################################### # 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 25477 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H NOESY' . . . 25477 1 3 '2D 1H-15N HSQC' . . . 25477 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 1 $TopSpin . . 25477 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 ALA HA H 1 5.195 0.011 . 1 . . . A 1 ALA HA . 25477 1 2 . 1 1 1 1 ALA HB1 H 1 2.576 0.007 . 1 . . . A 1 ALA HB1 . 25477 1 3 . 1 1 1 1 ALA HB2 H 1 2.576 0.007 . 1 . . . A 1 ALA HB2 . 25477 1 4 . 1 1 1 1 ALA HB3 H 1 2.576 0.007 . 1 . . . A 1 ALA HB3 . 25477 1 5 . 1 1 2 2 ASP H H 1 10.343 0.008 . 1 . . . A 2 ASP H . 25477 1 6 . 1 1 2 2 ASP HA H 1 7.247 0.008 . 1 . . . A 2 ASP HA . 25477 1 7 . 1 1 2 2 ASP HB2 H 1 4.032 0.003 . 2 . . . A 2 ASP HB2 . 25477 1 8 . 1 1 2 2 ASP HB3 H 1 4.489 0.005 . 2 . . . A 2 ASP HB3 . 25477 1 9 . 1 1 2 2 ASP N N 15 124.367 0.000 . 1 . . . A 2 ASP N . 25477 1 10 . 1 1 3 3 ASP H H 1 9.546 0.005 . 1 . . . A 3 ASP H . 25477 1 11 . 1 1 3 3 ASP HA H 1 7.279 0.005 . 1 . . . A 3 ASP HA . 25477 1 12 . 1 1 3 3 ASP HB2 H 1 3.448 0.006 . 2 . . . A 3 ASP HB2 . 25477 1 13 . 1 1 3 3 ASP HB3 H 1 3.486 0.008 . 2 . . . A 3 ASP HB3 . 25477 1 14 . 1 1 3 3 ASP N N 15 120.501 0.000 . 1 . . . A 3 ASP N . 25477 1 15 . 1 1 4 4 ILE H H 1 10.258 0.005 . 1 . . . A 4 ILE H . 25477 1 16 . 1 1 4 4 ILE HA H 1 5.099 0.011 . 1 . . . A 4 ILE HA . 25477 1 17 . 1 1 4 4 ILE HB H 1 2.727 0.008 . 1 . . . A 4 ILE HB . 25477 1 18 . 1 1 4 4 ILE HG12 H 1 2.409 0.009 . 2 . . . A 4 ILE HG12 . 25477 1 19 . 1 1 4 4 ILE HG13 H 1 4.077 0.010 . 2 . . . A 4 ILE HG13 . 25477 1 20 . 1 1 4 4 ILE HG21 H 1 0.845 0.006 . 1 . . . A 4 ILE QG2 . 25477 1 21 . 1 1 4 4 ILE HG22 H 1 0.845 0.006 . 1 . . . A 4 ILE QG2 . 25477 1 22 . 1 1 4 4 ILE HG23 H 1 0.845 0.006 . 1 . . . A 4 ILE HG23 . 25477 1 23 . 1 1 4 4 ILE HD11 H 1 2.111 0.006 . 1 . . . A 4 ILE HD11 . 25477 1 24 . 1 1 4 4 ILE HD12 H 1 2.111 0.006 . 1 . . . A 4 ILE QD1 . 25477 1 25 . 1 1 4 4 ILE HD13 H 1 2.111 0.006 . 1 . . . A 4 ILE QD1 . 25477 1 26 . 1 1 4 4 ILE N N 15 123.994 0.000 . 1 . . . A 4 ILE N . 25477 1 27 . 1 1 5 5 VAL H H 1 9.384 0.004 . 1 . . . A 5 VAL H . 25477 1 28 . 1 1 5 5 VAL HA H 1 4.932 0.012 . 1 . . . A 5 VAL HA . 25477 1 29 . 1 1 5 5 VAL HB H 1 2.384 0.006 . 1 . . . A 5 VAL HB . 25477 1 30 . 1 1 5 5 VAL HG11 H 1 1.355 0.007 . 1 . . . A 5 VAL QG1 . 25477 1 31 . 1 1 5 5 VAL HG12 H 1 1.355 0.007 . 1 . . . A 5 VAL QG1 . 25477 1 32 . 1 1 5 5 VAL HG13 H 1 1.355 0.007 . 1 . . . A 5 VAL HG13 . 25477 1 33 . 1 1 5 5 VAL HG21 H 1 1.485 0.004 . 1 . . . A 5 VAL HG21 . 25477 1 34 . 1 1 5 5 VAL HG22 H 1 1.485 0.004 . 1 . . . A 5 VAL QG2 . 25477 1 35 . 1 1 5 5 VAL HG23 H 1 1.485 0.004 . 1 . . . A 5 VAL QG2 . 25477 1 36 . 1 1 5 5 VAL N N 15 129.474 0.000 . 1 . . . A 5 VAL N . 25477 1 37 . 1 1 6 6 LEU H H 1 9.655 0.005 . 1 . . . A 6 LEU H . 25477 1 38 . 1 1 6 6 LEU HA H 1 4.542 0.006 . 1 . . . A 6 LEU HA . 25477 1 39 . 1 1 6 6 LEU HB2 H 1 1.957 0.007 . 1 . . . A 6 LEU HB2 . 25477 1 40 . 1 1 6 6 LEU HB3 H 1 0.840 0.010 . 1 . . . A 6 LEU HB3 . 25477 1 41 . 1 1 6 6 LEU HG H 1 1.249 0.005 . 1 . . . A 6 LEU HG . 25477 1 42 . 1 1 6 6 LEU HD11 H 1 -0.612 0.006 . 1 . . . A 6 LEU QD1 . 25477 1 43 . 1 1 6 6 LEU HD12 H 1 -0.612 0.006 . 1 . . . A 6 LEU QD1 . 25477 1 44 . 1 1 6 6 LEU HD13 H 1 -0.612 0.006 . 1 . . . A 6 LEU HD13 . 25477 1 45 . 1 1 6 6 LEU HD21 H 1 -0.156 0.005 . 1 . . . A 6 LEU HD21 . 25477 1 46 . 1 1 6 6 LEU HD22 H 1 -0.156 0.005 . 1 . . . A 6 LEU QD2 . 25477 1 47 . 1 1 6 6 LEU HD23 H 1 -0.156 0.005 . 1 . . . A 6 LEU QD2 . 25477 1 48 . 1 1 6 6 LEU N N 15 132.431 0.000 . 1 . . . A 6 LEU N . 25477 1 49 . 1 1 7 7 LYS H H 1 8.556 0.005 . 1 . . . A 7 LYS H . 25477 1 50 . 1 1 7 7 LYS HA H 1 4.947 0.008 . 1 . . . A 7 LYS HA . 25477 1 51 . 1 1 7 7 LYS HB2 H 1 1.768 0.008 . 2 . . . A 7 LYS HB2 . 25477 1 52 . 1 1 7 7 LYS HB3 H 1 1.871 0.008 . 2 . . . A 7 LYS HB3 . 25477 1 53 . 1 1 7 7 LYS HG2 H 1 1.674 0.005 . 2 . . . A 7 LYS HG2 . 25477 1 54 . 1 1 7 7 LYS HG3 H 1 1.644 0.002 . 2 . . . A 7 LYS HG3 . 25477 1 55 . 1 1 7 7 LYS N N 15 124.598 0.000 . 1 . . . A 7 LYS N . 25477 1 56 . 1 1 8 8 ALA H H 1 10.136 0.010 . 1 . . . A 8 ALA H . 25477 1 57 . 1 1 8 8 ALA HA H 1 4.782 0.015 . 1 . . . A 8 ALA HA . 25477 1 58 . 1 1 8 8 ALA HB1 H 1 4.325 0.005 . 1 . . . A 8 ALA HB1 . 25477 1 59 . 1 1 8 8 ALA HB2 H 1 4.325 0.005 . 1 . . . A 8 ALA HB2 . 25477 1 60 . 1 1 8 8 ALA HB3 H 1 4.325 0.005 . 1 . . . A 8 ALA HB3 . 25477 1 61 . 1 1 8 8 ALA N N 15 124.683 0.000 . 1 . . . A 8 ALA N . 25477 1 62 . 1 1 9 9 LYS H H 1 10.009 0.006 . 1 . . . A 9 LYS H . 