################################### # 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 16915 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 16915 1 2 '2D 1H-1H NOESY' . . . 16915 1 3 '2D 1H-1H NOESY' . . . 16915 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 16915 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 GLY HA2 H 1 3.943 0.002 . 2 . . . . 1 GLY HA . 16915 1 2 . 1 1 1 1 GLY HA3 H 1 3.943 0.002 . 2 . . . . 1 GLY HA . 16915 1 3 . 1 1 2 2 ILE H H 1 8.399 0.002 . 1 . . . . 2 ILE H . 16915 1 4 . 1 1 2 2 ILE HB H 1 1.326 0.001 . 1 . . . . 2 ILE HB . 16915 1 5 . 1 1 2 2 ILE HD11 H 1 0.674 0.002 . 1 . . . . 2 ILE QD1 . 16915 1 6 . 1 1 2 2 ILE HD12 H 1 0.674 0.002 . 1 . . . . 2 ILE QD1 . 16915 1 7 . 1 1 2 2 ILE HD13 H 1 0.674 0.002 . 1 . . . . 2 ILE QD1 . 16915 1 8 . 1 1 2 2 ILE HG12 H 1 1.193 0.002 . 2 . . . . 2 ILE HG12 . 16915 1 9 . 1 1 2 2 ILE HG21 H 1 0.760 0.002 . 1 . . . . 2 ILE QG2 . 16915 1 10 . 1 1 2 2 ILE HG22 H 1 0.760 0.002 . 1 . . . . 2 ILE QG2 . 16915 1 11 . 1 1 2 2 ILE HG23 H 1 0.760 0.002 . 1 . . . . 2 ILE QG2 . 16915 1 12 . 1 1 3 3 VAL H H 1 7.935 0.001 . 1 . . . . 3 VAL H . 16915 1 13 . 1 1 3 3 VAL HA H 1 3.665 0.002 . 1 . . . . 3 VAL HA . 16915 1 14 . 1 1 3 3 VAL HB H 1 1.968 0.002 . 1 . . . . 3 VAL HB . 16915 1 15 . 1 1 3 3 VAL HG11 H 1 0.934 0.003 . 1 . . . . 3 VAL QG1 . 16915 1 16 . 1 1 3 3 VAL HG12 H 1 0.934 0.003 . 1 . . . . 3 VAL QG1 . 16915 1 17 . 1 1 3 3 VAL HG13 H 1 0.934 0.003 . 1 . . . . 3 VAL QG1 . 16915 1 18 . 1 1 3 3 VAL HG21 H 1 0.884 0.002 . 1 . . . . 3 VAL QG2 . 16915 1 19 . 1 1 3 3 VAL HG22 H 1 0.884 0.002 . 1 . . . . 3 VAL QG2 . 16915 1 20 . 1 1 3 3 VAL HG23 H 1 0.884 0.002 . 1 . . . . 3 VAL QG2 . 16915 1 21 . 1 1 4 4 GLU H H 1 8.021 0.002 . 1 . . . . 4 GLU H . 16915 1 22 . 1 1 4 4 GLU HA H 1 4.210 0.003 . 1 . . . . 4 GLU HA . 16915 1 23 . 1 1 4 4 GLU HB2 H 1 2.077 0.001 . 2 . . . . 4 GLU HB2 . 16915 1 24 . 1 1 4 4 GLU HB3 H 1 2.061 0.001 . 2 . . . . 4 GLU HB3 . 16915 1 25 . 1 1 4 4 GLU HG2 H 1 2.468 0.003 . 2 . . . . 4 GLU HG2 . 16915 1 26 . 1 1 5 5 GLN H H 1 8.226 0.002 . 1 . . . . 5 GLN H . 16915 1 27 . 1 1 5 5 GLN HA H 1 4.017 0.001 . 1 . . . . 5 GLN HA . 16915 1 28 . 1 1 5 5 GLN HB2 H 1 2.079 0.000 . 2 . . . . 5 GLN HB2 . 16915 1 29 . 1 1 5 5 GLN HB3 H 1 2.405 0.734 . 2 . . . . 5 GLN HB3 . 16915 1 30 . 1 1 5 5 GLN HE21 H 1 7.461 0.001 . 2 . . . . 5 GLN HE21 . 16915 1 31 . 1 1 5 5 GLN HE22 H 1 6.764 0.004 . 2 . . . . 5 GLN HE22 . 16915 1 32 . 1 1 5 5 GLN HG2 H 1 2.425 0.001 . 2 . . . . 5 GLN HG2 . 16915 1 33 . 1 1 5 5 GLN HG3 H 1 2.354 0.001 . 2 . . . . 5 GLN HG3 . 16915 1 34 . 1 1 6 6 CYS H H 1 8.156 0.002 . 1 . . . . 6 CYS H . 16915 1 35 . 1 1 6 6 CYS HA H 1 4.830 0.001 . 1 . . . . 6 CYS HA . 16915 1 36 . 1 1 6 6 CYS HB2 H 1 3.271 0.001 . 2 . . . . 6 CYS HB2 . 16915 1 37 . 1 1 6 6 CYS HB3 H 1 2.861 0.001 . 2 . . . . 6 CYS HB3 . 16915 1 38 . 1 1 7 7 CYS H H 1 8.251 0.002 . 1 . . . . 7 CYS H . 16915 1 39 . 1 1 7 7 CYS HA H 1 4.783 0.001 . 1 . . . . 7 CYS HA . 16915 1 40 . 1 1 7 7 CYS HB2 H 1 3.685 0.002 . 2 . . . . 7 CYS HB2 . 16915 1 41 . 1 1 7 7 CYS HB3 H 1 3.282 0.001 . 2 . . . . 7 CYS HB3 . 16915 1 42 . 1 1 8 8 THR H H 1 8.032 0.001 . 