE2 H 1 1.792 0.020 . 1 . . . A 732 MET HE2 . 18391 2 102 . 1 1 24 24 MET HE3 H 1 1.792 0.020 . 1 . . . A 732 MET HE3 . 18391 2 103 . 1 1 24 24 MET N N 15 116.747 0.3 . 1 . . . A 732 MET N . 18391 2 104 . 1 1 25 25 ILE H H 1 8.038 0.020 . 1 . . . A 733 ILE H . 18391 2 105 . 1 1 25 25 ILE HA H 1 3.739 0.020 . 1 . . . A 733 ILE HA . 18391 2 106 . 1 1 25 25 ILE HB H 1 1.997 0.020 . 1 . . . A 733 ILE HB . 18391 2 107 . 1 1 25 25 ILE HG12 H 1 1.149 0.020 . 2 . . . A 733 ILE HG12 . 18391 2 108 . 1 1 25 25 ILE HG13 H 1 1.872 0.020 . 2 . . . A 733 ILE HG13 . 18391 2 109 . 1 1 25 25 ILE HG21 H 1 0.601 0.020 . 1 . . . A 733 ILE HG21 . 18391 2 110 . 1 1 25 25 ILE HG22 H 1 0.601 0.020 . 1 . . . A 733 ILE HG22 . 18391 2 111 . 1 1 25 25 ILE HG23 H 1 0.601 0.020 . 1 . . . A 733 ILE HG23 . 18391 2 112 . 1 1 25 25 ILE HD11 H 1 0.818 0.020 . 1 . . . A 733 ILE HD11 . 18391 2 113 . 1 1 25 25 ILE HD12 H 1 0.818 0.020 . 1 . . . A 733 ILE HD12 . 18391 2 114 . 1 1 25 25 ILE HD13 H 1 0.818 0.020 . 1 . . . A 733 ILE HD13 . 18391 2 115 . 1 1 25 25 ILE N N 15 121.929 0.3 . 1 . . . A 733 ILE N . 18391 2 116 . 1 1 26 26 VAL H H 1 8.778 0.020 . 1 . . . A 734 VAL H . 18391 2 117 . 1 1 26 26 VAL HA H 1 3.525 0.020 . 1 . . . A 734 VAL HA . 18391 2 118 . 1 1 26 26 VAL HB H 1 2.097 0.020 . 1 . . . A 734 VAL HB . 18391 2 119 . 1 1 26 26 VAL HG11 H 1 0.916 0.020 . 2 . . . A 734 VAL HG11 . 18391 2 120 . 1 1 26 26 VAL HG12 H 1 0.916 0.020 . 2 . . . A 734 VAL HG12 . 18391 2 121 . 1 1 26 26 VAL HG13 H 1 0.916 0.020 . 2 . . . A 734 VAL HG13 . 18391 2 122 . 1 1 26 26 VAL HG21 H 1 0.995 0.020 . 2 . . . A 734 VAL HG21 . 18391 2 123 . 1 1 26 26 VAL HG22 H 1 0.995 0.020 . 2 . . . A 734 VAL HG22 . 18391 2 124 . 1 1 26 26 VAL HG23 H 1 0.995 0.020 . 2 . . . A 734 VAL HG23 . 18391 2 125 . 1 1 26 26 VAL N N 15 123.165 0.3 . 1 . . . A 734 VAL N . 18391 2 126 . 1 1 27 27 GLU H H 1 8.025 0.020 . 1 . . . A 735 GLU H . 18391 2 127 . 1 1 27 27 GLU HA H 1 4.057 0.020 . 1 . . . A 735 GLU HA . 18391 2 128 . 1 1 27 27 GLU HB2 H 1 2.082 0.020 . 1 . . . A 735 GLU HB2 . 18391 2 129 . 1 1 27 27 GLU HB3 H 1 2.082 0.020 . 1 . . . A 735 GLU HB3 . 18391 2 130 . 1 1 27 27 GLU HG2 H 1 2.204 0.020 . 2 . . . A 735 GLU HG2 . 18391 2 131 . 1 1 27 27 GLU HG3 H 1 2.352 0.020 . 2 . . . A 735 GLU HG3 . 18391 2 132 . 1 1 27 27 GLU N N 15 120.978 0.3 . 1 . . . A 735 GLU N . 18391 2 133 . 1 1 28 28 PHE H H 1 7.956 0.020 . 1 . . . A 736 PHE H . 18391 2 134 . 1 1 28 28 PHE HA H 1 4.477 0.020 . 1 . . . A 736 PHE HA . 18391 2 135 . 1 1 28 28 PHE HB2 H 1 3.355 0.020 . 1 . . . A 736 PHE HB2 . 18391 2 136 . 1 1 28 28 PHE HB3 H 1 3.355 0.020 . 1 . . . A 736 PHE HB3 . 18391 2 137 . 1 1 28 28 PHE HD1 H 1 7.009 0.020 . 1 . . . A 736 PHE HD1 . 18391 2 138 . 1 1 28 28 PHE HD2 H 1 7.009 0.020 . 1 . . . A 736 PHE HD2 . 18391 2 139 . 1 1 28 28 PHE HE1 H 1 6.824 0.020 . 1 . . . A 736 PHE HE1 . 18391 2 140 . 1 1 28 28 PHE HE2 H 1 6.824 0.020 . 1 . . . A 736 PHE HE2 . 18391 2 141 . 1 1 28 28 PHE HZ H 1 6.936 0.020 . 1 . . . A 736 PHE HZ . 18391 2 142 . 1 1 28 28 PHE N N 15 121.002 0.3 . 1 . . . A 736 PHE N . 18391 2 143 . 1 1 29 29 MET H H 1 8.765 0.020 . 1 . . . A 737 MET H . 18391 2 144 . 1 1 29 29 MET HA H 1 3.495 0.020 . 1 . . . A 737 MET HA . 18391 2 145 . 1 1 29 29 MET HB2 H 1 2.141 0.020 . 2 . . . A 737 MET HB2 . 18391 2 146 . 1 1 29 29 MET HB3 H 1 2.179 0.020 . 2 . . . A 737 MET HB3 . 18391 2 147 . 1 1 29 29 MET HG2 H 1 2.403 0.020 . 2 . . . A 737 MET HG2 . 18391 2 148 . 1 1 29 29 MET HG3 H 1 2.743 0.020 . 2 . . . A 737 MET HG3 . 18391 2 149 . 1 1 29 29 MET HE1 H 1 2.055 0.020 . 1 . . . A 737 MET HE1 . 18391 2 150 . 1 1 29 29 MET HE2 H 1 2.055 0.020 . 1 . . . A 737 MET HE2 . 18391 2 151 . 1 1 29 29 MET HE3 H 1 2.055 0.020 . 1 . . . A 737 MET HE3 . 18391 2 152 . 1 1 29 29 MET N N 15 122.136 0.3 . 1 . . . A 737 MET N . 18391 2 153 . 1 1 30 30 ALA H H 1 7.099 0.020 . 1 . . . A 738 ALA H . 18391 2 154 . 1 1 30 30 ALA HA H 1 4.292 0.020 . 1 . . . A 738 ALA HA . 18391 2 155 . 