25477 1 63 . 1 1 9 9 LYS HA H 1 4.337 0.008 . 1 . . . A 9 LYS HA . 25477 1 64 . 1 1 9 9 LYS HB2 H 1 1.525 0.009 . 2 . . . A 9 LYS HB2 . 25477 1 65 . 1 1 9 9 LYS HG2 H 1 0.974 0.005 . 2 . . . A 9 LYS HG2 . 25477 1 66 . 1 1 9 9 LYS HG3 H 1 1.118 0.004 . 2 . . . A 9 LYS HG3 . 25477 1 67 . 1 1 9 9 LYS HD2 H 1 1.262 0.007 . 2 . . . A 9 LYS HD2 . 25477 1 68 . 1 1 9 9 LYS N N 15 125.212 0.000 . 1 . . . A 9 LYS N . 25477 1 69 . 1 1 10 10 ASN H H 1 9.692 0.007 . 1 . . . A 10 ASN H . 25477 1 70 . 1 1 10 10 ASN HA H 1 5.107 0.008 . 1 . . . A 10 ASN HA . 25477 1 71 . 1 1 10 10 ASN HB2 H 1 1.655 0.008 . 2 . . . A 10 ASN HB2 . 25477 1 72 . 1 1 10 10 ASN HB3 H 1 2.802 0.007 . 2 . . . A 10 ASN HB3 . 25477 1 73 . 1 1 10 10 ASN N N 15 114.864 0.000 . 1 . . . A 10 ASN N . 25477 1 74 . 1 1 11 11 GLY H H 1 9.484 0.004 . 1 . . . A 11 GLY H . 25477 1 75 . 1 1 11 11 GLY HA2 H 1 5.349 0.008 . 1 . . . A 11 GLY HA2 . 25477 1 76 . 1 1 11 11 GLY HA3 H 1 6.962 0.006 . 1 . . . A 11 GLY HA3 . 25477 1 77 . 1 1 11 11 GLY N N 15 113.592 0.000 . 1 . . . A 11 GLY N . 25477 1 78 . 1 1 12 12 ASP H H 1 10.354 0.006 . 1 . . . A 12 ASP H . 25477 1 79 . 1 1 12 12 ASP HA H 1 6.986 0.005 . 1 . . . A 12 ASP HA . 25477 1 80 . 1 1 12 12 ASP HB2 H 1 3.543 0.008 . 2 . . . A 12 ASP HB2 . 25477 1 81 . 1 1 12 12 ASP HB3 H 1 3.836 0.008 . 2 . . . A 12 ASP HB3 . 25477 1 82 . 1 1 12 12 ASP N N 15 133.500 0.000 . 1 . . . A 12 ASP N . 25477 1 83 . 1 1 13 13 VAL H H 1 10.729 0.004 . 1 . . . A 13 VAL H . 25477 1 84 . 1 1 13 13 VAL HA H 1 6.764 0.004 . 1 . . . A 13 VAL HA . 25477 1 85 . 1 1 13 13 VAL HB H 1 3.384 0.006 . 1 . . . A 13 VAL HB . 25477 1 86 . 1 1 13 13 VAL HG11 H 1 1.095 0.008 . 1 . . . A 13 VAL QG1 . 25477 1 87 . 1 1 13 13 VAL HG12 H 1 1.095 0.008 . 1 . . . A 13 VAL QG1 . 25477 1 88 . 1 1 13 13 VAL HG13 H 1 1.095 0.008 . 1 . . . A 13 VAL HG13 . 25477 1 89 . 1 1 13 13 VAL HG21 H 1 6.495 0.007 . 1 . . . A 13 VAL HG21 . 25477 1 90 . 1 1 13 13 VAL HG22 H 1 6.495 0.007 . 1 . . . A 13 VAL QG2 . 25477 1 91 . 1 1 13 13 VAL HG23 H 1 6.495 0.007 . 1 . . . A 13 VAL QG2 . 25477 1 92 . 1 1 13 13 VAL N N 15 122.888 0.000 . 1 . . . A 13 VAL N . 25477 1 93 . 1 1 14 14 LYS H H 1 9.987 0.006 . 1 . . . A 14 LYS H . 25477 1 94 . 1 1 14 14 LYS HA H 1 5.074 0.011 . 1 . . . A 14 LYS HA . 25477 1 95 . 1 1 14 14 LYS HB2 H 1 2.362 0.006 . 2 . . . A 14 LYS HB2 . 25477 1 96 . 1 1 14 14 LYS HG2 H 1 1.812 0.007 . 2 . . . A 14 LYS HG2 . 25477 1 97 . 1 1 14 14 LYS HG3 H 1 2.067 0.008 . 2 . . . A 14 LYS HG3 . 25477 1 98 . 1 1 14 14 LYS HD2 H 1 2.181 0.007 . 2 . . . A 14 LYS HD2 . 25477 1 99 . 1 1 14 14 LYS HE2 H 1 3.427 0.005 . 2 . . . A 14 LYS HE2 . 25477 1 100 . 1 1 14 14 LYS N N 15 130.045 0.000 . 1 . . . A 14 LYS N . 25477 1 101 . 1 1 15 15 PHE H H 1 9.869 0.006 . 1 . . . A 15 PHE H . 25477 1 102 . 1 1 15 15 PHE HA H 1 5.815 0.009 . 1 . . . A 15 PHE HA . 25477 1 103 . 1 1 15 15 PHE HB2 H 1 2.722 0.010 . 2 . . . A 15 PHE HB2 . 25477 1 104 . 1 1 15 15 PHE HB3 H 1 3.687 0.009 . 2 . . . A 15 PHE HB3 . 25477 1 105 . 1 1 15 15 PHE N N 15 126.228 0.000 . 1 . . . A 15 PHE N . 25477 1 106 . 1 1 16 16 PRO HA H 1 7.385 0.007 . 1 . . . A 16 PRO HA . 25477 1 107 . 1 1 16 16 PRO HB2 H 1 3.260 0.006 . 2 . . . A 16 PRO HB2 . 25477 1 108 . 1 1 16 16 PRO HB3 H 1 4.343 0.007 . 2 . . . A 16 PRO HB3 . 25477 1 109 . 1 1 16 16 PRO HG2 H 1 2.136 0.009 . 2 . . . A 16 PRO HG2 . 25477 1 110 . 1 1 16 16 PRO HD2 H 1 4.518 0.009 . 2 . . . A 16 PRO HD2 . 25477 1 111 . 1 1 17 17 HIS H H 1 11.607 0.007 . 1 . . . A 17 HIS H . 25477 1 112 . 1 1 17 17 HIS HA H 1 8.377 0.009 . 1 . . . A 17 HIS HA . 25477 1 113 . 1 1 17 17 HIS HB2 H 1 15.704 0.012 . 1 . . . A 17 HIS HB2 . 25477 1 114 . 1 1 17 17 HIS HB3 H 1 11.352 0.016 . 1 . . . A 17 HIS HB3 . 25477 1 115 . 1 1 17 17 HIS N N 15 138.291 0.000 . 1 . . . A 17 HIS N . 25477 1 116 . 1 1 18 18 LYS H H 1 12.968 0.006 . 1 . . . A 18 LYS H . 25477 1 117 . 1 1 18 18 LYS HA H 1 7.447 0.007 . 1 . . . A 18 LYS HA . 25477 1 118 . 1 1 18 18 LYS HB2 H 1 4.154 0.003 . 2 . . . A 18 LYS HB2 . 25477 1 119 . 1 1 18 18 LYS HB3 H 1 4.587 0.007 . 2 . . . A 18 LYS HB3 . 25477 1 120 . 1 1 18 18 LYS HG2 H 1 3.064 0.019 . 2 . . . A 18 LYS HG2 . 25477 1 121 . 1 1 18 18 LYS HG3 H 1 3.153 0.015 . 2 . . . A 18 LYS HG3 . 25477 1 122 . 1 1 18 18 LYS HD2 H 1 3.156 0.015 . 2 . . . A 18 LYS HD2 . 25477 1 123 . 1 1 18 18 LYS HE2 H 1 4.069 0.007 . 2 . . . A 18 LYS HE2 . 25477 1 124 . 1 1 18 18 LYS N N 15 126.220 0.000 . 1 . . . A 18 LYS N . 25477 1 125 . 1 1 19 19 ALA H H 1 10.987 0.005 . 1 . . . A 19 ALA H . 25477 1 126 . 1 1 19 19 ALA HA H 1 5.578 0.010 . 1 . . . A 19 ALA HA . 