1 . . . . 8 THR H . 16915 1 43 . 1 1 8 8 THR HA H 1 4.055 0.003 . 1 . . . . 8 THR HA . 16915 1 44 . 1 1 8 8 THR HB H 1 4.361 0.003 . 1 . . . . 8 THR HB . 16915 1 45 . 1 1 8 8 THR HG21 H 1 1.213 0.001 . 1 . . . . 8 THR QG2 . 16915 1 46 . 1 1 8 8 THR HG22 H 1 1.213 0.001 . 1 . . . . 8 THR QG2 . 16915 1 47 . 1 1 8 8 THR HG23 H 1 1.213 0.001 . 1 . . . . 8 THR QG2 . 16915 1 48 . 1 1 9 9 SER H H 1 7.430 0.001 . 1 . . . . 9 SER H . 16915 1 49 . 1 1 9 9 SER HA H 1 4.690 0.002 . 1 . . . . 9 SER HA . 16915 1 50 . 1 1 9 9 SER HB2 H 1 3.991 0.002 . 2 . . . . 9 SER HB2 . 16915 1 51 . 1 1 9 9 SER HB3 H 1 3.840 0.002 . 2 . . . . 9 SER HB3 . 16915 1 52 . 1 1 10 10 ILE H H 1 7.775 0.002 . 1 . . . . 10 ILE H . 16915 1 53 . 1 1 10 10 ILE HA H 1 4.398 0.002 . 1 . . . . 10 ILE HA . 16915 1 54 . 1 1 10 10 ILE HB H 1 1.567 0.002 . 1 . . . . 10 ILE HB . 16915 1 55 . 1 1 10 10 ILE HD11 H 1 0.582 0.001 . 1 . . . . 10 ILE QD1 . 16915 1 56 . 1 1 10 10 ILE HD12 H 1 0.582 0.001 . 1 . . . . 10 ILE QD1 . 16915 1 57 . 1 1 10 10 ILE HD13 H 1 0.582 0.001 . 1 . . . . 10 ILE QD1 . 16915 1 58 . 1 1 10 10 ILE HG12 H 1 1.167 0.000 . 2 . . . . 10 ILE HG12 . 16915 1 59 . 1 1 10 10 ILE HG21 H 1 0.666 0.001 . 1 . . . . 10 ILE QG2 . 16915 1 60 . 1 1 10 10 ILE HG22 H 1 0.666 0.001 . 1 . . . . 10 ILE QG2 . 16915 1 61 . 1 1 10 10 ILE HG23 H 1 0.666 0.001 . 1 . . . . 10 ILE QG2 . 16915 1 62 . 1 1 11 11 CYS H H 1 9.379 0.001 . 1 . . . . 11 CYS H . 16915 1 63 . 1 1 11 11 CYS HA H 1 5.010 0.003 . 1 . . . . 11 CYS HA . 16915 1 64 . 1 1 11 11 CYS HB2 H 1 3.253 0.001 . 2 . . . . 11 CYS HB2 . 16915 1 65 . 1 1 11 11 CYS HB3 H 1 3.089 0.001 . 2 . . . . 11 CYS HB3 . 16915 1 66 . 1 1 12 12 SER H H 1 8.567 0.001 . 1 . . . . 12 SER H . 16915 1 67 . 1 1 12 12 SER HA H 1 4.575 0.001 . 1 . . . . 12 SER HA . 16915 1 68 . 1 1 12 12 SER HB2 H 1 4.280 0.001 . 2 . . . . 12 SER HB2 . 16915 1 69 . 1 1 12 12 SER HB3 H 1 3.950 0.001 . 2 . . . . 12 SER HB3 . 16915 1 70 . 1 1 13 13 LEU H H 1 8.622 0.001 . 1 . . . . 13 LEU H . 16915 1 71 . 1 1 13 13 LEU HA H 1 3.960 0.001 . 1 . . . . 13 LEU HA . 16915 1 72 . 1 1 13 13 LEU HB2 H 1 1.531 0.002 . 2 . . . . 13 LEU HB2 . 16915 1 73 . 1 1 13 13 LEU HB3 H 1 1.456 0.002 . 2 . . . . 13 LEU HB3 . 16915 1 74 . 1 1 13 13 LEU HD11 H 1 0.887 0.001 . 1 . . . . 13 LEU QD1 . 16915 1 75 . 1 1 13 13 LEU HD12 H 1 0.887 0.001 . 1 . . . . 13 LEU QD1 . 16915 1 76 . 1 1 13 13 LEU HD13 H 1 0.887 0.001 . 1 . . . . 13 LEU QD1 . 16915 1 77 . 1 1 13 13 LEU HD21 H 1 0.812 0.001 . 1 . . . . 13 LEU QD2 . 16915 1 78 . 1 1 13 13 LEU HD22 H 1 0.812 0.001 . 1 . . . . 13 LEU QD2 . 16915 1 79 . 1 1 13 13 LEU HD23 H 1 0.812 0.001 . 1 . . . . 13 LEU QD2 . 16915 1 80 . 1 1 14 14 TYR H H 1 7.499 0.001 . 1 . . . . 14 TYR H . 16915 1 81 . 1 1 14 14 TYR HA H 1 4.135 0.002 . 1 . . . . 14 TYR HA . 16915 1 82 . 1 1 14 14 TYR HB2 H 1 2.960 0.001 . 2 . . . . 14 TYR HB2 . 16915 1 83 . 1 1 14 14 TYR HD1 H 1 7.064 0.002 . 3 . . . . 14 TYR QD . 16915 1 84 . 1 1 14 14 TYR HD2 H 1 7.064 0.002 . 3 . . . . 14 TYR QD . 16915 1 85 . 1 1 14 14 TYR HE1 H 1 6.829 0.002 . 3 . . . . 14 TYR QE . 16915 1 86 . 1 1 14 14 TYR HE2 H 1 6.829 0.002 . 3 . . . . 14 TYR QE . 16915 1 87 . 1 1 15 15 GLN H H 1 7.542 0.002 . 