1 1 30 30 ALA HB1 H 1 1.451 0.020 . 1 . . . A 738 ALA HB1 . 18391 2 156 . 1 1 30 30 ALA HB2 H 1 1.451 0.020 . 1 . . . A 738 ALA HB2 . 18391 2 157 . 1 1 30 30 ALA HB3 H 1 1.451 0.020 . 1 . . . A 738 ALA HB3 . 18391 2 158 . 1 1 30 30 ALA N N 15 119.069 0.3 . 1 . . . A 738 ALA N . 18391 2 159 . 1 1 31 31 SER H H 1 7.442 0.020 . 1 . . . A 739 SER H . 18391 2 160 . 1 1 31 31 SER HA H 1 4.579 0.020 . 1 . . . A 739 SER HA . 18391 2 161 . 1 1 31 31 SER HB2 H 1 4.161 0.020 . 2 . . . A 739 SER HB2 . 18391 2 162 . 1 1 31 31 SER HB3 H 1 4.201 0.020 . 2 . . . A 739 SER HB3 . 18391 2 163 . 1 1 31 31 SER N N 15 116.297 0.3 . 1 . . . A 739 SER N . 18391 2 164 . 1 1 32 32 LYS H H 1 8.507 0.020 . 1 . . . A 740 LYS H . 18391 2 165 . 1 1 32 32 LYS HA H 1 4.334 0.020 . 1 . . . A 740 LYS HA . 18391 2 166 . 1 1 32 32 LYS HB3 H 1 1.670 0.020 . 1 . . . A 740 LYS HB3 . 18391 2 167 . 1 1 32 32 LYS N N 15 116.776 0.3 . 1 . . . A 740 LYS N . 18391 2 168 . 1 1 33 33 LYS H H 1 8.007 0.020 . 1 . . . A 741 LYS H . 18391 2 169 . 1 1 33 33 LYS HA H 1 4.223 0.020 . 1 . . . A 741 LYS HA . 18391 2 170 . 1 1 33 33 LYS HB2 H 1 1.920 0.020 . 2 . . . A 741 LYS HB2 . 18391 2 171 . 1 1 33 33 LYS HB3 H 1 2.069 0.020 . 2 . . . A 741 LYS HB3 . 18391 2 172 . 1 1 33 33 LYS HG2 H 1 1.607 0.020 . 2 . . . A 741 LYS HG2 . 18391 2 173 . 1 1 33 33 LYS HG3 H 1 1.644 0.020 . 2 . . . A 741 LYS HG3 . 18391 2 174 . 1 1 33 33 LYS N N 15 119.817 0.3 . 1 . . . A 741 LYS N . 18391 2 175 . 1 1 34 34 MET H H 1 8.719 0.020 . 1 . . . A 742 MET H . 18391 2 176 . 1 1 34 34 MET HA H 1 4.809 0.020 . 1 . . . A 742 MET HA . 18391 2 177 . 1 1 34 34 MET HB2 H 1 2.066 0.020 . 2 . . . A 742 MET HB2 . 18391 2 178 . 1 1 34 34 MET HB3 H 1 2.233 0.020 . 2 . . . A 742 MET HB3 . 18391 2 179 . 1 1 34 34 MET HG2 H 1 2.497 0.020 . 1 . . . A 742 MET HG2 . 18391 2 180 . 1 1 34 34 MET N N 15 117.467 0.3 . 1 . . . A 742 MET N . 18391 2 181 . 1 1 35 35 GLN H H 1 7.841 0.020 . 1 . . . A 743 GLN H . 18391 2 182 . 1 1 35 35 GLN HA H 1 5.199 0.020 . 1 . . . A 743 GLN HA . 18391 2 183 . 1 1 35 35 GLN HB2 H 1 1.898 0.020 . 2 . . . A 743 GLN HB2 . 18391 2 184 . 1 1 35 35 GLN HB3 H 1 1.959 0.020 . 2 . . . A 743 GLN HB3 . 18391 2 185 . 1 1 35 35 GLN HG2 H 1 2.190 0.020 . 2 . . . A 743 GLN HG2 . 18391 2 186 . 1 1 35 35 GLN HG3 H 1 2.295 0.020 . 2 . . . A 743 GLN HG3 . 18391 2 187 . 1 1 35 35 GLN HE21 H 1 7.622 0.020 . 1 . . . A 743 GLN HE21 . 18391 2 188 . 1 1 35 35 GLN HE22 H 1 6.863 0.020 . 1 . . . A 743 GLN HE22 . 18391 2 189 . 1 1 35 35 GLN N N 15 116.845 0.3 . 1 . . . A 743 GLN N . 18391 2 190 . 1 1 35 35 GLN NE2 N 15 112.488 0.3 . 1 . . . A 743 GLN NE2 . 18391 2 191 . 1 1 36 36 LEU H H 1 8.897 0.020 . 1 . . . A 744 LEU H . 18391 2 192 . 1 1 36 36 LEU HA H 1 4.207 0.020 . 1 . . . A 744 LEU HA . 18391 2 193 . 1 1 36 36 LEU HB2 H 1 -0.036 0.020 . 2 . . . A 744 LEU HB2 . 18391 2 194 . 1 1 36 36 LEU HB3 H 1 0.708 0.020 . 2 . . . A 744 LEU HB3 . 18391 2 195 . 1 1 36 36 LEU HG H 1 0.641 0.020 . 1 . . . A 744 LEU HG . 18391 2 196 . 1 1 36 36 LEU HD11 H 1 0.196 0.020 . 2 . . . A 744 LEU HD11 . 18391 2 197 . 1 1 36 36 LEU HD12 H 1 0.196 0.020 . 2 . . . A 744 LEU HD12 . 18391 2 198 . 1 1 36 36 LEU HD13 H 1 0.196 0.020 . 2 . . . A 744 LEU HD13 . 18391 2 199 . 1 1 36 36 LEU HD21 H 1 0.436 0.020 . 2 . . . A 744 LEU HD21 . 18391 2 200 . 1 1 36 36 LEU HD22 H 1 0.436 0.020 . 2 . . . A 744 LEU HD22 . 18391 2 201 . 1 1 36 36 LEU HD23 H 1 0.436 0.020 . 2 . . . A 744 LEU HD23 . 18391 2 202 . 1 1 36 36 LEU N N 15 125.791 0.3 . 1 . . . A 744 LEU N . 18391 2 203 . 1 1 37 37 GLU H H 1 8.588 0.020 . 1 . . . A 745 GLU H . 18391 2 204 . 1 1 37 37 GLU HA H 1 4.744 0.020 . 1 . . . A 745 GLU HA . 18391 2 205 . 1 1 37 37 GLU HB2 H 1 1.796 0.020 . 2 . . . A 745 GLU HB2 . 18391 2 206 . 1 1 37 37 GLU HB3 H 1 1.903 0.020 . 2 . . . A 745 GLU HB3 . 18391 2 207 . 1 1 37 37 GLU HG2 H 1 2.237 0.020 . 2 . . . A 745 GLU HG2 . 18391 2 208 . 1 1 37 37 GLU HG3 H 1 2.308 0.020 . 2 . . . A 745 GLU HG3 . 18391 2 209 . 