25477 1 127 . 1 1 19 19 ALA HB1 H 1 3.019 0.007 . 1 . . . A 19 ALA HB1 . 25477 1 128 . 1 1 19 19 ALA HB2 H 1 3.019 0.007 . 1 . . . A 19 ALA HB2 . 25477 1 129 . 1 1 19 19 ALA HB3 H 1 3.019 0.007 . 1 . . . A 19 ALA HB3 . 25477 1 130 . 1 1 19 19 ALA N N 15 124.418 0.000 . 1 . . . A 19 ALA N . 25477 1 131 . 1 1 20 20 HIS H H 1 12.109 0.008 . 1 . . . A 20 HIS H . 25477 1 132 . 1 1 20 20 HIS HA H 1 7.924 0.011 . 1 . . . A 20 HIS HA . 25477 1 133 . 1 1 20 20 HIS HB2 H 1 9.634 0.011 . 1 . . . A 20 HIS HB2 . 25477 1 134 . 1 1 20 20 HIS HB3 H 1 6.070 0.011 . 1 . . . A 20 HIS HB3 . 25477 1 135 . 1 1 20 20 HIS N N 15 118.446 0.000 . 1 . . . A 20 HIS N . 25477 1 136 . 1 1 21 21 GLN H H 1 9.883 0.006 . 1 . . . A 21 GLN H . 25477 1 137 . 1 1 21 21 GLN HA H 1 3.756 0.004 . 1 . . . A 21 GLN HA . 25477 1 138 . 1 1 21 21 GLN HB2 H 1 2.127 0.004 . 2 . . . A 21 GLN HB2 . 25477 1 139 . 1 1 21 21 GLN HB3 H 1 3.464 0.010 . 2 . . . A 21 GLN HB3 . 25477 1 140 . 1 1 21 21 GLN HG2 H 1 0.671 0.006 . 2 . . . A 21 GLN HG2 . 25477 1 141 . 1 1 21 21 GLN HG3 H 1 4.373 0.002 . 2 . . . A 21 GLN HG3 . 25477 1 142 . 1 1 21 21 GLN N N 15 121.637 0.000 . 1 . . . A 21 GLN N . 25477 1 143 . 1 1 22 22 LYS H H 1 8.086 0.008 . 1 . . . A 22 LYS H . 25477 1 144 . 1 1 22 22 LYS HA H 1 4.448 0.007 . 1 . . . A 22 LYS HA . 25477 1 145 . 1 1 22 22 LYS HB2 H 1 2.379 0.004 . 2 . . . A 22 LYS HB2 . 25477 1 146 . 1 1 22 22 LYS HB3 H 1 2.462 0.003 . 2 . . . A 22 LYS HB3 . 25477 1 147 . 1 1 22 22 LYS HG2 H 1 1.797 0.015 . 2 . . . A 22 LYS HG2 . 25477 1 148 . 1 1 22 22 LYS HD2 H 1 2.021 0.006 . 2 . . . A 22 LYS HD2 . 25477 1 149 . 1 1 22 22 LYS HE2 H 1 3.296 0.012 . 2 . . . A 22 LYS HE2 . 25477 1 150 . 1 1 22 22 LYS N N 15 117.108 0.000 . 1 . . . A 22 LYS N . 25477 1 151 . 1 1 23 23 ALA H H 1 8.047 0.008 . 1 . . . A 23 ALA H . 25477 1 152 . 1 1 23 23 ALA HA H 1 4.376 0.006 . 1 . . . A 23 ALA HA . 25477 1 153 . 1 1 23 23 ALA HB1 H 1 2.045 0.008 . 1 . . . A 23 ALA HB1 . 25477 1 154 . 1 1 23 23 ALA HB2 H 1 2.045 0.008 . 1 . . . A 23 ALA HB2 . 25477 1 155 . 1 1 23 23 ALA HB3 H 1 2.045 0.008 . 1 . . . A 23 ALA HB3 . 25477 1 156 . 1 1 23 23 ALA N N 15 119.728 0.000 . 1 . . . A 23 ALA N . 25477 1 157 . 1 1 24 24 VAL H H 1 8.394 0.007 . 1 . . . A 24 VAL H . 25477 1 158 . 1 1 24 24 VAL HA H 1 3.824 0.012 . 1 . . . A 24 VAL HA . 25477 1 159 . 1 1 24 24 VAL HB H 1 1.352 0.011 . 1 . . . A 24 VAL HB . 25477 1 160 . 1 1 24 24 VAL HG11 H 1 -0.377 0.009 . 1 . . . A 24 VAL QG1 . 25477 1 161 . 1 1 24 24 VAL HG12 H 1 -0.377 0.009 . 1 . . . A 24 VAL QG1 . 25477 1 162 . 1 1 24 24 VAL HG13 H 1 -0.377 0.009 . 1 . . . A 24 VAL HG13 . 25477 1 163 . 1 1 24 24 VAL HG21 H 1 -0.150 0.007 . 1 . . . A 24 VAL HG21 . 25477 1 164 . 1 1 24 24 VAL HG22 H 1 -0.150 0.007 . 1 . . . A 24 VAL QG2 . 25477 1 165 . 1 1 24 24 VAL HG23 H 1 -0.150 0.007 . 1 . . . A 24 VAL QG2 . 25477 1 166 . 1 1 24 24 VAL N N 15 118.949 0.000 . 1 . . . A 24 VAL N . 25477 1 167 . 1 1 25 25 PRO HA H 1 4.223 0.007 . 1 . . . A 25 PRO HA . 25477 1 168 . 1 1 25 25 PRO HB2 H 1 1.778 0.008 . 2 . . . A 25 PRO HB2 . 25477 1 169 . 1 1 25 25 PRO HG2 H 1 1.708 0.005 . 2 . . . A 25 PRO HG2 . 25477 1 170 . 1 1 25 25 PRO HD2 H 1 3.128 0.008 . 2 . . . A 25 PRO HD2 . 25477 1 171 . 1 1 25 25 PRO HD3 H 1 3.340 0.006 . 2 . . . A 25 PRO HD3 . 25477 1 172 . 1 1 26 26 ASP H H 1 7.169 0.004 . 1 . . . A 26 ASP H . 25477 1 173 . 1 1 26 26 ASP HA H 1 4.399 0.006 . 1 . . . A 26 ASP HA . 25477 1 174 . 1 1 26 26 ASP HB2 H 1 2.280 0.012 . 2 . . . A 26 ASP HB2 . 25477 1 175 . 1 1 26 26 ASP HB3 H 1 2.473 0.005 . 2 . . . A 26 ASP HB3 . 25477 1 176 . 1 1 26 26 ASP N N 15 118.341 0.000 . 1 . . . A 26 ASP N . 25477 1 177 . 1 1 27 27 CYS H H 1 7.468 0.007 . 1 . . . A 27 CYS H . 25477 1 178 . 1 1 27 27 CYS HA H 1 2.046 0.005 . 1 . . . A 27 CYS HA . 25477 1 179 . 1 1 27 27 CYS HB2 H 1 3.230 0.008 . 2 . . . A 27 CYS HB2 . 25477 1 180 . 1 1 27 27 CYS N N 15 124.578 0.000 . 1 . . . A 27 CYS N . 25477 1 181 . 1 1 28 28 LYS H H 1 8.329 0.006 . 1 . . . A 28 LYS H . 25477 1 182 . 1 1 28 28 LYS HA H 1 5.514 0.007 . 1 . . . A 28 LYS HA . 25477 1 183 . 1 1 28 28 LYS HB2 H 1 2.270 0.008 . 2 . . . A 28 LYS HB2 . 25477 1 184 . 1 1 28 28 LYS HG2 H 1 2.014 0.010 . 2 . . . A 28 LYS HG2 . 25477 1 185 . 1 1 28 28 LYS HG3 H 1 2.145 0.009 . 2 . . . A 28 LYS HG3 . 25477 1 186 . 1 1 28 28 LYS HE2 H 1 3.362 0.001 . 2 . . . A 28 LYS HE2 . 25477 1 187 . 1 1 28 28 LYS N N 15 115.097 0.000 . 1 . . . A 28 LYS N . 25477 1 188 . 1 1 29 29 LYS H H 1 7.449 0.007 . 1 . . . A 29 LYS H . 25477 1 189 . 1 1 29 29 LYS HA H 1 3.787 0.007 . 1 . . . A 29 LYS HA . 25477 1 190 . 