1 . . . . 15 GLN H . 16915 1 88 . 1 1 15 15 GLN HA H 1 3.956 0.002 . 1 . . . . 15 GLN HA . 16915 1 89 . 1 1 15 15 GLN HB2 H 1 2.352 0.003 . 2 . . . . 15 GLN HB2 . 16915 1 90 . 1 1 15 15 GLN HB3 H 1 1.994 0.003 . 2 . . . . 15 GLN HB3 . 16915 1 91 . 1 1 15 15 GLN HE21 H 1 7.392 0.001 . 2 . . . . 15 GLN HE21 . 16915 1 92 . 1 1 15 15 GLN HE22 H 1 6.866 0.001 . 2 . . . . 15 GLN HE22 . 16915 1 93 . 1 1 15 15 GLN HG2 H 1 2.415 0.006 . 2 . . . . 15 GLN HG2 . 16915 1 94 . 1 1 15 15 GLN HG3 H 1 2.357 0.001 . 2 . . . . 15 GLN HG3 . 16915 1 95 . 1 1 16 16 LEU H H 1 8.000 0.002 . 1 . . . . 16 LEU H . 16915 1 96 . 1 1 16 16 LEU HA H 1 4.120 0.002 . 1 . . . . 16 LEU HA . 16915 1 97 . 1 1 16 16 LEU HB2 H 1 1.876 0.002 . 2 . . . . 16 LEU HB2 . 16915 1 98 . 1 1 16 16 LEU HB3 H 1 1.609 0.003 . 2 . . . . 16 LEU HB3 . 16915 1 99 . 1 1 16 16 LEU HD11 H 1 0.821 0.003 . 1 . . . . 16 LEU QD1 . 16915 1 100 . 1 1 16 16 LEU HD12 H 1 0.821 0.003 . 1 . . . . 16 LEU QD1 . 16915 1 101 . 1 1 16 16 LEU HD13 H 1 0.821 0.003 . 1 . . . . 16 LEU QD1 . 16915 1 102 . 1 1 16 16 LEU HD21 H 1 0.780 0.002 . 1 . . . . 16 LEU QD2 . 16915 1 103 . 1 1 16 16 LEU HD22 H 1 0.780 0.002 . 1 . . . . 16 LEU QD2 . 16915 1 104 . 1 1 16 16 LEU HD23 H 1 0.780 0.002 . 1 . . . . 16 LEU QD2 . 16915 1 105 . 1 1 16 16 LEU HG H 1 1.718 0.001 . 1 . . . . 16 LEU HG . 16915 1 106 . 1 1 17 17 GLU H H 1 8.091 0.002 . 1 . . . . 17 GLU H . 16915 1 107 . 1 1 17 17 GLU HA H 1 4.087 0.002 . 1 . . . . 17 GLU HA . 16915 1 108 . 1 1 17 17 GLU HB2 H 1 2.074 0.001 . 2 . . . . 17 GLU HB2 . 16915 1 109 . 1 1 17 17 GLU HB3 H 1 1.986 0.000 . 2 . . . . 17 GLU HB3 . 16915 1 110 . 1 1 17 17 GLU HG2 H 1 2.535 0.004 . 2 . . . . 17 GLU HG2 . 16915 1 111 . 1 1 17 17 GLU HG3 H 1 2.328 0.003 . 2 . . . . 17 GLU HG3 . 16915 1 112 . 1 1 18 18 ASN H H 1 7.495 0.002 . 1 . . . . 18 ASN H . 16915 1 113 . 1 1 18 18 ASN HA H 1 4.406 0.002 . 1 . . . . 18 ASN HA . 16915 1 114 . 1 1 18 18 ASN HB2 H 1 2.577 0.018 . 2 . . . . 18 ASN HB2 . 16915 1 115 . 1 1 18 18 ASN HB3 H 1 2.509 0.003 . 2 . . . . 18 ASN HB3 . 16915 1 116 . 1 1 18 18 ASN HD21 H 1 7.141 0.001 . 2 . . . . 18 ASN HD21 . 16915 1 117 . 1 1 18 18 ASN HD22 H 1 6.360 0.001 . 2 . . . . 18 ASN HD22 . 16915 1 118 . 1 1 19 19 TYR H H 1 7.873 0.001 . 1 . . . . 19 TYR H . 16915 1 119 . 1 1 19 19 TYR HA H 1 4.394 0.003 . 1 . . . . 19 TYR HA . 16915 1 120 . 1 1 19 19 TYR HB2 H 1 3.274 0.002 . 2 . . . . 19 TYR HB2 . 16915 1 121 . 1 1 19 19 TYR HB3 H 1 2.985 0.003 . 2 . . . . 19 TYR HB3 . 16915 1 122 . 1 1 19 19 TYR HD1 H 1 7.261 0.001 . 3 . . . . 19 TYR QD . 16915 1 123 . 1 1 19 19 TYR HD2 H 1 7.261 0.001 . 3 . . . . 19 TYR QD . 16915 1 124 . 1 1 19 19 TYR HE1 H 1 6.740 0.001 . 3 . . . . 19 TYR QE . 16915 1 125 . 1 1 19 19 TYR HE2 H 1 6.740 0.001 . 3 . . . . 19 TYR QE . 16915 1 126 . 1 1 20 20 CYS H H 1 7.553 0.002 . 1 . . . . 20 CYS H . 16915 1 127 . 1 1 20 20 CYS HA H 1 4.573 0.001 . 1 . . . . 20 CYS HA . 16915 1 128 . 1 1 20 20 CYS HB2 H 1 3.168 0.001 . 2 . . . . 20 CYS HB2 . 16915 1 129 . 1 1 20 20 CYS HB3 H 1 2.832 0.005 . 2 . . . . 20 CYS HB3 . 16915 1 130 . 1 1 21 21 ASN H H 1 7.985 0.001 . 1 . . . . 21 ASN H . 16915 1 131 . 