1 1 37 37 GLU N N 15 126.813 0.3 . 1 . . . A 745 GLU N . 18391 2 210 . 1 1 38 38 PHE H H 1 8.894 0.020 . 1 . . . A 746 PHE H . 18391 2 211 . 1 1 38 38 PHE HA H 1 4.434 0.020 . 1 . . . A 746 PHE HA . 18391 2 212 . 1 1 38 38 PHE HB2 H 1 2.886 0.020 . 2 . . . A 746 PHE HB2 . 18391 2 213 . 1 1 38 38 PHE HB3 H 1 3.389 0.020 . 2 . . . A 746 PHE HB3 . 18391 2 214 . 1 1 38 38 PHE HD1 H 1 7.138 0.020 . 1 . . . A 746 PHE HD1 . 18391 2 215 . 1 1 38 38 PHE HD2 H 1 7.138 0.020 . 1 . . . A 746 PHE HD2 . 18391 2 216 . 1 1 38 38 PHE HE1 H 1 7.081 0.020 . 1 . . . A 746 PHE HE1 . 18391 2 217 . 1 1 38 38 PHE HE2 H 1 7.081 0.020 . 1 . . . A 746 PHE HE2 . 18391 2 218 . 1 1 38 38 PHE HZ H 1 6.867 0.020 . 1 . . . A 746 PHE HZ . 18391 2 219 . 1 1 38 38 PHE N N 15 125.259 0.3 . 1 . . . A 746 PHE N . 18391 2 220 . 1 1 39 39 PRO HA H 1 4.725 0.020 . 1 . . . A 747 PRO HA . 18391 2 221 . 1 1 39 39 PRO HB2 H 1 2.116 0.020 . 2 . . . A 747 PRO HB2 . 18391 2 222 . 1 1 39 39 PRO HB3 H 1 2.412 0.020 . 2 . . . A 747 PRO HB3 . 18391 2 223 . 1 1 39 39 PRO HG2 H 1 1.962 0.020 . 1 . . . A 747 PRO HG2 . 18391 2 224 . 1 1 39 39 PRO HD2 H 1 3.754 0.020 . 2 . . . A 747 PRO HD2 . 18391 2 225 . 1 1 39 39 PRO HD3 H 1 3.786 0.020 . 2 . . . A 747 PRO HD3 . 18391 2 226 . 1 1 40 40 PRO HA H 1 4.806 0.020 . 1 . . . A 748 PRO HA . 18391 2 227 . 1 1 40 40 PRO HB2 H 1 1.964 0.020 . 2 . . . A 748 PRO HB2 . 18391 2 228 . 1 1 40 40 PRO HB3 H 1 2.400 0.020 . 2 . . . A 748 PRO HB3 . 18391 2 229 . 1 1 40 40 PRO HG2 H 1 1.959 0.020 . 2 . . . A 748 PRO HG2 . 18391 2 230 . 1 1 40 40 PRO HG3 H 1 2.117 0.020 . 2 . . . A 748 PRO HG3 . 18391 2 231 . 1 1 40 40 PRO HD2 H 1 3.582 0.020 . 2 . . . A 748 PRO HD2 . 18391 2 232 . 1 1 40 40 PRO HD3 H 1 3.767 0.020 . 2 . . . A 748 PRO HD3 . 18391 2 233 . 1 1 41 41 SER H H 1 6.975 0.020 . 1 . . . A 749 SER H . 18391 2 234 . 1 1 41 41 SER HA H 1 4.185 0.020 . 1 . . . A 749 SER HA . 18391 2 235 . 1 1 41 41 SER HB2 H 1 3.830 0.020 . 2 . . . A 749 SER HB2 . 18391 2 236 . 1 1 41 41 SER HB3 H 1 4.061 0.020 . 2 . . . A 749 SER HB3 . 18391 2 237 . 1 1 41 41 SER N N 15 110.199 0.3 . 1 . . . A 749 SER N . 18391 2 238 . 1 1 42 42 LEU H H 1 7.039 0.020 . 1 . . . A 750 LEU H . 18391 2 239 . 1 1 42 42 LEU HA H 1 4.420 0.020 . 1 . . . A 750 LEU HA . 18391 2 240 . 1 1 42 42 LEU HB2 H 1 1.721 0.020 . 2 . . . A 750 LEU HB2 . 18391 2 241 . 1 1 42 42 LEU HB3 H 1 1.831 0.020 . 2 . . . A 750 LEU HB3 . 18391 2 242 . 1 1 42 42 LEU HG H 1 1.821 0.020 . 1 . . . A 750 LEU HG . 18391 2 243 . 1 1 42 42 LEU HD11 H 1 0.279 0.020 . 2 . . . A 750 LEU HD11 . 18391 2 244 . 1 1 42 42 LEU HD12 H 1 0.279 0.020 . 2 . . . A 750 LEU HD12 . 18391 2 245 . 1 1 42 42 LEU HD13 H 1 0.279 0.020 . 2 . . . A 750 LEU HD13 . 18391 2 246 . 1 1 42 42 LEU HD21 H 1 1.189 0.020 . 2 . . . A 750 LEU HD21 . 18391 2 247 . 1 1 42 42 LEU HD22 H 1 1.189 0.020 . 2 . . . A 750 LEU HD22 . 18391 2 248 . 1 1 42 42 LEU HD23 H 1 1.189 0.020 . 2 . . . A 750 LEU HD23 . 18391 2 249 . 1 1 42 42 LEU N N 15 125.394 0.3 . 1 . . . A 750 LEU N . 18391 2 250 . 1 1 43 43 ASN H H 1 9.271 0.020 . 1 . . . A 751 ASN H . 18391 2 251 . 1 1 43 43 ASN HA H 1 4.910 0.020 . 1 . . . A 751 ASN HA . 18391 2 252 . 1 1 43 43 ASN HB2 H 1 2.981 0.020 . 2 . . . A 751 ASN HB2 . 18391 2 253 . 1 1 43 43 ASN HB3 H 1 3.334 0.020 . 2 . . . A 751 ASN HB3 . 18391 2 254 . 1 1 43 43 ASN HD21 H 1 7.594 0.020 . 1 . . . A 751 ASN HD21 . 18391 2 255 . 1 1 43 43 ASN HD22 H 1 7.045 0.020 . 1 . . . A 751 ASN HD22 . 18391 2 256 . 1 1 43 43 ASN N N 15 121.368 0.3 . 1 . . . A 751 ASN N . 18391 2 257 . 1 1 43 43 ASN ND2 N 15 112.511 0.3 . 1 . . . A 751 ASN ND2 . 18391 2 258 . 1 1 44 44 SER HA H 1 3.759 0.020 . 1 . . . A 752 SER HA . 18391 2 259 . 1 1 44 44 SER HB2 H 1 3.859 0.020 . 2 . . . A 752 SER HB2 . 18391 2 260 . 1 1 44 44 SER HB3 H 1 3.882 0.020 . 2 . . . A 752 SER HB3 . 18391 2 261 . 1 1 44 44 SER N N 15 112.850 0.3 . 1 . . . A 752 SER N . 18391 2 262 . 1 1 45 45 HIS H H 1 7.865 0.020 . 1 . . . A 753 HIS H . 