1 1 29 29 LYS HB2 H 1 0.682 0.006 . 2 . . . A 29 LYS HB2 . 25477 1 191 . 1 1 29 29 LYS HB3 H 1 1.115 0.006 . 2 . . . A 29 LYS HB3 . 25477 1 192 . 1 1 29 29 LYS HG2 H 1 0.495 0.012 . 2 . . . A 29 LYS HG2 . 25477 1 193 . 1 1 29 29 LYS HE2 H 1 2.338 0.000 . 2 . . . A 29 LYS HE2 . 25477 1 194 . 1 1 29 29 LYS HE3 H 1 2.455 0.008 . 2 . . . A 29 LYS HE3 . 25477 1 195 . 1 1 29 29 LYS N N 15 118.552 0.000 . 1 . . . A 29 LYS N . 25477 1 196 . 1 1 30 30 CYS H H 1 6.636 0.011 . 1 . . . A 30 CYS H . 25477 1 197 . 1 1 30 30 CYS HA H 1 4.399 0.011 . 1 . . . A 30 CYS HA . 25477 1 198 . 1 1 30 30 CYS HB2 H 1 0.468 0.013 . 2 . . . A 30 CYS HB2 . 25477 1 199 . 1 1 30 30 CYS HB3 H 1 1.790 0.024 . 2 . . . A 30 CYS HB3 . 25477 1 200 . 1 1 30 30 CYS N N 15 111.091 0.000 . 1 . . . A 30 CYS N . 25477 1 201 . 1 1 31 31 HIS H H 1 11.948 0.011 . 1 . . . A 31 HIS H . 25477 1 202 . 1 1 31 31 HIS HA H 1 10.231 0.020 . 1 . . . A 31 HIS HA . 25477 1 203 . 1 1 31 31 HIS HB2 H 1 10.292 0.013 . 1 . . . A 31 HIS HB2 . 25477 1 204 . 1 1 31 31 HIS HB3 H 1 12.897 0.011 . 1 . . . A 31 HIS HB3 . 25477 1 205 . 1 1 31 31 HIS N N 15 122.497 0.000 . 1 . . . A 31 HIS N . 25477 1 206 . 1 1 32 32 GLU H H 1 10.401 0.007 . 1 . . . A 32 GLU H . 25477 1 207 . 1 1 32 32 GLU HA H 1 5.147 0.009 . 1 . . . A 32 GLU HA . 25477 1 208 . 1 1 32 32 GLU HB2 H 1 2.805 0.018 . 2 . . . A 32 GLU HB2 . 25477 1 209 . 1 1 32 32 GLU HB3 H 1 2.864 0.007 . 2 . . . A 32 GLU HB3 . 25477 1 210 . 1 1 32 32 GLU N N 15 128.508 0.000 . 1 . . . A 32 GLU N . 25477 1 211 . 1 1 33 33 LYS H H 1 10.277 0.005 . 1 . . . A 33 LYS H . 25477 1 212 . 1 1 33 33 LYS HA H 1 5.304 0.009 . 1 . . . A 33 LYS HA . 25477 1 213 . 1 1 33 33 LYS HB2 H 1 2.784 0.027 . 2 . . . A 33 LYS HB2 . 25477 1 214 . 1 1 33 33 LYS HB3 H 1 2.830 0.031 . 2 . . . A 33 LYS HB3 . 25477 1 215 . 1 1 33 33 LYS HG2 H 1 2.021 0.007 . 2 . . . A 33 LYS HG2 . 25477 1 216 . 1 1 33 33 LYS HG3 H 1 2.165 0.006 . 2 . . . A 33 LYS HG3 . 25477 1 217 . 1 1 33 33 LYS HD2 H 1 2.197 0.000 . 2 . . . A 33 LYS HD2 . 25477 1 218 . 1 1 33 33 LYS HE2 H 1 3.383 0.002 . 2 . . . A 33 LYS HE2 . 25477 1 219 . 1 1 33 33 LYS HE3 H 1 4.014 0.000 . 2 . . . A 33 LYS HE3 . 25477 1 220 . 1 1 33 33 LYS N N 15 117.199 0.000 . 1 . . . A 33 LYS N . 25477 1 221 . 1 1 34 34 GLY H H 1 8.997 0.004 . 1 . . . A 34 GLY H . 25477 1 222 . 1 1 34 34 GLY HA2 H 1 4.982 0.010 . 2 . . . A 34 GLY HA2 . 25477 1 223 . 1 1 34 34 GLY HA3 H 1 5.238 0.007 . 2 . . . A 34 GLY HA3 . 25477 1 224 . 1 1 34 34 GLY N N 15 109.000 0.000 . 1 . . . A 34 GLY N . 25477 1 225 . 1 1 35 35 PRO HA H 1 6.237 0.015 . 1 . . . A 35 PRO HA . 25477 1 226 . 1 1 35 35 PRO HB2 H 1 -0.786 0.012 . 2 . . . A 35 PRO HB2 . 25477 1 227 . 1 1 35 35 PRO HB3 H 1 -0.268 0.007 . 2 . . . A 35 PRO HB3 . 25477 1 228 . 1 1 35 35 PRO HG2 H 1 1.374 0.006 . 2 . . . A 35 PRO HG2 . 25477 1 229 . 1 1 35 35 PRO HD2 H 1 3.735 0.003 . 2 . . . A 35 PRO HD2 . 25477 1 230 . 1 1 35 35 PRO HD3 H 1 4.167 0.006 . 2 . . . A 35 PRO HD3 . 25477 1 231 . 1 1 36 36 GLY HA2 H 1 1.010 0.004 . 2 . . . A 36 GLY HA2 . 25477 1 232 . 1 1 36 36 GLY HA3 H 1 3.934 0.009 . 2 . . . A 36 GLY HA3 . 25477 1 233 . 1 1 37 37 LYS H H 1 7.501 0.004 . 1 . . . A 37 LYS H . 25477 1 234 . 1 1 37 37 LYS HA H 1 2.806 0.008 . 1 . . . A 37 LYS HA . 25477 1 235 . 1 1 37 37 LYS HB2 H 1 1.242 0.011 . 2 . . . A 37 LYS HB2 . 25477 1 236 . 1 1 37 37 LYS HG2 H 1 0.535 0.003 . 2 . . . A 37 LYS HG2 . 25477 1 237 . 1 1 37 37 LYS HG3 H 1 0.766 0.005 . 2 . . . A 37 LYS HG3 . 25477 1 238 . 1 1 37 37 LYS HD2 H 1 0.970 0.005 . 2 . . . A 37 LYS HD2 . 25477 1 239 . 1 1 37 37 LYS N N 15 118.406 0.000 . 1 . . . A 37 LYS N . 25477 1 240 . 1 1 38 38 ILE H H 1 9.561 0.021 . 1 . . . A 38 ILE H . 25477 1 241 . 1 1 38 38 ILE HA H 1 5.325 0.006 . 1 . . . A 38 ILE HA . 25477 1 242 . 1 1 38 38 ILE HB H 1 1.604 0.008 . 1 . . . A 38 ILE HB . 25477 1 243 . 1 1 38 38 ILE HG12 H 1 4.296 0.005 . 2 . . . A 38 ILE HG12 . 25477 1 244 . 1 1 38 38 ILE HG21 H 1 1.445 0.005 . 1 . . . A 38 ILE QG2 . 25477 1 245 . 1 1 38 38 ILE HG22 H 1 1.445 0.005 . 1 . . . A 38 ILE QG2 . 25477 1 246 . 1 1 38 38 ILE HG23 H 1 1.445 0.005 . 1 . . . A 38 ILE HG23 . 25477 1 247 . 1 1 38 38 ILE HD11 H 1 1.621 0.006 . 1 . . . A 38 ILE HD11 . 25477 1 248 . 1 1 38 38 ILE HD12 H 1 1.621 0.006 . 1 . . . A 38 ILE QD1 . 25477 1 249 . 1 1 38 38 ILE HD13 H 1 1.621 0.006 . 1 . . . A 38 ILE QD1 . 25477 1 250 . 1 1 38 38 ILE N N 15 128.016 0.000 . 1 . . . A 38 ILE N . 25477 1 251 . 1 1 39 39 GLU H H 1 9.317 0.005 . 1 . . . A 39 GLU H . 25477 1 252 . 1 1 39 39 GLU HA H 1 4.048 0.007 . 1 . . . A 39 GLU HA . 25477 1 253 . 