1 1 21 21 ASN HA H 1 4.734 0.001 . 1 . . . . 21 ASN HA . 16915 1 132 . 1 1 21 21 ASN HB2 H 1 2.807 0.003 . 2 . . . . 21 ASN HB2 . 16915 1 133 . 1 1 21 21 ASN HB3 H 1 2.678 0.008 . 2 . . . . 21 ASN HB3 . 16915 1 134 . 1 1 21 21 ASN HD21 H 1 7.431 0.001 . 2 . . . . 21 ASN HD21 . 16915 1 135 . 1 1 21 21 ASN HD22 H 1 6.698 0.001 . 2 . . . . 21 ASN HD22 . 16915 1 136 . 1 1 22 22 GLY H H 1 7.891 0.003 . 1 . . . . 22 GLY H . 16915 1 137 . 1 1 22 22 GLY HA2 H 1 3.951 0.001 . 2 . . . . 22 GLY HA . 16915 1 138 . 1 1 22 22 GLY HA3 H 1 3.951 0.001 . 2 . . . . 22 GLY HA . 16915 1 139 . 2 2 1 1 PHE HA H 1 4.271 0.001 . 1 . . . . 1 PHE HA . 16915 1 140 . 2 2 1 1 PHE HB2 H 1 3.189 0.000 . 2 . . . . 1 PHE HB2 . 16915 1 141 . 2 2 1 1 PHE HB3 H 1 3.135 0.003 . 2 . . . . 1 PHE HB3 . 16915 1 142 . 2 2 1 1 PHE HD1 H 1 7.266 0.002 . 3 . . . . 1 PHE QD . 16915 1 143 . 2 2 1 1 PHE HD2 H 1 7.266 0.002 . 3 . . . . 1 PHE QD . 16915 1 144 . 2 2 1 1 PHE HE1 H 1 7.383 0.002 . 3 . . . . 1 PHE QE . 16915 1 145 . 2 2 1 1 PHE HE2 H 1 7.383 0.002 . 3 . . . . 1 PHE QE . 16915 1 146 . 2 2 2 2 VAL H H 1 8.108 0.005 . 1 . . . . 2 VAL H . 16915 1 147 . 2 2 2 2 VAL HA H 1 4.099 0.001 . 1 . . . . 2 VAL HA . 16915 1 148 . 2 2 2 2 VAL HB H 1 1.960 0.001 . 1 . . . . 2 VAL HB . 16915 1 149 . 2 2 2 2 VAL HG11 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1 150 . 2 2 2 2 VAL HG12 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1 151 . 2 2 2 2 VAL HG13 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1 152 . 2 2 2 2 VAL HG21 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1 153 . 2 2 2 2 VAL HG22 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1 154 . 2 2 2 2 VAL HG23 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1 155 . 2 2 3 3 ASN H H 1 8.272 0.002 . 1 . . . . 3 ASN H . 16915 1 156 . 2 2 3 3 ASN HA H 1 4.642 0.002 . 1 . . . . 3 ASN HA . 16915 1 157 . 2 2 3 3 ASN HB2 H 1 2.767 0.002 . 2 . . . . 3 ASN HB2 . 16915 1 158 . 2 2 3 3 ASN HB3 H 1 2.704 0.002 . 2 . . . . 3 ASN HB3 . 16915 1 159 . 2 2 3 3 ASN HD21 H 1 7.473 0.001 . 2 . . . . 3 ASN HD21 . 16915 1 160 . 2 2 3 3 ASN HD22 H 1 6.790 0.001 . 2 . . . . 3 ASN HD22 . 16915 1 161 . 2 2 4 4 GLN H H 1 8.215 0.001 . 1 . . . . 4 GLN H . 16915 1 162 . 2 2 4 4 GLN HA H 1 4.375 0.002 . 1 . . . . 4 GLN HA . 16915 1 163 . 2 2 4 4 GLN HB2 H 1 2.098 0.000 . 2 . . . . 4 GLN HB2 . 16915 1 164 . 2 2 4 4 GLN HB3 H 1 1.806 0.004 . 2 . . . . 4 GLN HB3 . 16915 1 165 . 2 2 4 4 GLN HE21 H 1 7.339 0.001 . 2 . . . . 4 GLN HE21 . 16915 1 166 . 2 2 4 4 GLN HE22 H 1 6.640 0.001 . 2 . . . . 4 GLN HE22 . 16915 1 167 . 2 2 4 4 GLN HG2 H 1 2.227 0.004 . 2 . . . . 4 GLN HG2 . 16915 1 168 . 2 2 4 4 GLN HG3 H 1 2.194 0.002 . 2 . . . . 4 GLN HG3 . 16915 1 169 . 2 2 5 5 HIS H H 1 8.399 0.002 . 1 . . . . 5 HIS H . 16915 1 170 . 2 2 5 5 HIS HA H 1 4.511 0.003 . 1 . . . . 5 HIS HA . 16915 1 171 . 2 2 5 5 HIS HB2 H 1 3.532 0.002 . 2 . . . . 5 HIS HB2 . 16915 1 172 . 2 2 5 5 HIS HB3 H 1 3.239 0.008 . 2 . . . . 5 HIS HB3 . 16915 1 173 . 2 2 5 5 HIS HD2 H 1 7.364 0.004 . 1 . . . . 5 HIS HD2 . 16915 1 174 . 2 2 5 5 HIS HE1 H 1 8.504 0.001 . 1 . . . . 5 HIS HE1 . 16915 1 175 . 2 2 6 6 LEU H H 1 8.777 0.003 . 1 . . . . 6 LEU H . 