################################### # 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 27987 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-15N HSQC' . . . 27987 1 2 '3D HNCA' . . . 27987 1 3 '3D HNCACB' . . . 27987 1 4 '3D HN(CO)CA' . . . 27987 1 5 '3D HN(CO)CACB' . . . 27987 1 6 '2D 1H-13C HSQC' . . . 27987 1 7 '3D HCCH-TOCSY' . . . 27987 1 8 '2D 1H-1H NOESY' . . . 27987 1 9 '2D 1H-1H TOCSY' . . . 27987 1 10 '2D 1H-13C HSQC' . . . 27987 1 11 '2D 1H-1H TOCSY' . . . 27987 1 12 '2D 1H-1H NOESY' . . . 27987 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 5.341 0.001 . 1 . . . . . 1 ALA HA . 27987 1 2 . 1 . 1 1 1 ALA HB1 H 1 2.775 0.002 . 1 . . . . . 1 ALA HB . 27987 1 3 . 1 . 1 1 1 ALA HB2 H 1 2.775 0.002 . 1 . . . . . 1 ALA HB . 27987 1 4 . 1 . 1 1 1 ALA HB3 H 1 2.775 0.002 . 1 . . . . . 1 ALA HB . 27987 1 5 . 1 . 1 1 1 ALA CA C 13 53.351 0.003 . 1 . . . . . 1 ALA CA . 27987 1 6 . 1 . 1 1 1 ALA CB C 13 20.630 0.056 . 1 . . . . . 1 ALA CB . 27987 1 7 . 1 . 1 2 2 ASP HA H 1 7.531 0.000 . 1 . . . . . 2 ASP HA . 27987 1 8 . 1 . 1 2 2 ASP HB2 H 1 4.176 0.001 . 2 . . . . . 2 ASP HB2 . 27987 1 9 . 1 . 1 2 2 ASP HB3 H 1 4.521 0.001 . 2 . . . . . 2 ASP HB3 . 27987 1 10 . 1 . 1 2 2 ASP CA C 13 59.003 0.024 . 1 . . . . . 2 ASP CA . 27987 1 11 . 1 . 1 2 2 ASP CB C 13 42.457 0.041 . 1 . . . . . 2 ASP CB . 27987 1 12 . 1 . 1 3 3 GLU H H 1 9.907 0.002 . 1 . . . . . 3 GLU HN . 27987 1 13 . 1 . 1 3 3 GLU HA H 1 6.912 0.001 . 1 . . . . . 3 GLU HA . 27987 1 14 . 1 . 1 3 3 GLU HB2 H 1 3.046 0.005 . 2 . . . . . 3 GLU HB2 . 27987 1 15 . 1 . 1 3 3 GLU HG2 H 1 3.095 0.001 . 2 . . . . . 3 GLU HG2 . 27987 1 16 . 1 . 1 3 3 GLU HG3 H 1 3.146 0.000 . 2 . . . . . 3 GLU HG3 . 27987 1 17 . 1 . 1 3 3 GLU CA C 13 57.179 0.018 . 1 . . . . . 3 GLU CA . 27987 1 18 . 1 . 1 3 3 GLU CB C 13 33.625 0.038 . 1 . . . . . 3 GLU CB . 27987 1 19 . 1 . 1 3 3 GLU CG C 13 37.601 0.002 . 1 . . . . . 3 GLU CG . 27987 1 20 . 1 . 1 3 3 GLU N N 15 122.524 0.006 . 1 . . . . . 3 GLU N . 27987 1 21 . 1 . 1 4 4 LEU H H 1 10.126 0.001 . 1 . . . . . 4 LEU HN . 27987 1 22 . 1 . 1 4 4 LEU HA H 1 5.606 0.001 . 1 . . . . . 4 LEU HA . 27987 1 23 . 1 . 1 4 4 LEU HB2 H 1 1.625 0.002 . 2 . . . . . 4 LEU HB2 . 27987 1 24 . 1 . 1 4 4 LEU HB3 H 1 2.459 0.001 . 2 . . . . . 4 LEU HB3 . 27987 1 25 . 1 . 1 4 4 LEU HG H 1 4.267 0.001 . 1 . . . . . 4 LEU HG . 27987 1 26 . 1 . 1 4 4 LEU HD11 H 1 1.936 0.001 . 2 . . . . . 4 LEU QD1 . 27987 1 27 . 1 . 1 4 4 LEU HD12 H 1 1.936 0.001 . 2 . . . . . 4 LEU QD1 . 27987 1 28 . 1 . 1 4 4 LEU HD13 H 1 1.936 0.001 . 2 . . . . . 4 LEU QD1 . 27987 1 29 . 1 . 1 4 4 LEU HD21 H 1 2.574 0.002 . 