1 1 39 39 GLU HB2 H 1 2.164 0.009 . 2 . . . A 39 GLU HB2 . 25477 1 254 . 1 1 39 39 GLU HG2 H 1 2.351 0.006 . 2 . . . A 39 GLU HG2 . 25477 1 255 . 1 1 39 39 GLU HG3 H 1 2.388 0.005 . 2 . . . A 39 GLU HG3 . 25477 1 256 . 1 1 39 39 GLU N N 15 131.257 0.000 . 1 . . . A 39 GLU N . 25477 1 257 . 1 1 40 40 GLY H H 1 8.977 0.007 . 1 . . . A 40 GLY H . 25477 1 258 . 1 1 40 40 GLY HA2 H 1 3.579 0.007 . 2 . . . A 40 GLY HA2 . 25477 1 259 . 1 1 40 40 GLY HA3 H 1 4.038 0.006 . 2 . . . A 40 GLY HA3 . 25477 1 260 . 1 1 40 40 GLY N N 15 112.897 0.000 . 1 . . . A 40 GLY N . 25477 1 261 . 1 1 41 41 PHE H H 1 7.595 0.007 . 1 . . . A 41 PHE H . 25477 1 262 . 1 1 41 41 PHE HA H 1 3.541 0.004 . 1 . . . A 41 PHE HA . 25477 1 263 . 1 1 41 41 PHE HB2 H 1 2.535 0.007 . 1 . . . A 41 PHE HB2 . 25477 1 264 . 1 1 41 41 PHE HB3 H 1 2.174 0.005 . 1 . . . A 41 PHE HB3 . 25477 1 265 . 1 1 41 41 PHE HD1 H 1 6.033 0.001 . 3 . . . A 41 PHE HD1 . 25477 1 266 . 1 1 41 41 PHE HD2 H 1 6.031 0.006 . 3 . . . A 41 PHE HD2 . 25477 1 267 . 1 1 41 41 PHE HE1 H 1 5.013 0.003 . 3 . . . A 41 PHE HE1 . 25477 1 268 . 1 1 41 41 PHE HE2 H 1 5.004 0.011 . 3 . . . A 41 PHE HE2 . 25477 1 269 . 1 1 41 41 PHE HZ H 1 4.347 0.012 . 1 . . . A 41 PHE HZ . 25477 1 270 . 1 1 41 41 PHE N N 15 121.371 0.000 . 1 . . . A 41 PHE N . 25477 1 271 . 1 1 42 42 GLY H H 1 4.698 0.008 . 1 . . . A 42 GLY H . 25477 1 272 . 1 1 42 42 GLY HA2 H 1 2.380 0.005 . 2 . . . A 42 GLY HA2 . 25477 1 273 . 1 1 42 42 GLY HA3 H 1 3.075 0.003 . 2 . . . A 42 GLY HA3 . 25477 1 274 . 1 1 43 43 LYS H H 1 7.221 0.006 . 1 . . . A 43 LYS H . 25477 1 275 . 1 1 43 43 LYS HA H 1 -0.118 0.009 . 1 . . . A 43 LYS HA . 25477 1 276 . 1 1 43 43 LYS HB2 H 1 -0.438 0.013 . 2 . . . A 43 LYS HB2 . 25477 1 277 . 1 1 43 43 LYS HB3 H 1 0.798 0.018 . 2 . . . A 43 LYS HB3 . 25477 1 278 . 1 1 43 43 LYS HG2 H 1 3.831 0.027 . 2 . . . A 43 LYS HG2 . 25477 1 279 . 1 1 43 43 LYS HE2 H 1 3.007 0.011 . 2 . . . A 43 LYS HE2 . 25477 1 280 . 1 1 43 43 LYS HE3 H 1 4.068 0.000 . 2 . . . A 43 LYS HE3 . 25477 1 281 . 1 1 43 43 LYS N N 15 121.161 0.000 . 1 . . . A 43 LYS N . 25477 1 282 . 1 1 44 44 GLU H H 1 8.811 0.005 . 1 . . . A 44 GLU H . 25477 1 283 . 1 1 44 44 GLU HA H 1 6.128 0.010 . 1 . . . A 44 GLU HA . 25477 1 284 . 1 1 44 44 GLU HB2 H 1 2.512 0.007 . 2 . . . A 44 GLU HB2 . 25477 1 285 . 1 1 44 44 GLU HB3 H 1 2.661 0.007 . 2 . . . A 44 GLU HB3 . 25477 1 286 . 1 1 44 44 GLU HG2 H 1 3.086 0.008 . 2 . . . A 44 GLU HG2 . 25477 1 287 . 1 1 44 44 GLU HG3 H 1 3.168 0.006 . 2 . . . A 44 GLU HG3 . 25477 1 288 . 1 1 44 44 GLU N N 15 117.347 0.000 . 1 . . . A 44 GLU N . 25477 1 289 . 1 1 45 45 MET H H 1 8.202 0.013 . 1 . . . A 45 MET H . 25477 1 290 . 1 1 45 45 MET HA H 1 4.195 0.007 . 1 . . . A 45 MET HA . 25477 1 291 . 1 1 45 45 MET HB2 H 1 0.813 0.009 . 2 . . . A 45 MET HB2 . 25477 1 292 . 1 1 45 45 MET HB3 H 1 1.280 0.012 . 2 . . . A 45 MET HB3 . 25477 1 293 . 1 1 45 45 MET HG2 H 1 1.814 0.013 . 2 . . . A 45 MET HG2 . 25477 1 294 . 1 1 45 45 MET HG3 H 1 2.303 0.010 . 2 . . . A 45 MET HG3 . 25477 1 295 . 1 1 45 45 MET N N 15 119.032 0.000 . 1 . . . A 45 MET N . 25477 1 296 . 1 1 46 46 ALA H H 1 7.585 0.006 . 1 . . . A 46 ALA H . 25477 1 297 . 1 1 46 46 ALA HA H 1 1.728 0.007 . 1 . . . A 46 ALA HA . 25477 1 298 . 1 1 46 46 ALA HB1 H 1 -3.380 0.008 . 1 . . . A 46 ALA HB1 . 25477 1 299 . 1 1 46 46 ALA HB2 H 1 -3.380 0.008 . 1 . . . A 46 ALA HB2 . 25477 1 300 . 1 1 46 46 ALA HB3 H 1 -3.380 0.008 . 1 . . . A 46 ALA HB3 . 25477 1 301 . 1 1 46 46 ALA N N 15 120.454 0.000 . 1 . . . A 46 ALA N . 25477 1 302 . 1 1 47 47 HIS H H 1 11.691 0.008 . 1 . . . A 47 HIS H . 25477 1 303 . 1 1 47 47 HIS HA H 1 8.274 0.011 . 1 . . . A 47 HIS HA . 25477 1 304 . 1 1 47 47 HIS HB2 H 1 15.250 0.024 . 2 . . . A 47 HIS HB2 . 25477 1 305 . 1 1 47 47 HIS HB3 H 1 18.084 0.011 . 2 . . . A 47 HIS HB3 . 25477 1 306 . 1 1 47 47 HIS N N 15 118.598 0.000 . 1 . . . A 47 HIS N . 25477 1 307 . 1 1 48 48 GLY H H 1 8.572 0.006 . 1 . . . A 48 GLY H . 25477 1 308 . 1 1 48 48 GLY HA2 H 1 5.455 0.005 . 1 . . . A 48 GLY HA2 . 25477 1 309 . 1 1 48 48 GLY HA3 H 1 4.495 0.013 . 1 . . . A 48 GLY HA3 . 25477 1 310 . 1 1 48 48 GLY N N 15 112.155 0.000 . 1 . . . A 48 GLY N . 25477 1 311 . 1 1 49 49 LYS H H 1 9.177 0.004 . 1 . . . A 49 LYS H . 25477 1 312 . 1 1 49 49 LYS HA H 1 3.317 0.007 . 1 . . . A 49 LYS HA . 25477 1 313 . 1 1 49 49 LYS HB2 H 1 1.498 0.006 . 2 . . . A 49 LYS HB2 . 25477 1 314 . 1 1 49 49 LYS HG2 H 1 1.144 0.007 . 2 . . . A 49 LYS HG2 . 25477 1 315 . 1 1 49 49 LYS HG3 H 1 1.267 0.013 . 2 . . . A 49 LYS HG3 . 25477 1 316 . 1 1 49 49 LYS HD2 H 1 1.500 0.000 . 