16915 1 176 . 2 2 6 6 LEU HA H 1 4.451 0.001 . 1 . . . . 6 LEU HA . 16915 1 177 . 2 2 6 6 LEU HB2 H 1 1.687 0.001 . 2 . . . . 6 LEU HB2 . 16915 1 178 . 2 2 6 6 LEU HB3 H 1 0.996 0.001 . 2 . . . . 6 LEU HB3 . 16915 1 179 . 2 2 6 6 LEU HD11 H 1 0.855 0.003 . 1 . . . . 6 LEU QD1 . 16915 1 180 . 2 2 6 6 LEU HD12 H 1 0.855 0.003 . 1 . . . . 6 LEU QD1 . 16915 1 181 . 2 2 6 6 LEU HD13 H 1 0.855 0.003 . 1 . . . . 6 LEU QD1 . 16915 1 182 . 2 2 6 6 LEU HD21 H 1 0.743 0.002 . 1 . . . . 6 LEU QD2 . 16915 1 183 . 2 2 6 6 LEU HD22 H 1 0.743 0.002 . 1 . . . . 6 LEU QD2 . 16915 1 184 . 2 2 6 6 LEU HD23 H 1 0.743 0.002 . 1 . . . . 6 LEU QD2 . 16915 1 185 . 2 2 6 6 LEU HG H 1 1.553 0.003 . 1 . . . . 6 LEU HG . 16915 1 186 . 2 2 7 7 CYS H H 1 8.179 0.002 . 1 . . . . 7 CYS H . 16915 1 187 . 2 2 7 7 CYS HA H 1 4.886 0.002 . 1 . . . . 7 CYS HA . 16915 1 188 . 2 2 7 7 CYS HB2 H 1 3.194 0.001 . 2 . . . . 7 CYS HB2 . 16915 1 189 . 2 2 7 7 CYS HB3 H 1 2.960 0.002 . 2 . . . . 7 CYS HB3 . 16915 1 190 . 2 2 8 8 GLY H H 1 8.857 0.004 . 1 . . . . 8 GLY H . 16915 1 191 . 2 2 8 8 GLY HA2 H 1 3.955 0.002 . 2 . . . . 8 GLY HA2 . 16915 1 192 . 2 2 8 8 GLY HA3 H 1 3.790 0.004 . 2 . . . . 8 GLY HA3 . 16915 1 193 . 2 2 9 9 SER H H 1 8.876 0.000 . 1 . . . . 9 SER H . 16915 1 194 . 2 2 9 9 SER HA H 1 4.038 0.092 . 1 . . . . 9 SER HA . 16915 1 195 . 2 2 9 9 SER HB2 H 1 3.850 0.002 . 2 . . . . 9 SER HB . 16915 1 196 . 2 2 9 9 SER HB3 H 1 3.850 0.002 . 2 . . . . 9 SER HB . 16915 1 197 . 2 2 10 10 HIS H H 1 7.961 0.001 . 1 . . . . 10 HIS H . 16915 1 198 . 2 2 10 10 HIS HA H 1 4.475 0.003 . 1 . . . . 10 HIS HA . 16915 1 199 . 2 2 10 10 HIS HB2 H 1 3.514 0.003 . 2 . . . . 10 HIS HB2 . 16915 1 200 . 2 2 10 10 HIS HB3 H 1 3.258 0.001 . 2 . . . . 10 HIS HB3 . 16915 1 201 . 2 2 10 10 HIS HD2 H 1 7.432 0.001 . 1 . . . . 10 HIS HD2 . 16915 1 202 . 2 2 11 11 LEU H H 1 7.106 0.002 . 1 . . . . 11 LEU H . 16915 1 203 . 2 2 11 11 LEU HA H 1 4.006 0.002 . 1 . . . . 11 LEU HA . 16915 1 204 . 2 2 11 11 LEU HB2 H 1 1.862 0.001 . 2 . . . . 11 LEU HB2 . 16915 1 205 . 2 2 11 11 LEU HB3 H 1 1.233 0.004 . 2 . . . . 11 LEU HB3 . 16915 1 206 . 2 2 11 11 LEU HD11 H 1 0.816 0.002 . 1 . . . . 11 LEU QD1 . 16915 1 207 . 2 2 11 11 LEU HD12 H 1 0.816 0.002 . 1 . . . . 11 LEU QD1 . 16915 1 208 . 2 2 11 11 LEU HD13 H 1 0.816 0.002 . 1 . . . . 11 LEU QD1 . 16915 1 209 . 2 2 11 11 LEU HD21 H 1 0.759 0.002 . 1 . . . . 11 LEU QD2 . 16915 1 210 . 2 2 11 11 LEU HD22 H 1 0.759 0.002 . 1 . . . . 11 LEU QD2 . 16915 1 211 . 2 2 11 11 LEU HD23 H 1 0.759 0.002 . 1 . . . . 11 LEU QD2 . 16915 1 212 . 2 2 11 11 LEU HG H 1 1.386 0.004 . 1 . . . . 11 LEU HG . 16915 1 213 . 2 2 12 12 VAL H H 1 7.319 0.001 . 1 . . . . 12 VAL H . 16915 1 214 . 2 2 12 12 VAL HA H 1 3.415 0.001 . 1 . . . . 12 VAL HA . 16915 1 215 . 2 2 12 12 VAL HB H 1 2.058 0.000 . 1 . . . . 12 VAL HB . 16915 1 216 . 2 2 12 12 VAL HG11 H 1 0.977 0.002 . 1 . . . . 12 VAL QG1 . 16915 1 217 . 2 2 12 12 VAL HG12 H 1 0.977 0.002 . 1 . . . . 12 VAL QG1 . 16915 1 218 . 2 2 12 12 VAL HG13 H 1 0.977 0.002 . 1 . . . . 12 VAL QG1 . 16915 1 219 . 2 2 12 12 VAL HG21 H 1 0.917 0.001 . 1 . . . . 12 VAL QG2 . 16915 1 220 . 2 2 12 12 VAL HG22 H 1 0.917 0.001 . 