18391 2 263 . 1 1 45 45 HIS HA H 1 4.317 0.020 . 1 . . . A 753 HIS HA . 18391 2 264 . 1 1 45 45 HIS HB2 H 1 3.201 0.020 . 1 . . . A 753 HIS HB2 . 18391 2 265 . 1 1 45 45 HIS HB3 H 1 3.201 0.020 . 1 . . . A 753 HIS HB3 . 18391 2 266 . 1 1 45 45 HIS HD2 H 1 7.143 0.020 . 1 . . . A 753 HIS HD2 . 18391 2 267 . 1 1 45 45 HIS N N 15 121.296 0.3 . 1 . . . A 753 HIS N . 18391 2 268 . 1 1 46 46 ASP H H 1 8.342 0.020 . 1 . . . A 754 ASP H . 18391 2 269 . 1 1 46 46 ASP HA H 1 4.291 0.020 . 1 . . . A 754 ASP HA . 18391 2 270 . 1 1 46 46 ASP HB2 H 1 2.478 0.020 . 2 . . . A 754 ASP HB2 . 18391 2 271 . 1 1 46 46 ASP HB3 H 1 2.988 0.020 . 2 . . . A 754 ASP HB3 . 18391 2 272 . 1 1 46 46 ASP N N 15 121.348 0.3 . 1 . . . A 754 ASP N . 18391 2 273 . 1 1 47 47 ARG H H 1 8.228 0.020 . 1 . . . A 755 ARG H . 18391 2 274 . 1 1 47 47 ARG HA H 1 3.245 0.020 . 1 . . . A 755 ARG HA . 18391 2 275 . 1 1 47 47 ARG HB3 H 1 1.951 0.020 . 1 . . . A 755 ARG HB3 . 18391 2 276 . 1 1 47 47 ARG HG2 H 1 0.664 0.020 . 2 . . . A 755 ARG HG2 . 18391 2 277 . 1 1 47 47 ARG HG3 H 1 1.287 0.020 . 2 . . . A 755 ARG HG3 . 18391 2 278 . 1 1 47 47 ARG HD2 H 1 2.975 0.020 . 1 . . . A 755 ARG HD2 . 18391 2 279 . 1 1 47 47 ARG HD3 H 1 2.975 0.020 . 1 . . . A 755 ARG HD3 . 18391 2 280 . 1 1 47 47 ARG HE H 1 8.359 0.020 . 1 . . . A 755 ARG HE . 18391 2 281 . 1 1 47 47 ARG N N 15 116.315 0.3 . 1 . . . A 755 ARG N . 18391 2 282 . 1 1 47 47 ARG NE N 15 80.875 0.3 . 1 . . . A 755 ARG NE . 18391 2 283 . 1 1 48 48 LEU H H 1 8.062 0.020 . 1 . . . A 756 LEU H . 18391 2 284 . 1 1 48 48 LEU HA H 1 4.034 0.020 . 1 . . . A 756 LEU HA . 18391 2 285 . 1 1 48 48 LEU HB2 H 1 1.702 0.020 . 2 . . . A 756 LEU HB2 . 18391 2 286 . 1 1 48 48 LEU HB3 H 1 2.197 0.020 . 2 . . . A 756 LEU HB3 . 18391 2 287 . 1 1 48 48 LEU HG H 1 1.496 0.020 . 1 . . . A 756 LEU HG . 18391 2 288 . 1 1 48 48 LEU HD11 H 1 0.879 0.020 . 2 . . . A 756 LEU HD11 . 18391 2 289 . 1 1 48 48 LEU HD12 H 1 0.879 0.020 . 2 . . . A 756 LEU HD12 . 18391 2 290 . 1 1 48 48 LEU HD13 H 1 0.879 0.020 . 2 . . . A 756 LEU HD13 . 18391 2 291 . 1 1 48 48 LEU HD21 H 1 1.161 0.020 . 2 . . . A 756 LEU HD21 . 18391 2 292 . 1 1 48 48 LEU HD22 H 1 1.161 0.020 . 2 . . . A 756 LEU HD22 . 18391 2 293 . 1 1 48 48 LEU HD23 H 1 1.161 0.020 . 2 . . . A 756 LEU HD23 . 18391 2 294 . 1 1 48 48 LEU N N 15 119.968 0.3 . 1 . . . A 756 LEU N . 18391 2 295 . 1 1 49 49 ARG H H 1 7.391 0.020 . 1 . . . A 757 ARG H . 18391 2 296 . 1 1 49 49 ARG HA H 1 3.994 0.020 . 1 . . . A 757 ARG HA . 18391 2 297 . 1 1 49 49 ARG HB2 H 1 1.840 0.020 . 2 . . . A 757 ARG HB2 . 18391 2 298 . 1 1 49 49 ARG HB3 H 1 2.110 0.020 . 2 . . . A 757 ARG HB3 . 18391 2 299 . 1 1 49 49 ARG HG2 H 1 1.725 0.020 . 2 . . . A 757 ARG HG2 . 18391 2 300 . 1 1 49 49 ARG HG3 H 1 1.819 0.020 . 2 . . . A 757 ARG HG3 . 18391 2 301 . 1 1 49 49 ARG N N 15 116.611 0.3 . 1 . . . A 757 ARG N . 18391 2 302 . 1 1 50 50 VAL H H 1 7.576 0.020 . 1 . . . A 758 VAL H . 18391 2 303 . 1 1 50 50 VAL HA H 1 2.988 0.020 . 1 . . . A 758 VAL HA . 18391 2 304 . 1 1 50 50 VAL HB H 1 1.386 0.020 . 1 . . . A 758 VAL HB . 18391 2 305 . 1 1 50 50 VAL HG11 H 1 -0.366 0.020 . 2 . . . A 758 VAL HG11 . 18391 2 306 . 1 1 50 50 VAL HG12 H 1 -0.366 0.020 . 2 . . . A 758 VAL HG12 . 18391 2 307 . 1 1 50 50 VAL HG13 H 1 -0.366 0.020 . 2 . . . A 758 VAL HG13 . 18391 2 308 . 1 1 50 50 VAL HG21 H 1 -0.005 0.020 . 2 . . . A 758 VAL HG21 . 18391 2 309 . 1 1 50 50 VAL HG22 H 1 -0.005 0.020 . 2 . . . A 758 VAL HG22 . 18391 2 310 . 1 1 50 50 VAL HG23 H 1 -0.005 0.020 . 2 . . . A 758 VAL HG23 . 18391 2 311 . 1 1 50 50 VAL N N 15 119.742 0.3 . 1 . . . A 758 VAL N . 18391 2 312 . 1 1 51 51 HIS H H 1 8.862 0.020 . 1 . . . A 759 HIS H . 18391 2 313 . 1 1 51 51 HIS HA H 1 3.357 0.020 . 1 . . . A 759 HIS HA . 18391 2 314 . 1 1 51 51 HIS HB2 H 1 2.140 0.020 . 2 . . . A 759 HIS HB2 . 18391 2 315 . 1 1 51 51 HIS HB3 H 1 3.109 0.020 . 2 . . . A 759 HIS HB3 . 18391 2 316 . 1 1 51 51 HIS HD2 H 1 6.107 0.020 . 1 . . . A 759 HIS HD2 . 