2 . . . A 49 LYS HD2 . 25477 1 317 . 1 1 49 49 LYS N N 15 126.044 0.000 . 1 . . . A 49 LYS N . 25477 1 318 . 1 1 50 50 GLY H H 1 7.684 0.005 . 1 . . . A 50 GLY H . 25477 1 319 . 1 1 50 50 GLY HA2 H 1 1.598 0.010 . 2 . . . A 50 GLY HA2 . 25477 1 320 . 1 1 50 50 GLY HA3 H 1 1.834 0.007 . 2 . . . A 50 GLY HA3 . 25477 1 321 . 1 1 50 50 GLY N N 15 104.401 0.000 . 1 . . . A 50 GLY N . 25477 1 322 . 1 1 51 51 CYS H H 1 4.993 0.009 . 1 . . . A 51 CYS H . 25477 1 323 . 1 1 51 51 CYS HA H 1 -1.919 0.013 . 1 . . . A 51 CYS HA . 25477 1 324 . 1 1 51 51 CYS HB2 H 1 0.134 0.011 . 1 . . . A 51 CYS HB2 . 25477 1 325 . 1 1 51 51 CYS HB3 H 1 0.535 0.010 . 1 . . . A 51 CYS HB3 . 25477 1 326 . 1 1 52 52 LYS H H 1 7.729 0.006 . 1 . . . A 52 LYS H . 25477 1 327 . 1 1 52 52 LYS HA H 1 5.545 0.009 . 1 . . . A 52 LYS HA . 25477 1 328 . 1 1 52 52 LYS HB2 H 1 1.599 0.005 . 2 . . . A 52 LYS HB2 . 25477 1 329 . 1 1 52 52 LYS HB3 H 1 2.945 0.010 . 2 . . . A 52 LYS HB3 . 25477 1 330 . 1 1 52 52 LYS HD2 H 1 2.244 0.002 . 2 . . . A 52 LYS HD2 . 25477 1 331 . 1 1 52 52 LYS HD3 H 1 2.467 0.004 . 2 . . . A 52 LYS HD3 . 25477 1 332 . 1 1 52 52 LYS HE2 H 1 4.139 0.002 . 2 . . . A 52 LYS HE2 . 25477 1 333 . 1 1 52 52 LYS N N 15 121.643 0.000 . 1 . . . A 52 LYS N . 25477 1 334 . 1 1 53 53 GLY H H 1 9.306 0.005 . 1 . . . A 53 GLY H . 25477 1 335 . 1 1 53 53 GLY HA2 H 1 4.541 0.006 . 1 . . . A 53 GLY HA2 . 25477 1 336 . 1 1 53 53 GLY HA3 H 1 3.859 0.004 . 1 . . . A 53 GLY HA3 . 25477 1 337 . 1 1 53 53 GLY N N 15 104.830 0.000 . 1 . . . A 53 GLY N . 25477 1 338 . 1 1 54 54 CYS H H 1 6.172 0.008 . 1 . . . A 54 CYS H . 25477 1 339 . 1 1 54 54 CYS HA H 1 4.415 0.007 . 1 . . . A 54 CYS HA . 25477 1 340 . 1 1 54 54 CYS HB2 H 1 0.107 0.009 . 2 . . . A 54 CYS HB2 . 25477 1 341 . 1 1 54 54 CYS HB3 H 1 1.343 0.007 . 2 . . . A 54 CYS HB3 . 25477 1 342 . 1 1 54 54 CYS N N 15 118.874 0.000 . 1 . . . A 54 CYS N . 25477 1 343 . 1 1 55 55 HIS H H 1 10.083 0.009 . 1 . . . A 55 HIS H . 25477 1 344 . 1 1 55 55 HIS HA H 1 8.557 0.009 . 1 . . . A 55 HIS HA . 25477 1 345 . 1 1 55 55 HIS HB2 H 1 16.217 0.012 . 1 . . . A 55 HIS HB2 . 25477 1 346 . 1 1 55 55 HIS HB3 H 1 19.327 0.010 . 1 . . . A 55 HIS HB3 . 25477 1 347 . 1 1 55 55 HIS N N 15 119.047 0.000 . 1 . . . A 55 HIS N . 25477 1 348 . 1 1 56 56 GLU H H 1 9.871 0.006 . 1 . . . A 56 GLU H . 25477 1 349 . 1 1 56 56 GLU HA H 1 4.780 0.001 . 1 . . . A 56 GLU HA . 25477 1 350 . 1 1 56 56 GLU HB2 H 1 2.609 0.006 . 2 . . . A 56 GLU HB2 . 25477 1 351 . 1 1 56 56 GLU HB3 H 1 2.920 0.013 . 2 . . . A 56 GLU HB3 . 25477 1 352 . 1 1 56 56 GLU HG3 H 1 3.334 0.012 . 2 . . . A 56 GLU HG3 . 25477 1 353 . 1 1 56 56 GLU N N 15 119.125 0.000 . 1 . . . A 56 GLU N . 25477 1 354 . 1 1 57 57 GLU H H 1 8.337 0.006 . 1 . . . A 57 GLU H . 25477 1 355 . 1 1 57 57 GLU HA H 1 4.301 0.007 . 1 . . . A 57 GLU HA . 25477 1 356 . 1 1 57 57 GLU HB2 H 1 2.144 0.008 . 2 . . . A 57 GLU HB2 . 25477 1 357 . 1 1 57 57 GLU HB3 H 1 2.307 0.010 . 2 . . . A 57 GLU HB3 . 25477 1 358 . 1 1 57 57 GLU HG2 H 1 2.474 0.006 . 2 . . . A 57 GLU HG2 . 25477 1 359 . 1 1 57 57 GLU N N 15 120.962 0.000 . 1 . . . A 57 GLU N . 25477 1 360 . 1 1 58 58 MET H H 1 9.289 0.006 . 1 . . . A 58 MET H . 25477 1 361 . 1 1 58 58 MET HA H 1 4.270 0.006 . 1 . . . A 58 MET HA . 25477 1 362 . 1 1 58 58 MET HB2 H 1 2.201 0.012 . 2 . . . A 58 MET HB2 . 25477 1 363 . 1 1 58 58 MET HB3 H 1 2.860 0.007 . 2 . . . A 58 MET HB3 . 25477 1 364 . 1 1 58 58 MET HG2 H 1 2.444 0.004 . 2 . . . A 58 MET HG2 . 25477 1 365 . 1 1 58 58 MET N N 15 114.871 0.000 . 1 . . . A 58 MET N . 25477 1 366 . 1 1 59 59 LYS H H 1 8.157 0.005 . 1 . . . A 59 LYS H . 25477 1 367 . 1 1 59 59 LYS HA H 1 4.191 0.002 . 1 . . . A 59 LYS HA . 25477 1 368 . 1 1 59 59 LYS HB2 H 1 1.994 0.000 . 2 . . . A 59 LYS HB2 . 25477 1 369 . 1 1 59 59 LYS HB3 H 1 1.502 0.002 . 2 . . . A 59 LYS HB3 . 25477 1 370 . 1 1 59 59 LYS HE2 H 1 3.140 0.003 . 2 . . . A 59 LYS HE2 . 25477 1 371 . 1 1 59 59 LYS N N 15 115.252 0.000 . 1 . . . A 59 LYS N . 25477 1 372 . 1 1 60 60 LYS H H 1 8.245 0.005 . 1 . . . A 60 LYS H . 25477 1 373 . 1 1 60 60 LYS HA H 1 3.865 0.006 . 1 . . . A 60 LYS HA . 25477 1 374 . 1 1 60 60 LYS HB2 H 1 0.863 0.008 . 1 . . . A 60 LYS HB2 . 25477 1 375 . 1 1 60 60 LYS HB3 H 1 0.535 0.008 . 1 . . . A 60 LYS HB3 . 25477 1 376 . 1 1 60 60 LYS HG2 H 1 0.870 0.013 . 2 . . . A 60 LYS HG2 . 25477 1 377 . 1 1 60 60 LYS HG3 H 1 0.921 0.006 . 2 . . . A 60 LYS HG3 . 25477 1 378 . 1 1 60 60 LYS HD2 H 1 1.109 0.008 . 2 . . . A 60 LYS HD2 . 25477 1 379 . 1 1 60 60 LYS HE2 H 1 2.542 0.000 . 2 . . . A 60 LYS HE2 . 25477 1 380 . 