1 . . . . 12 VAL QG2 . 16915 1 221 . 2 2 12 12 VAL HG23 H 1 0.917 0.001 . 1 . . . . 12 VAL QG2 . 16915 1 222 . 2 2 13 13 GLU H H 1 7.954 0.001 . 1 . . . . 13 GLU H . 16915 1 223 . 2 2 13 13 GLU HA H 1 4.066 0.000 . 1 . . . . 13 GLU HA . 16915 1 224 . 2 2 13 13 GLU HB2 H 1 2.137 0.002 . 2 . . . . 13 GLU HB2 . 16915 1 225 . 2 2 13 13 GLU HB3 H 1 2.072 0.000 . 2 . . . . 13 GLU HB3 . 16915 1 226 . 2 2 13 13 GLU HG2 H 1 2.520 0.003 . 2 . . . . 13 GLU HG2 . 16915 1 227 . 2 2 14 14 ALA H H 1 7.780 0.001 . 1 . . . . 14 ALA H . 16915 1 228 . 2 2 14 14 ALA HA H 1 4.075 0.003 . 1 . . . . 14 ALA HA . 16915 1 229 . 2 2 14 14 ALA HB1 H 1 1.462 0.001 . 1 . . . . 14 ALA QB . 16915 1 230 . 2 2 14 14 ALA HB2 H 1 1.462 0.001 . 1 . . . . 14 ALA QB . 16915 1 231 . 2 2 14 14 ALA HB3 H 1 1.462 0.001 . 1 . . . . 14 ALA QB . 16915 1 232 . 2 2 15 15 LEU H H 1 8.125 0.001 . 1 . . . . 15 LEU H . 16915 1 233 . 2 2 15 15 LEU HA H 1 3.965 0.001 . 1 . . . . 15 LEU HA . 16915 1 234 . 2 2 15 15 LEU HB2 H 1 1.628 0.002 . 2 . . . . 15 LEU HB2 . 16915 1 235 . 2 2 15 15 LEU HB3 H 1 1.301 0.004 . 2 . . . . 15 LEU HB3 . 16915 1 236 . 2 2 15 15 LEU HD11 H 1 0.737 0.004 . 1 . . . . 15 LEU QD1 . 16915 1 237 . 2 2 15 15 LEU HD12 H 1 0.737 0.004 . 1 . . . . 15 LEU QD1 . 16915 1 238 . 2 2 15 15 LEU HD13 H 1 0.737 0.004 . 1 . . . . 15 LEU QD1 . 16915 1 239 . 2 2 15 15 LEU HD21 H 1 0.637 0.001 . 1 . . . . 15 LEU QD2 . 16915 1 240 . 2 2 15 15 LEU HD22 H 1 0.637 0.001 . 1 . . . . 15 LEU QD2 . 16915 1 241 . 2 2 15 15 LEU HD23 H 1 0.637 0.001 . 1 . . . . 15 LEU QD2 . 16915 1 242 . 2 2 16 16 TYR H H 1 8.173 0.001 . 1 . . . . 16 TYR H . 16915 1 243 . 2 2 16 16 TYR HA H 1 4.166 0.002 . 1 . . . . 16 TYR HA . 16915 1 244 . 2 2 16 16 TYR HB2 H 1 3.108 0.002 . 2 . . . . 16 TYR HB . 16915 1 245 . 2 2 16 16 TYR HB3 H 1 3.108 0.002 . 2 . . . . 16 TYR HB . 16915 1 246 . 2 2 16 16 TYR HD1 H 1 7.086 0.003 . 3 . . . . 16 TYR QD . 16915 1 247 . 2 2 16 16 TYR HD2 H 1 7.086 0.003 . 3 . . . . 16 TYR QD . 16915 1 248 . 2 2 16 16 TYR HE1 H 1 6.738 0.003 . 3 . . . . 16 TYR QE . 16915 1 249 . 2 2 16 16 TYR HE2 H 1 6.738 0.003 . 3 . . . . 16 TYR QE . 16915 1 250 . 2 2 17 17 LEU H H 1 7.939 0.001 . 1 . . . . 17 LEU H . 16915 1 251 . 2 2 17 17 LEU HA H 1 4.059 0.002 . 1 . . . . 17 LEU HA . 16915 1 252 . 2 2 17 17 LEU HB2 H 1 1.881 0.001 . 2 . . . . 17 LEU HB2 . 16915 1 253 . 2 2 17 17 LEU HB3 H 1 1.619 0.004 . 2 . . . . 17 LEU HB3 . 16915 1 254 . 2 2 17 17 LEU HD11 H 1 0.920 0.003 . 1 . . . . 17 LEU QD1 . 16915 1 255 . 2 2 17 17 LEU HD12 H 1 0.920 0.003 . 1 . . . . 17 LEU QD1 . 16915 1 256 . 2 2 17 17 LEU HD13 H 1 0.920 0.003 . 1 . . . . 17 LEU QD1 . 16915 1 257 . 2 2 18 18 VAL H H 1 8.416 0.004 . 1 . . . . 18 VAL H . 16915 1 258 . 2 2 18 18 VAL HA H 1 3.834 0.001 . 1 . . . . 18 VAL HA . 16915 1 259 . 2 2 18 18 VAL HB H 1 2.104 0.003 . 1 . . . . 18 VAL HB . 16915 1 260 . 2 2 18 18 VAL HG11 H 1 1.017 0.001 . 1 . . . . 18 VAL QG1 . 16915 1 261 . 2 2 18 18 VAL HG12 H 1 1.017 0.001 . 1 . . . . 18 VAL QG1 . 16915 1 262 . 2 2 18 18 VAL HG13 H 1 1.017 0.001 . 1 . . . . 18 VAL QG1 . 16915 1 263 . 2 2 18 18 VAL HG21 H 1 0.886 0.001 . 1 . . . . 18 VAL QG2 . 16915 1 264 . 