18391 2 317 . 1 1 51 51 HIS HE1 H 1 7.650 0.020 . 1 . . . A 759 HIS HE1 . 18391 2 318 . 1 1 51 51 HIS N N 15 118.517 0.3 . 1 . . . A 759 HIS N . 18391 2 319 . 1 1 51 51 HIS ND1 N 15 215.080 0.3 . 1 . . . A 759 HIS ND1 . 18391 2 320 . 1 1 51 51 HIS NE2 N 15 175.360 0.3 . 1 . . . A 759 HIS NE2 . 18391 2 321 . 1 1 52 52 GLN H H 1 8.005 0.020 . 1 . . . A 760 GLN H . 18391 2 322 . 1 1 52 52 GLN HA H 1 3.925 0.020 . 1 . . . A 760 GLN HA . 18391 2 323 . 1 1 52 52 GLN HB2 H 1 1.954 0.020 . 2 . . . A 760 GLN HB2 . 18391 2 324 . 1 1 52 52 GLN HB3 H 1 2.395 0.020 . 2 . . . A 760 GLN HB3 . 18391 2 325 . 1 1 52 52 GLN HG2 H 1 2.284 0.020 . 2 . . . A 760 GLN HG2 . 18391 2 326 . 1 1 52 52 GLN HG3 H 1 2.730 0.020 . 2 . . . A 760 GLN HG3 . 18391 2 327 . 1 1 52 52 GLN HE21 H 1 7.556 0.020 . 1 . . . A 760 GLN HE21 . 18391 2 328 . 1 1 52 52 GLN HE22 H 1 6.728 0.020 . 1 . . . A 760 GLN HE22 . 18391 2 329 . 1 1 52 52 GLN N N 15 115.947 0.3 . 1 . . . A 760 GLN N . 18391 2 330 . 1 1 52 52 GLN NE2 N 15 110.846 0.3 . 1 . . . A 760 GLN NE2 . 18391 2 331 . 1 1 53 53 ILE H H 1 8.479 0.020 . 1 . . . A 761 ILE H . 18391 2 332 . 1 1 53 53 ILE HA H 1 3.818 0.020 . 1 . . . A 761 ILE HA . 18391 2 333 . 1 1 53 53 ILE HB H 1 1.559 0.020 . 1 . . . A 761 ILE HB . 18391 2 334 . 1 1 53 53 ILE HG12 H 1 1.618 0.020 . 2 . . . A 761 ILE HG12 . 18391 2 335 . 1 1 53 53 ILE HG13 H 1 1.967 0.020 . 2 . . . A 761 ILE HG13 . 18391 2 336 . 1 1 53 53 ILE HG21 H 1 0.988 0.020 . 1 . . . A 761 ILE HG21 . 18391 2 337 . 1 1 53 53 ILE HG22 H 1 0.988 0.020 . 1 . . . A 761 ILE HG22 . 18391 2 338 . 1 1 53 53 ILE HG23 H 1 0.988 0.020 . 1 . . . A 761 ILE HG23 . 18391 2 339 . 1 1 53 53 ILE HD11 H 1 0.770 0.020 . 1 . . . A 761 ILE HD11 . 18391 2 340 . 1 1 53 53 ILE HD12 H 1 0.770 0.020 . 1 . . . A 761 ILE HD12 . 18391 2 341 . 1 1 53 53 ILE HD13 H 1 0.770 0.020 . 1 . . . A 761 ILE HD13 . 18391 2 342 . 1 1 53 53 ILE N N 15 121.714 0.3 . 1 . . . A 761 ILE N . 18391 2 343 . 1 1 54 54 ALA H H 1 8.926 0.020 . 1 . . . A 762 ALA H . 18391 2 344 . 1 1 54 54 ALA HA H 1 3.940 0.020 . 1 . . . A 762 ALA HA . 18391 2 345 . 1 1 54 54 ALA HB1 H 1 1.233 0.020 . 1 . . . A 762 ALA HB1 . 18391 2 346 . 1 1 54 54 ALA HB2 H 1 1.233 0.020 . 1 . . . A 762 ALA HB2 . 18391 2 347 . 1 1 54 54 ALA HB3 H 1 1.233 0.020 . 1 . . . A 762 ALA HB3 . 18391 2 348 . 1 1 54 54 ALA N N 15 122.903 0.3 . 1 . . . A 762 ALA N . 18391 2 349 . 1 1 55 55 GLU H H 1 8.044 0.020 . 1 . . . A 763 GLU H . 18391 2 350 . 1 1 55 55 GLU HA H 1 4.180 0.020 . 1 . . . A 763 GLU HA . 18391 2 351 . 1 1 55 55 GLU HB2 H 1 2.011 0.020 . 2 . . . A 763 GLU HB2 . 18391 2 352 . 1 1 55 55 GLU HB3 H 1 2.331 0.020 . 2 . . . A 763 GLU HB3 . 18391 2 353 . 1 1 55 55 GLU HG2 H 1 2.306 0.020 . 2 . . . A 763 GLU HG2 . 18391 2 354 . 1 1 55 55 GLU HG3 H 1 2.524 0.020 . 2 . . . A 763 GLU HG3 . 18391 2 355 . 1 1 55 55 GLU N N 15 118.685 0.3 . 1 . . . A 763 GLU N . 18391 2 356 . 1 1 56 56 GLU H H 1 7.874 0.020 . 1 . . . A 764 GLU H . 18391 2 357 . 1 1 56 56 GLU HA H 1 3.983 0.020 . 1 . . . A 764 GLU HA . 18391 2 358 . 1 1 56 56 GLU HB2 H 1 2.048 0.020 . 2 . . . A 764 GLU HB2 . 18391 2 359 . 1 1 56 56 GLU HB3 H 1 2.188 0.020 . 2 . . . A 764 GLU HB3 . 18391 2 360 . 1 1 56 56 GLU HG2 H 1 1.878 0.020 . 2 . . . A 764 GLU HG2 . 18391 2 361 . 1 1 56 56 GLU HG3 H 1 2.326 0.020 . 2 . . . A 764 GLU HG3 . 18391 2 362 . 1 1 56 56 GLU N N 15 120.594 0.3 . 1 . . . A 764 GLU N . 18391 2 363 . 1 1 57 57 HIS H H 1 7.447 0.020 . 1 . . . A 765 HIS H . 18391 2 364 . 1 1 57 57 HIS HA H 1 4.545 0.020 . 1 . . . A 765 HIS HA . 18391 2 365 . 1 1 57 57 HIS HB2 H 1 2.699 0.020 . 2 . . . A 765 HIS HB2 . 18391 2 366 . 1 1 57 57 HIS HB3 H 1 3.663 0.020 . 2 . . . A 765 HIS HB3 . 18391 2 367 . 1 1 57 57 HIS HD2 H 1 7.059 0.020 . 1 . . . A 765 HIS HD2 . 18391 2 368 . 1 1 57 57 HIS N N 15 114.723 0.3 . 1 . . . A 765 HIS N . 18391 2 369 . 1 1 58 58 GLY H H 1 7.968 0.020 . 1 . . . A 766 GLY H . 18391 2 370 . 1 1 58 58 GLY HA2 H 1 4.053 0.020 . 