1 1 60 60 LYS N N 15 118.225 0.000 . 1 . . . A 60 LYS N . 25477 1 381 . 1 1 61 61 GLY H H 1 6.115 0.006 . 1 . . . A 61 GLY H . 25477 1 382 . 1 1 61 61 GLY HA2 H 1 -2.601 0.007 . 2 . . . A 61 GLY HA2 . 25477 1 383 . 1 1 61 61 GLY N N 15 102.395 0.000 . 1 . . . A 61 GLY N . 25477 1 384 . 1 1 62 62 PRO HA H 1 4.514 0.004 . 1 . . . A 62 PRO HA . 25477 1 385 . 1 1 62 62 PRO HB2 H 1 1.378 0.005 . 2 . . . A 62 PRO HB2 . 25477 1 386 . 1 1 62 62 PRO HB3 H 1 1.764 0.012 . 2 . . . A 62 PRO HB3 . 25477 1 387 . 1 1 62 62 PRO HG2 H 1 -0.233 0.008 . 2 . . . A 62 PRO HG2 . 25477 1 388 . 1 1 62 62 PRO HD2 H 1 1.503 0.008 . 2 . . . A 62 PRO HD2 . 25477 1 389 . 1 1 63 63 THR H H 1 8.757 0.005 . 1 . . . A 63 THR H . 25477 1 390 . 1 1 63 63 THR HA H 1 4.951 0.008 . 1 . . . A 63 THR HA . 25477 1 391 . 1 1 63 63 THR HG21 H 1 2.302 0.006 . 1 . . . A 63 THR HG21 . 25477 1 392 . 1 1 63 63 THR HG22 H 1 2.302 0.006 . 1 . . . A 63 THR QG2 . 25477 1 393 . 1 1 63 63 THR HG23 H 1 2.302 0.006 . 1 . . . A 63 THR QG2 . 25477 1 394 . 1 1 63 63 THR N N 15 111.336 0.000 . 1 . . . A 63 THR N . 25477 1 395 . 1 1 64 64 LYS H H 1 8.034 0.006 . 1 . . . A 64 LYS H . 25477 1 396 . 1 1 64 64 LYS HA H 1 4.001 0.010 . 1 . . . A 64 LYS HA . 25477 1 397 . 1 1 64 64 LYS HB2 H 1 1.094 0.009 . 2 . . . A 64 LYS HB2 . 25477 1 398 . 1 1 64 64 LYS HB3 H 1 1.465 0.014 . 2 . . . A 64 LYS HB3 . 25477 1 399 . 1 1 64 64 LYS HG2 H 1 1.141 0.003 . 2 . . . A 64 LYS HG2 . 25477 1 400 . 1 1 64 64 LYS HG3 H 1 1.249 0.005 . 2 . . . A 64 LYS HG3 . 25477 1 401 . 1 1 64 64 LYS HD2 H 1 1.334 0.033 . 2 . . . A 64 LYS HD2 . 25477 1 402 . 1 1 64 64 LYS HD3 H 1 1.386 0.022 . 2 . . . A 64 LYS HD3 . 25477 1 403 . 1 1 64 64 LYS N N 15 123.633 0.000 . 1 . . . A 64 LYS N . 25477 1 404 . 1 1 65 65 CYS H H 1 6.648 0.007 . 1 . . . A 65 CYS H . 25477 1 405 . 1 1 65 65 CYS HA H 1 -1.385 0.009 . 1 . . . A 65 CYS HA . 25477 1 406 . 1 1 65 65 CYS HB2 H 1 -0.855 0.008 . 2 . . . A 65 CYS HB2 . 25477 1 407 . 1 1 65 65 CYS HB3 H 1 1.097 0.008 . 2 . . . A 65 CYS HB3 . 25477 1 408 . 1 1 65 65 CYS N N 15 116.426 0.000 . 1 . . . A 65 CYS N . 25477 1 409 . 1 1 66 66 GLY H H 1 8.344 0.007 . 1 . . . A 66 GLY H . 25477 1 410 . 1 1 66 66 GLY HA2 H 1 3.765 0.007 . 2 . . . A 66 GLY HA2 . 25477 1 411 . 1 1 66 66 GLY HA3 H 1 4.964 0.011 . 2 . . . A 66 GLY HA3 . 25477 1 412 . 1 1 66 66 GLY N N 15 102.751 0.000 . 1 . . . A 66 GLY N . 25477 1 413 . 1 1 67 67 GLU H H 1 6.998 0.006 . 1 . . . A 67 GLU H . 25477 1 414 . 1 1 67 67 GLU HA H 1 4.141 0.005 . 1 . . . A 67 GLU HA . 25477 1 415 . 1 1 67 67 GLU HB2 H 1 1.750 0.006 . 2 . . . A 67 GLU HB2 . 25477 1 416 . 1 1 67 67 GLU HB3 H 1 1.533 0.015 . 2 . . . A 67 GLU HB3 . 25477 1 417 . 1 1 67 67 GLU HG2 H 1 1.874 0.008 . 2 . . . A 67 GLU HG2 . 25477 1 418 . 1 1 67 67 GLU HG3 H 1 1.929 0.008 . 2 . . . A 67 GLU HG3 . 25477 1 419 . 1 1 67 67 GLU N N 15 115.893 0.000 . 1 . . . A 67 GLU N . 25477 1 420 . 1 1 68 68 CYS H H 1 6.644 0.007 . 1 . . . A 68 CYS H . 25477 1 421 . 1 1 68 68 CYS HA H 1 5.542 0.008 . 1 . . . A 68 CYS HA . 25477 1 422 . 1 1 68 68 CYS HB2 H 1 2.178 0.010 . 1 . . . A 68 CYS HB2 . 25477 1 423 . 1 1 68 68 CYS HB3 H 1 3.581 0.013 . 1 . . . A 68 CYS HB3 . 25477 1 424 . 1 1 68 68 CYS N N 15 113.306 0.000 . 1 . . . A 68 CYS N . 25477 1 425 . 1 1 69 69 HIS H H 1 11.614 0.009 . 1 . . . A 69 HIS H . 25477 1 426 . 1 1 69 69 HIS HA H 1 10.514 0.011 . 1 . . . A 69 HIS HA . 25477 1 427 . 1 1 69 69 HIS HB2 H 1 8.532 0.012 . 1 . . . A 69 HIS HB2 . 25477 1 428 . 1 1 69 69 HIS HB3 H 1 11.967 0.012 . 1 . . . A 69 HIS HB3 . 25477 1 429 . 1 1 69 69 HIS N N 15 121.421 0.000 . 1 . . . A 69 HIS N . 25477 1 430 . 1 1 70 70 LYS H H 1 10.287 0.004 . 1 . . . A 70 LYS H . 25477 1 431 . 1 1 70 70 LYS HA H 1 5.834 0.005 . 1 . . . A 70 LYS HA . 25477 1 432 . 1 1 70 70 LYS HB2 H 1 2.762 0.006 . 2 . . . A 70 LYS HB2 . 25477 1 433 . 1 1 70 70 LYS HB3 H 1 2.927 0.005 . 2 . . . A 70 LYS HB3 . 25477 1 434 . 1 1 70 70 LYS HG2 H 1 2.237 0.011 . 2 . . . A 70 LYS HG2 . 25477 1 435 . 1 1 70 70 LYS HD2 H 1 2.255 0.005 . 2 . . . A 70 LYS HD2 . 25477 1 436 . 1 1 70 70 LYS HE2 H 1 3.341 0.005 . 2 . . . A 70 LYS HE2 . 25477 1 437 . 1 1 70 70 LYS N N 15 127.268 0.000 . 1 . . . A 70 LYS N . 25477 1 438 . 1 1 71 71 LYS H H 1 9.072 0.010 . 1 . . . A 71 LYS H . 25477 1 439 . 1 1 71 71 LYS HA H 1 5.007 0.008 . 1 . . . A 71 LYS HA . 25477 1 440 . 1 1 71 71 LYS HB2 H 1 2.350 0.005 . 2 . . . A 71 LYS HB2 . 25477 1 441 . 1 1 71 71 LYS HB3 H 1 2.416 0.003 . 2 . . . A 71 LYS HB3 . 25477 1 442 . 1 1 71 71 LYS HG2 H 1 2.084 0.006 . 2 . . . A 71 LYS HG2 . 25477 1 443 . 1 1 71 71 LYS HD2 H 1 2.149 0.002 . 