2 2 18 18 VAL HG22 H 1 0.886 0.001 . 1 . . . . 18 VAL QG2 . 16915 1 265 . 2 2 18 18 VAL HG23 H 1 0.886 0.001 . 1 . . . . 18 VAL QG2 . 16915 1 266 . 2 2 19 19 CYS H H 1 8.630 0.002 . 1 . . . . 19 CYS H . 16915 1 267 . 2 2 19 19 CYS HA H 1 4.698 0.003 . 1 . . . . 19 CYS HA . 16915 1 268 . 2 2 19 19 CYS HB2 H 1 3.177 0.002 . 2 . . . . 19 CYS HB2 . 16915 1 269 . 2 2 19 19 CYS HB3 H 1 2.936 0.001 . 2 . . . . 19 CYS HB3 . 16915 1 270 . 2 2 20 20 GLY H H 1 7.820 0.002 . 1 . . . . 20 GLY H . 16915 1 271 . 2 2 20 20 GLY HA2 H 1 3.873 0.001 . 2 . . . . 20 GLY HA . 16915 1 272 . 2 2 20 20 GLY HA3 H 1 3.873 0.001 . 2 . . . . 20 GLY HA . 16915 1 273 . 2 2 21 21 GLU H H 1 8.033 0.001 . 1 . . . . 21 GLU H . 16915 1 274 . 2 2 21 21 GLU HA H 1 4.221 0.002 . 1 . . . . 21 GLU HA . 16915 1 275 . 2 2 21 21 GLU HB2 H 1 2.148 0.001 . 2 . . . . 21 GLU HB2 . 16915 1 276 . 2 2 21 21 GLU HB3 H 1 2.067 0.001 . 2 . . . . 21 GLU HB3 . 16915 1 277 . 2 2 21 21 GLU HG2 H 1 2.507 0.001 . 2 . . . . 21 GLU HG2 . 16915 1 278 . 2 2 21 21 GLU HG3 H 1 2.455 0.004 . 2 . . . . 21 GLU HG3 . 16915 1 279 . 2 2 22 22 ARG H H 1 7.832 0.002 . 1 . . . . 22 ARG H . 16915 1 280 . 2 2 22 22 ARG HA H 1 4.202 0.004 . 1 . . . . 22 ARG HA . 16915 1 281 . 2 2 22 22 ARG HB2 H 1 1.910 0.004 . 2 . . . . 22 ARG HB2 . 16915 1 282 . 2 2 22 22 ARG HB3 H 1 1.849 0.002 . 2 . . . . 22 ARG HB3 . 16915 1 283 . 2 2 22 22 ARG HD2 H 1 3.186 0.002 . 2 . . . . 22 ARG QD . 16915 1 284 . 2 2 22 22 ARG HD3 H 1 3.186 0.002 . 2 . . . . 22 ARG QD . 16915 1 285 . 2 2 22 22 ARG HE H 1 7.182 0.001 . 1 . . . . 22 ARG HE . 16915 1 286 . 2 2 22 22 ARG HG2 H 1 1.683 0.002 . 2 . . . . 22 ARG QG . 16915 1 287 . 2 2 22 22 ARG HG3 H 1 1.683 0.002 . 2 . . . . 22 ARG QG . 16915 1 288 . 2 2 23 23 GLY H H 1 7.864 0.002 . 1 . . . . 23 GLY H . 16915 1 289 . 2 2 23 23 GLY HA2 H 1 3.835 0.001 . 2 . . . . 23 GLY HA . 16915 1 290 . 2 2 23 23 GLY HA3 H 1 3.835 0.001 . 2 . . . . 23 GLY HA . 16915 1 291 . 2 2 24 24 PHE H H 1 7.718 0.001 . 1 . . . . 24 PHE H . 16915 1 292 . 2 2 24 24 PHE HA H 1 4.561 0.001 . 1 . . . . 24 PHE HA . 16915 1 293 . 2 2 24 24 PHE HB2 H 1 2.962 0.003 . 2 . . . . 24 PHE HB2 . 16915 1 294 . 2 2 24 24 PHE HB3 H 1 2.877 0.006 . 2 . . . . 24 PHE HB3 . 16915 1 295 . 2 2 24 24 PHE HD1 H 1 7.031 0.002 . 3 . . . . 24 PHE QD . 16915 1 296 . 2 2 24 24 PHE HD2 H 1 7.031 0.002 . 3 . . . . 24 PHE QD . 16915 1 297 . 2 2 24 24 PHE HE1 H 1 7.195 0.002 . 3 . . . . 24 PHE QE . 16915 1 298 . 2 2 24 24 PHE HE2 H 1 7.195 0.002 . 3 . . . . 24 PHE QE . 16915 1 299 . 2 2 25 25 PHE H H 1 7.910 0.001 . 1 . . . . 25 PHE H . 16915 1 300 . 2 2 25 25 PHE HA H 1 4.545 0.000 . 1 . . . . 25 PHE HA . 16915 1 301 . 2 2 25 25 PHE HB2 H 1 3.059 0.005 . 2 . . . . 25 PHE HB2 . 16915 1 302 . 2 2 25 25 PHE HB3 H 1 2.922 0.004 . 2 . . . . 25 PHE HB3 . 16915 1 303 . 2 2 25 25 PHE HD1 H 1 7.186 0.002 . 3 . . . . 25 PHE QD . 16915 1 304 . 2 2 25 25 PHE HD2 H 1 7.186 0.002 . 3 . . . . 25 PHE QD . 16915 1 305 . 2 2 25 25 PHE HE1 H 1 7.295 0.003 . 3 . . . . 25 PHE QE . 16915 1 306 . 2 2 25 25 PHE HE2 H 1 7.295 0.003 . 3 . . . . 25 PHE QE . 16915 1 307 . 2 2 26 26 TYR H H 1 7.781 0.001 . 1 . . . . 26 TYR H . 16915 1 308 . 