1 . . . A 766 GLY HA2 . 18391 2 371 . 1 1 58 58 GLY HA3 H 1 4.053 0.020 . 1 . . . A 766 GLY HA3 . 18391 2 372 . 1 1 58 58 GLY N N 15 109.402 0.3 . 1 . . . A 766 GLY N . 18391 2 373 . 1 1 59 59 LEU H H 1 8.116 0.020 . 1 . . . A 767 LEU H . 18391 2 374 . 1 1 59 59 LEU HA H 1 4.660 0.020 . 1 . . . A 767 LEU HA . 18391 2 375 . 1 1 59 59 LEU HB2 H 1 1.642 0.020 . 2 . . . A 767 LEU HB2 . 18391 2 376 . 1 1 59 59 LEU HB3 H 1 1.815 0.020 . 2 . . . A 767 LEU HB3 . 18391 2 377 . 1 1 59 59 LEU HG H 1 1.734 0.020 . 1 . . . A 767 LEU HG . 18391 2 378 . 1 1 59 59 LEU HD11 H 1 0.994 0.020 . 1 . . . A 767 LEU HD11 . 18391 2 379 . 1 1 59 59 LEU HD12 H 1 0.994 0.020 . 1 . . . A 767 LEU HD12 . 18391 2 380 . 1 1 59 59 LEU HD13 H 1 0.994 0.020 . 1 . . . A 767 LEU HD13 . 18391 2 381 . 1 1 59 59 LEU HD21 H 1 0.994 0.020 . 1 . . . A 767 LEU HD21 . 18391 2 382 . 1 1 59 59 LEU HD22 H 1 0.994 0.020 . 1 . . . A 767 LEU HD22 . 18391 2 383 . 1 1 59 59 LEU HD23 H 1 0.994 0.020 . 1 . . . A 767 LEU HD23 . 18391 2 384 . 1 1 59 59 LEU N N 15 119.842 0.3 . 1 . . . A 767 LEU N . 18391 2 385 . 1 1 60 60 ARG H H 1 8.761 0.020 . 1 . . . A 768 ARG H . 18391 2 386 . 1 1 60 60 ARG HA H 1 4.457 0.020 . 1 . . . A 768 ARG HA . 18391 2 387 . 1 1 60 60 ARG HB2 H 1 1.743 0.020 . 2 . . . A 768 ARG HB2 . 18391 2 388 . 1 1 60 60 ARG HB3 H 1 1.937 0.020 . 2 . . . A 768 ARG HB3 . 18391 2 389 . 1 1 60 60 ARG HG2 H 1 1.612 0.020 . 2 . . . A 768 ARG HG2 . 18391 2 390 . 1 1 60 60 ARG HG3 H 1 1.750 0.020 . 2 . . . A 768 ARG HG3 . 18391 2 391 . 1 1 60 60 ARG HD2 H 1 3.048 0.020 . 2 . . . A 768 ARG HD2 . 18391 2 392 . 1 1 60 60 ARG HD3 H 1 3.186 0.020 . 2 . . . A 768 ARG HD3 . 18391 2 393 . 1 1 60 60 ARG N N 15 120.778 0.3 . 1 . . . A 768 ARG N . 18391 2 394 . 1 1 61 61 HIS H H 1 8.396 0.020 . 1 . . . A 769 HIS H . 18391 2 395 . 1 1 61 61 HIS HA H 1 5.172 0.020 . 1 . . . A 769 HIS HA . 18391 2 396 . 1 1 61 61 HIS HB2 H 1 2.498 0.020 . 2 . . . A 769 HIS HB2 . 18391 2 397 . 1 1 61 61 HIS HB3 H 1 2.780 0.020 . 2 . . . A 769 HIS HB3 . 18391 2 398 . 1 1 61 61 HIS HD2 H 1 7.618 0.020 . 1 . . . A 769 HIS HD2 . 18391 2 399 . 1 1 61 61 HIS HE1 H 1 8.670 0.020 . 1 . . . A 769 HIS HE1 . 18391 2 400 . 1 1 61 61 HIS N N 15 119.445 0.3 . 1 . . . A 769 HIS N . 18391 2 401 . 1 1 61 61 HIS ND1 N 15 219.040 0.3 . 1 . . . A 769 HIS ND1 . 18391 2 402 . 1 1 61 61 HIS NE2 N 15 170.500 0.3 . 1 . . . A 769 HIS NE2 . 18391 2 403 . 1 1 62 62 ASP H H 1 8.194 0.020 . 1 . . . A 770 ASP H . 18391 2 404 . 1 1 62 62 ASP HA H 1 4.982 0.020 . 1 . . . A 770 ASP HA . 18391 2 405 . 1 1 62 62 ASP HB2 H 1 2.366 0.020 . 2 . . . A 770 ASP HB2 . 18391 2 406 . 1 1 62 62 ASP HB3 H 1 2.527 0.020 . 2 . . . A 770 ASP HB3 . 18391 2 407 . 1 1 62 62 ASP N N 15 120.208 0.3 . 1 . . . A 770 ASP N . 18391 2 408 . 1 1 63 63 SER H H 1 9.533 0.020 . 1 . . . A 771 SER H . 18391 2 409 . 1 1 63 63 SER HA H 1 5.296 0.020 . 1 . . . A 771 SER HA . 18391 2 410 . 1 1 63 63 SER HB2 H 1 3.283 0.020 . 2 . . . A 771 SER HB2 . 18391 2 411 . 1 1 63 63 SER HB3 H 1 3.839 0.020 . 2 . . . A 771 SER HB3 . 18391 2 412 . 1 1 63 63 SER N N 15 124.502 0.3 . 1 . . . A 771 SER N . 18391 2 413 . 1 1 64 64 SER H H 1 8.284 0.020 . 1 . . . A 772 SER H . 18391 2 414 . 1 1 64 64 SER HA H 1 4.528 0.020 . 1 . . . A 772 SER HA . 18391 2 415 . 1 1 64 64 SER HB2 H 1 3.313 0.020 . 2 . . . A 772 SER HB2 . 18391 2 416 . 1 1 64 64 SER HB3 H 1 3.417 0.020 . 2 . . . A 772 SER HB3 . 18391 2 417 . 1 1 64 64 SER N N 15 116.354 0.3 . 1 . . . A 772 SER N . 18391 2 418 . 1 1 65 65 GLY H H 1 8.303 0.020 . 1 . . . A 773 GLY H . 18391 2 419 . 1 1 65 65 GLY HA2 H 1 3.722 0.020 . 2 . . . A 773 GLY HA2 . 18391 2 420 . 1 1 65 65 GLY HA3 H 1 4.400 0.020 . 2 . . . A 773 GLY HA3 . 18391 2 421 . 1 1 65 65 GLY N N 15 109.337 0.3 . 1 . . . A 773 GLY N . 18391 2 422 . 1 1 66 66 GLU H H 1 8.158 0.020 . 1 . . . A 774 GLU H . 18391 2 423 . 1 1 66 66 GLU HA H 1 4.797 0.020 . 1 . . . A 774 GLU HA . 18391 2 424 . 1 1 66 66 GLU HB2 H 1 1.840 0.020 . 2 . . . A 774 GLU HB2 . 