2 . . . A 71 LYS HD2 . 25477 1 444 . 1 1 71 71 LYS HE2 H 1 3.378 0.001 . 2 . . . A 71 LYS HE2 . 25477 1 445 . 1 1 71 71 LYS N N 15 129.872 0.000 . 1 . . . A 71 LYS N . 25477 1 446 . 2 2 1 1 HEC HAA1 H 1 0.862 0.024 . 2 . . . . 130 HEC HAA1 . 25477 1 447 . 2 2 1 1 HEC HAA2 H 1 3.030 0.013 . 2 . . . . 130 HEC HAA2 . 25477 1 448 . 2 2 1 1 HEC HAB H 1 0.910 0.005 . 1 . . . . 130 HEC HAB . 25477 1 449 . 2 2 1 1 HEC HAC H 1 -4.323 0.009 . 1 . . . . 130 HEC HAC . 25477 1 450 . 2 2 1 1 HEC HAD1 H 1 2.660 0.021 . 2 . . . . 130 HEC HAD1 . 25477 1 451 . 2 2 1 1 HEC HAD2 H 1 6.713 0.029 . 2 . . . . 130 HEC HAD2 . 25477 1 452 . 2 2 1 1 HEC HBA1 H 1 -0.871 0.016 . 2 . . . . 130 HEC HBA1 . 25477 1 453 . 2 2 1 1 HEC HBA2 H 1 -0.414 0.012 . 2 . . . . 130 HEC HBA2 . 25477 1 454 . 2 2 1 1 HEC HBB1 H 1 1.146 0.004 . 1 . . . . 130 HEC HBB1 . 25477 1 455 . 2 2 1 1 HEC HBC1 H 1 -3.987 0.007 . 1 . . . . 130 HEC HBC1 . 25477 1 456 . 2 2 1 1 HEC HBD1 H 1 -1.457 0.012 . 1 . . . . 130 HEC HBD1 . 25477 1 457 . 2 2 1 1 HEC HBD2 H 1 -0.312 0.009 . 1 . . . . 130 HEC HBD2 . 25477 1 458 . 2 2 1 1 HEC HHA H 1 3.714 0.007 . 1 . . . . 130 HEC HHA . 25477 1 459 . 2 2 1 1 HEC HHB H 1 -0.713 0.005 . 1 . . . . 130 HEC HHB . 25477 1 460 . 2 2 1 1 HEC HHD H 1 -1.521 0.007 . 1 . . . . 130 HEC HHD . 25477 1 461 . 2 2 1 1 HEC HMA1 H 1 15.723 0.011 . 1 . . . . 130 HEC HMA1 . 25477 1 462 . 2 2 1 1 HEC HMB1 H 1 17.782 0.005 . 1 . . . . 130 HEC HMB1 . 25477 1 463 . 2 2 1 1 HEC HMC1 H 1 10.407 0.007 . 1 . . . . 130 HEC HMC1 . 25477 1 464 . 2 2 1 1 HEC HMD1 H 1 20.595 0.017 . 1 . . . . 130 HEC HMD1 . 25477 1 465 . 3 2 1 1 HEC HAA1 H 1 3.685 0.010 . 2 . . . . 154 HEC HAA1 . 25477 1 466 . 3 2 1 1 HEC HAA2 H 1 5.540 0.014 . 2 . . . . 154 HEC HAA2 . 25477 1 467 . 3 2 1 1 HEC HAB H 1 -2.546 0.012 . 1 . . . . 154 HEC HAB . 25477 1 468 . 3 2 1 1 HEC HAC H 1 -0.871 0.005 . 1 . . . . 154 HEC HAC . 25477 1 469 . 3 2 1 1 HEC HAD1 H 1 16.042 0.029 . 2 . . . . 154 HEC HAD1 . 25477 1 470 . 3 2 1 1 HEC HAD2 H 1 19.916 0.006 . 2 . . . . 154 HEC HAD2 . 25477 1 471 . 3 2 1 1 HEC HBA1 H 1 -2.072 0.011 . 2 . . . . 154 HEC HBA1 . 25477 1 472 . 3 2 1 1 HEC HBA2 H 1 -1.969 0.012 . 2 . . . . 154 HEC HBA2 . 25477 1 473 . 3 2 1 1 HEC HBB1 H 1 -2.233 0.008 . 1 . . . . 154 HEC HBB1 . 25477 1 474 . 3 2 1 1 HEC HBC1 H 1 -1.017 0.006 . 1 . . . . 154 HEC HBC1 . 25477 1 475 . 3 2 1 1 HEC HBD1 H 1 -1.753 0.008 . 2 . . . . 154 HEC HBD1 . 25477 1 476 . 3 2 1 1 HEC HBD2 H 1 -0.688 0.008 . 2 . . . . 154 HEC HBD2 . 25477 1 477 . 3 2 1 1 HEC HHA H 1 -1.675 0.005 . 1 . . . . 154 HEC HHA . 25477 1 478 . 3 2 1 1 HEC HHB H 1 8.078 0.005 . 1 . . . . 154 HEC HHB . 25477 1 479 . 3 2 1 1 HEC HHC H 1 -3.913 0.027 . 1 . . . . 154 HEC HHC . 25477 1 480 . 3 2 1 1 HEC HHD H 1 11.378 0.004 . 1 . . . . 154 HEC HHD . 25477 1 481 . 3 2 1 1 HEC HMA1 H 1 0.654 0.008 . 1 . . . . 154 HEC HMA1 . 25477 1 482 . 3 2 1 1 HEC HMB1 H 1 12.145 0.009 . 1 . . . . 154 HEC HMB1 . 25477 1 483 . 3 2 1 1 HEC HMC1 H 1 18.001 0.006 . 1 . . . . 154 HEC HMC1 . 25477 1 484 . 3 2 1 1 HEC HMD1 H 1 13.155 0.011 . 1 . . . . 154 HEC HMD1 . 25477 1 485 . 4 2 1 1 HEC HAA1 H 1 2.877 0.013 . 2 . . . . 168 HEC HAA1 . 25477 1 486 . 4 2 1 1 HEC HAA2 H 1 4.147 0.036 . 2 . . . . 168 HEC HAA2 . 25477 1 487 . 4 2 1 1 HEC HAB H 1 0.730 0.009 . 1 . . . . 168 HEC HAB . 25477 1 488 . 4 2 1 1 HEC HAC H 1 -0.062 0.016 . 1 . . . . 168 HEC HAC . 25477 1 489 . 4 2 1 1 HEC HAD1 H 1 2.435 0.017 . 2 . . . . 168 HEC HAD1 . 25477 1 490 . 4 2 1 1 HEC HAD2 H 1 6.471 0.011 . 2 . . . . 168 HEC HAD2 . 25477 1 491 . 4 2 1 1 HEC HBA1 H 1 -0.853 0.007 . 2 . . . . 168 HEC HBA1 . 25477 1 492 . 4 2 1 1 HEC HBA2 H 1 -0.257 0.009 . 2 . . . . 168 HEC HBA2 . 25477 1 493 . 4 2 1 1 HEC HBB1 H 1 2.048 0.006 . 1 . . . . 168 HEC HBB1 . 25477 1 494 . 4 2 1 1 HEC HBC1 H 1 1.623 0.015 . 1 . . . . 168 HEC HBC1 . 25477 1 495 . 4 2 1 1 HEC HBD1 H 1 0.126 0.007 . 1 . . . . 168 HEC HBD1 . 25477 1 496 . 4 2 1 1 HEC HBD2 H 1 0.466 0.009 . 1 . . . . 168 HEC HBD2 . 25477 1 497 . 4 2 1 1 HEC HHA H 1 0.769 0.006 . 1 . . . . 168 HEC HHA . 25477 1 498 . 4 2 1 1 HEC HHB H 1 -1.612 0.002 . 1 . . . . 168 HEC HHB . 25477 1 499 . 4 2 1 1 HEC HHC H 1 2.249 0.005 . 1 . . . . 168 HEC HHC . 25477 1 500 . 4 2 1 1 HEC HHD H 1 1.212 0.003 . 1 . . . . 168 HEC HHD . 25477 1 501 . 4 2 1 1 HEC HMA1 H 1 14.578 0.032 . 1 . . . . 168 HEC HMA1 . 25477 1 502 . 4 2 1 1 HEC HMB1 H 1 14.484 0.022 . 1 . . . . 168 HEC HMB1 . 25477 1 503 . 4 2 1 1 HEC HMC1 H 1 10.943 0.006 . 1 . . . . 168 HEC HMC1 . 25477 1 504 . 4 2 1 1 HEC HMD1 H 1 17.414 0.011 . 1 . . . . 168 HEC HMD1 . 25477 1 stop_ save_