2 2 26 26 TYR HA H 1 4.563 0.001 . 1 . . . . 26 TYR HA . 16915 1 309 . 2 2 26 26 TYR HB2 H 1 2.985 0.003 . 2 . . . . 26 TYR HB2 . 16915 1 310 . 2 2 26 26 TYR HB3 H 1 2.902 0.013 . 2 . . . . 26 TYR HB3 . 16915 1 311 . 2 2 26 26 TYR HD1 H 1 7.072 0.002 . 3 . . . . 26 TYR QD . 16915 1 312 . 2 2 26 26 TYR HD2 H 1 7.072 0.002 . 3 . . . . 26 TYR QD . 16915 1 313 . 2 2 26 26 TYR HE1 H 1 6.784 0.002 . 3 . . . . 26 TYR QE . 16915 1 314 . 2 2 26 26 TYR HE2 H 1 6.784 0.002 . 3 . . . . 26 TYR QE . 16915 1 315 . 2 2 27 27 THR H H 1 7.692 0.001 . 1 . . . . 27 THR H . 16915 1 316 . 2 2 27 27 THR HA H 1 4.560 0.004 . 1 . . . . 27 THR HA . 16915 1 317 . 2 2 27 27 THR HB H 1 4.082 0.001 . 1 . . . . 27 THR HB . 16915 1 318 . 2 2 27 27 THR HG21 H 1 1.180 0.001 . 1 . . . . 27 THR QG2 . 16915 1 319 . 2 2 27 27 THR HG22 H 1 1.180 0.001 . 1 . . . . 27 THR QG2 . 16915 1 320 . 2 2 27 27 THR HG23 H 1 1.180 0.001 . 1 . . . . 27 THR QG2 . 16915 1 321 . 2 2 28 28 PRO HA H 1 4.338 0.001 . 1 . . . . 28 PRO HA . 16915 1 322 . 2 2 28 28 PRO HB2 H 1 2.269 0.001 . 2 . . . . 28 PRO HB2 . 16915 1 323 . 2 2 28 28 PRO HB3 H 1 1.941 0.000 . 2 . . . . 28 PRO HB3 . 16915 1 324 . 2 2 28 28 PRO HD2 H 1 3.666 0.001 . 2 . . . . 28 PRO QD . 16915 1 325 . 2 2 28 28 PRO HD3 H 1 3.666 0.001 . 2 . . . . 28 PRO QD . 16915 1 326 . 2 2 28 28 PRO HG2 H 1 1.991 0.001 . 2 . . . . 28 PRO HG2 . 16915 1 327 . 2 2 28 28 PRO HG3 H 1 1.944 0.000 . 2 . . . . 28 PRO HG3 . 16915 1 328 . 2 2 29 29 LYS H H 1 8.169 0.002 . 1 . . . . 29 LYS H . 16915 1 329 . 2 2 29 29 LYS HB2 H 1 1.831 0.002 . 2 . . . . 29 LYS HB2 . 16915 1 330 . 2 2 29 29 LYS HB3 H 1 1.729 0.003 . 2 . . . . 29 LYS HB3 . 16915 1 331 . 2 2 30 30 THR H H 1 7.790 0.004 . 1 . . . . 30 THR H . 16915 1 332 . 2 2 30 30 THR HA H 1 4.285 0.004 . 1 . . . . 30 THR HA . 16915 1 333 . 2 2 30 30 THR HB H 1 4.175 0.001 . 1 . . . . 30 THR HB . 16915 1 334 . 2 2 30 30 THR HG21 H 1 1.171 0.002 . 1 . . . . 30 THR QG2 . 16915 1 335 . 2 2 30 30 THR HG22 H 1 1.171 0.002 . 1 . . . . 30 THR QG2 . 16915 1 336 . 2 2 30 30 THR HG23 H 1 1.171 0.002 . 1 . . . . 30 THR QG2 . 16915 1 337 . 2 2 31 31 LYS H H 1 8.053 0.001 . 1 . . . . 31 LYS H . 16915 1 338 . 2 2 31 31 LYS HA H 1 4.335 0.001 . 1 . . . . 31 LYS HA . 16915 1 339 . 2 2 31 31 LYS HB2 H 1 1.836 0.000 . 2 . . . . 31 LYS HB2 . 16915 1 340 . 2 2 31 31 LYS HB3 H 1 1.720 0.000 . 2 . . . . 31 LYS HB3 . 16915 1 341 . 2 2 31 31 LYS HD2 H 1 1.657 0.004 . 2 . . . . 31 LYS QD . 16915 1 342 . 2 2 31 31 LYS HD3 H 1 1.657 0.004 . 2 . . . . 31 LYS QD . 16915 1 343 . 2 2 31 31 LYS HE2 H 1 2.948 0.001 . 2 . . . . 31 LYS QE . 16915 1 344 . 2 2 31 31 LYS HE3 H 1 2.948 0.001 . 2 . . . . 31 LYS QE . 16915 1 345 . 2 2 31 31 LYS HG2 H 1 1.416 0.000 . 2 . . . . 31 LYS QG . 16915 1 346 . 2 2 31 31 LYS HG3 H 1 1.416 0.000 . 2 . . . . 31 LYS QG . 16915 1 347 . 2 2 32 32 ARG H H 1 8.168 0.001 . 1 . . . . 32 ARG H . 16915 1 348 . 2 2 32 32 ARG HB2 H 1 1.891 0.003 . 2 . . . . 32 ARG HB2 . 16915 1 349 . 2 2 32 32 ARG HB3 H 1 1.744 0.001 . 2 . . . . 32 ARG HB3 . 16915 1 350 . 2 2 32 32 ARG HD2 H 1 3.172 0.001 . 2 . . . . 32 ARG QD . 16915 1 351 . 2 2 32 32 ARG HD3 H 1 3.172 0.001 . 2 . . . . 32 ARG QD . 16915 1 stop_ save_