18391 2 425 . 1 1 66 66 GLU HB3 H 1 1.990 0.020 . 2 . . . A 774 GLU HB3 . 18391 2 426 . 1 1 66 66 GLU HG2 H 1 2.187 0.020 . 1 . . . A 774 GLU HG2 . 18391 2 427 . 1 1 66 66 GLU HG3 H 1 2.187 0.020 . 1 . . . A 774 GLU HG3 . 18391 2 428 . 1 1 66 66 GLU N N 15 116.207 0.3 . 1 . . . A 774 GLU N . 18391 2 429 . 1 1 67 67 GLY H H 1 9.062 0.020 . 1 . . . A 775 GLY H . 18391 2 430 . 1 1 67 67 GLY HA2 H 1 3.766 0.020 . 2 . . . A 775 GLY HA2 . 18391 2 431 . 1 1 67 67 GLY HA3 H 1 3.930 0.020 . 2 . . . A 775 GLY HA3 . 18391 2 432 . 1 1 67 67 GLY N N 15 112.520 0.3 . 1 . . . A 775 GLY N . 18391 2 433 . 1 1 69 69 ARG H H 1 7.914 0.020 . 1 . . . A 777 ARG H . 18391 2 434 . 1 1 69 69 ARG HA H 1 4.409 0.020 . 1 . . . A 777 ARG HA . 18391 2 435 . 1 1 69 69 ARG HB2 H 1 1.987 0.020 . 2 . . . A 777 ARG HB2 . 18391 2 436 . 1 1 69 69 ARG HB3 H 1 2.151 0.020 . 2 . . . A 777 ARG HB3 . 18391 2 437 . 1 1 69 69 ARG HG2 H 1 1.625 0.020 . 2 . . . A 777 ARG HG2 . 18391 2 438 . 1 1 69 69 ARG HG3 H 1 1.718 0.020 . 2 . . . A 777 ARG HG3 . 18391 2 439 . 1 1 69 69 ARG HD2 H 1 3.247 0.020 . 1 . . . A 777 ARG HD2 . 18391 2 440 . 1 1 69 69 ARG HD3 H 1 3.247 0.020 . 1 . . . A 777 ARG HD3 . 18391 2 441 . 1 1 69 69 ARG N N 15 115.970 0.3 . 1 . . . A 777 ARG N . 18391 2 442 . 1 1 70 70 ARG H H 1 7.118 0.020 . 1 . . . A 778 ARG H . 18391 2 443 . 1 1 70 70 ARG HA H 1 4.788 0.020 . 1 . . . A 778 ARG HA . 18391 2 444 . 1 1 70 70 ARG HB2 H 1 1.015 0.020 . 2 . . . A 778 ARG HB2 . 18391 2 445 . 1 1 70 70 ARG HB3 H 1 1.664 0.020 . 2 . . . A 778 ARG HB3 . 18391 2 446 . 1 1 70 70 ARG HG2 H 1 0.830 0.020 . 2 . . . A 778 ARG HG2 . 18391 2 447 . 1 1 70 70 ARG HG3 H 1 1.315 0.020 . 2 . . . A 778 ARG HG3 . 18391 2 448 . 1 1 70 70 ARG HD2 H 1 2.952 0.020 . 2 . . . A 778 ARG HD2 . 18391 2 449 . 1 1 70 70 ARG HD3 H 1 3.139 0.020 . 2 . . . A 778 ARG HD3 . 18391 2 450 . 1 1 70 70 ARG HE H 1 9.392 0.020 . 1 . . . A 778 ARG HE . 18391 2 451 . 1 1 70 70 ARG N N 15 123.436 0.3 . 1 . . . A 778 ARG N . 18391 2 452 . 1 1 70 70 ARG NE N 15 87.260 0.3 . 1 . . . A 778 ARG NE . 18391 2 453 . 1 1 71 71 PHE H H 1 8.884 0.020 . 1 . . . A 779 PHE H . 18391 2 454 . 1 1 71 71 PHE HA H 1 5.100 0.020 . 1 . . . A 779 PHE HA . 18391 2 455 . 1 1 71 71 PHE HB2 H 1 2.604 0.020 . 2 . . . A 779 PHE HB2 . 18391 2 456 . 1 1 71 71 PHE HB3 H 1 3.379 0.020 . 2 . . . A 779 PHE HB3 . 18391 2 457 . 1 1 71 71 PHE HD1 H 1 7.392 0.020 . 1 . . . A 779 PHE HD1 . 18391 2 458 . 1 1 71 71 PHE HD2 H 1 7.392 0.020 . 1 . . . A 779 PHE HD2 . 18391 2 459 . 1 1 71 71 PHE HE1 H 1 7.149 0.020 . 1 . . . A 779 PHE HE1 . 18391 2 460 . 1 1 71 71 PHE HE2 H 1 7.149 0.020 . 1 . . . A 779 PHE HE2 . 18391 2 461 . 1 1 71 71 PHE N N 15 122.520 0.3 . 1 . . . A 779 PHE N . 18391 2 462 . 1 1 72 72 ILE H H 1 8.865 0.020 . 1 . . . A 780 ILE H . 18391 2 463 . 1 1 72 72 ILE HA H 1 4.734 0.020 . 1 . . . A 780 ILE HA . 18391 2 464 . 1 1 72 72 ILE HB H 1 1.167 0.020 . 1 . . . A 780 ILE HB . 18391 2 465 . 1 1 72 72 ILE HG12 H 1 0.322 0.020 . 2 . . . A 780 ILE HG12 . 18391 2 466 . 1 1 72 72 ILE HG13 H 1 1.050 0.020 . 2 . . . A 780 ILE HG13 . 18391 2 467 . 1 1 72 72 ILE HG21 H 1 0.512 0.020 . 1 . . . A 780 ILE HG21 . 18391 2 468 . 1 1 72 72 ILE HG22 H 1 0.512 0.020 . 1 . . . A 780 ILE HG22 . 18391 2 469 . 1 1 72 72 ILE HG23 H 1 0.512 0.020 . 1 . . . A 780 ILE HG23 . 18391 2 470 . 1 1 72 72 ILE HD11 H 1 -0.493 0.020 . 1 . . . A 780 ILE HD11 . 18391 2 471 . 1 1 72 72 ILE HD12 H 1 -0.493 0.020 . 1 . . . A 780 ILE HD12 . 18391 2 472 . 1 1 72 72 ILE HD13 H 1 -0.493 0.020 . 1 . . . A 780 ILE HD13 . 18391 2 473 . 1 1 72 72 ILE N N 15 122.526 0.3 . 1 . . . A 780 ILE N . 18391 2 474 . 1 1 73 73 THR H H 1 8.182 0.020 . 1 . . . A 781 THR H . 18391 2 475 . 1 1 73 73 THR HA H 1 5.129 0.020 . 1 . . . A 781 THR HA . 18391 2 476 . 1 1 73 73 THR HB H 1 3.842 0.020 . 1 . . . A 781 THR HB . 18391 2 477 . 1 1 73 73 THR HG21 H 1 1.020 0.020 . 1 . . . A 781 THR HG21 . 18391 2 478 . 1 1 73 73 THR HG22 H 1 1.020 0.020 . 1 . . . A 781 THR HG22 . 18391 2 479 . 1 1 73 73 THR HG23 H 1 1.020 0.020 . 1 . . . A 781 THR HG23 . 18391 2 480 . 1 1 73 73 THR N N 15 121.806 0.3 . 1 . . . A 781 THR N . 18391 2 481 . 1 1 74 74 VAL H H 1 9.160 0.020 . 1 . . . A 782 VAL H . 18391 2 482 . 1 1 74 74 VAL HA H 1 5.297 0.020 . 1 . . . A 782 VAL HA . 18391 2 483 . 1 1 74 74 VAL HB H 1 1.938 0.020 . 1 . . . A 782 VAL HB . 18391 2 484 . 1 1 74 74 VAL HG11 H 1 0.751 0.020 . 2 . . . A 782 VAL HG11 . 18391 2 485 . 1 1 74 74 VAL HG12 H 1 0.751 0.020 . 2 . . . A 782 VAL HG12 . 18391 2 486 . 1 1 74 74 VAL HG13 H 1 0.751 0.020 . 2 . . . A 782 VAL HG13 . 18391 2 487 . 1 1 74 74 VAL HG21 H 1 0.922 0.020 . 2 . . . A 782 VAL HG21 . 18391 2 488 . 1 1 74 74 VAL HG22 H 1 0.922 0.020 . 2 . . . A 782 VAL HG22 . 18391 2 489 . 1 1 74 74 VAL HG23 H 1 0.922 0.020 . 2 . . . A 782 VAL HG23 . 18391 2 490 . 1 1 74 74 VAL N N 15 126.753 0.3 . 1 . . . A 782 VAL N . 18391 2 491 . 1 1 75 75 SER H H 1 8.742 0.020 . 1 . . . A 783 SER H . 18391 2 492 . 1 1 75 75 SER HA H 1 5.509 0.020 . 1 . . . A 783 SER HA . 18391 2 493 . 1 1 75 75 SER HB2 H 1 3.838 0.020 . 2 . . . A 783 SER HB2 . 18391 2 494 . 1 1 75 75 SER HB3 H 1 3.934 0.020 . 2 . . . A 783 SER HB3 . 18391 2 495 . 1 1 75 75 SER N N 15 117.286 0.3 . 1 . . . A 783 SER N . 18391 2 496 . 1 1 76 76 LYS H H 1 8.271 0.020 . 1 . . . A 784 LYS H . 18391 2 497 . 1 1 76 76 LYS HA H 1 4.528 0.020 . 1 . . . A 784 LYS HA . 18391 2 498 . 1 1 76 76 LYS HB2 H 1 1.760 0.020 . 2 . . . A 784 LYS HB2 . 18391 2 499 . 1 1 76 76 LYS HB3 H 1 1.990 0.020 . 2 . . . A 784 LYS HB3 . 18391 2 500 . 1 1 76 76 LYS HG2 H 1 1.282 0.020 . 2 . . . A 784 LYS HG2 . 18391 2 501 . 1 1 76 76 LYS HG3 H 1 1.348 0.020 . 2 . . . A 784 LYS HG3 . 18391 2 502 . 1 1 76 76 LYS N N 15 121.757 0.3 . 1 . . . A 784 LYS N . 18391 2 503 . 1 1 77 77 ARG H H 1 9.001 0.020 . 1 . . . A 785 ARG H . 18391 2 504 . 1 1 77 77 ARG HA H 1 4.312 0.020 . 1 . . . A 785 ARG HA . 18391 2 505 . 1 1 77 77 ARG HB2 H 1 1.760 0.020 . 2 . . . A 785 ARG HB2 . 18391 2 506 . 1 1 77 77 ARG HB3 H 1 1.865 0.020 . 2 . . . A 785 ARG HB3 . 18391 2 507 . 1 1 77 77 ARG HG2 H 1 1.622 0.020 . 1 . . . A 785 ARG HG2 . 18391 2 508 . 1 1 77 77 ARG HG3 H 1 1.622 0.020 . 1 . . . A 785 ARG HG3 . 18391 2 509 . 1 1 77 77 ARG N N 15 121.386 0.3 . 1 . . . A 785 ARG N . 18391 2 510 . 1 1 78 78 ALA H H 1 8.461 0.020 . 1 . . . A 786 ALA H . 18391 2 511 . 1 1 78 78 ALA HA H 1 4.320 0.020 . 1 . . . A 786 ALA HA . 18391 2 512 . 1 1 78 78 ALA HB1 H 1 1.390 0.020 . 1 . . . A 786 ALA HB1 . 18391 2 513 . 1 1 78 78 ALA HB2 H 1 1.390 0.020 . 1 . . . A 786 ALA HB2 . 18391 2 514 . 1 1 78 78 ALA HB3 H 1 1.390 0.020 . 1 . . . A 786 ALA HB3 . 18391 2 515 . 1 1 78 78 ALA N N 15 125.601 0.3 . 1 . . . A 786 ALA N . 18391 2 stop_ save_ ################################### # 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 18391 _Assigned_chem_shift_list.ID 3 _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 0.02 _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 "Assignments for 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" _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 '2D 1H-1H TOCSY' . . . 18391 3 3 '2D 1H-1H NOESY' . . . 18391 3 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 . 2 2 1 1 DGP H1' H 1 6.280 0.020 . 1 . . . A 801 DGP H1' . 18391 3 2 . 2 2 1 1 DGP H2' H 1 2.443 0.020 . 1 . . . A 801 DGP H2' . 18391 3 3 . 2 2 1 1 DGP H2'' H 1 2.765 0.020 . 1 . . . A 801 DGP H2'' . 18391 3 4 . 2 2 1 1 DGP H3' H 1 4.664 0.020 . 1 . . . A 801 DGP H3' . 18391 3 5 . 2 2 1 1 DGP H4' H 1 4.205 0.020 . 1 . . . A 801 DGP H4' . 18391 3 6 . 2 2 1 1 DGP H5' H 1 3.909 0.020 . 1 . . . A 801 DGP H5' . 18391 3 7 . 2 2 1 1 DGP H5'' H 1 3.909 0.020 . 1 . . . A 801 DGP H5'' . 18391 3 8 . 2 2 1 1 DGP H8 H 1 8.105 0.020 . 1 . . . A 801 DGP H8 . 18391 3 9 . 2 2 1 1 DGP HN21 H 1 6.310 0.020 . 1 . . . A 801 DGP HN21 . 18391 3 10 . 2 2 1 1 DGP HN22 H 1 6.310 0.020 . 1 . . . A 801 DGP HN22 . 18391 3 stop_ save_