2 . . . . . 4 LEU QD2 . 27987 1 30 . 1 . 1 4 4 LEU HD22 H 1 2.574 0.002 . 2 . . . . . 4 LEU QD2 . 27987 1 31 . 1 . 1 4 4 LEU HD23 H 1 2.574 0.002 . 2 . . . . . 4 LEU QD2 . 27987 1 32 . 1 . 1 4 4 LEU CA C 13 54.351 0.019 . 1 . . . . . 4 LEU CA . 27987 1 33 . 1 . 1 4 4 LEU CB C 13 46.673 0.040 . 1 . . . . . 4 LEU CB . 27987 1 34 . 1 . 1 4 4 LEU CG C 13 29.484 0.005 . 1 . . . . . 4 LEU CG . 27987 1 35 . 1 . 1 4 4 LEU CD1 C 13 24.851 0.026 . 2 . . . . . 4 LEU CD1 . 27987 1 36 . 1 . 1 4 4 LEU CD2 C 13 26.675 0.023 . 2 . . . . . 4 LEU CD2 . 27987 1 37 . 1 . 1 4 4 LEU N N 15 125.501 0.009 . 1 . . . . . 4 LEU N . 27987 1 38 . 1 . 1 5 5 THR H H 1 8.912 0.002 . 1 . . . . . 5 THR HN . 27987 1 39 . 1 . 1 5 5 THR HA H 1 5.230 0.001 . 1 . . . . . 5 THR HA . 27987 1 40 . 1 . 1 5 5 THR HB H 1 4.254 0.003 . 1 . . . . . 5 THR HB . 27987 1 41 . 1 . 1 5 5 THR HG21 H 1 1.559 0.002 . 1 . . . . . 5 THR QG2 . 27987 1 42 . 1 . 1 5 5 THR HG22 H 1 1.559 0.002 . 1 . . . . . 5 THR QG2 . 27987 1 43 . 1 . 1 5 5 THR HG23 H 1 1.559 0.002 . 1 . . . . . 5 THR QG2 . 27987 1 44 . 1 . 1 5 5 THR CA C 13 62.341 0.077 . 1 . . . . . 5 THR CA . 27987 1 45 . 1 . 1 5 5 THR CB C 13 70.682 0.032 . 1 . . . . . 5 THR CB . 27987 1 46 . 1 . 1 5 5 THR CG2 C 13 22.060 0.017 . 1 . . . . . 5 THR CG2 . 27987 1 47 . 1 . 1 5 5 THR N N 15 118.018 0.017 . 1 . . . . . 5 THR N . 27987 1 48 . 1 . 1 6 6 PHE H H 1 9.581 0.002 . 1 . . . . . 6 PHE HN . 27987 1 49 . 1 . 1 6 6 PHE HA H 1 5.134 0.001 . 1 . . . . . 6 PHE HA . 27987 1 50 . 1 . 1 6 6 PHE HB2 H 1 2.736 0.002 . 2 . . . . . 6 PHE HB2 . 27987 1 51 . 1 . 1 6 6 PHE HB3 H 1 3.101 0.001 . 2 . . . . . 6 PHE HB3 . 27987 1 52 . 1 . 1 6 6 PHE HD2 H 1 6.487 0.002 . 3 . . . . . 6 PHE HD2 . 27987 1 53 . 1 . 1 6 6 PHE HE2 H 1 5.821 0.018 . 3 . . . . . 6 PHE HE2 . 27987 1 54 . 1 . 1 6 6 PHE HZ H 1 5.192 0.000 . 1 . . . . . 6 PHE HZ . 27987 1 55 . 1 . 1 6 6 PHE CA C 13 54.976 0.016 . 1 . . . . . 6 PHE CA . 27987 1 56 . 1 . 1 6 6 PHE CB C 13 39.456 0.016 . 1 . . . . . 6 PHE CB . 27987 1 57 . 1 . 1 6 6 PHE CD2 C 13 130.680 0.092 . 3 . . . . . 6 PHE CD2 . 27987 1 58 . 1 . 1 6 6 PHE CE2 C 13 130.581 0.038 . 3 . . . . . 6 PHE CE2 . 27987 1 59 . 1 . 1 6 6 PHE CZ C 13 128.213 0.000 . 1 . . . . . 6 PHE CZ . 27987 1 60 . 1 . 1 6 6 PHE N N 15 128.311 0.011 . 1 . . . . . 6 PHE N . 27987 1 61 . 1 . 1 7 7 LYS H H 1 8.947 0.001 . 1 . . . . . 7 LYS HN . 27987 1 62 . 1 . 1 7 7 LYS HA H 1 5.148 0.000 . 1 . . . . . 7 LYS HA . 27987 1 63 . 1 . 1 7 7 LYS HB2 H 1 1.845 0.001 . 2 . . . . . 7 LYS HB2 . 27987 1 64 . 1 . 1 7 7 LYS HB3 H 1 1.940 0.001 . 2 . . . . . 7 LYS HB3 . 27987 1 65 . 1 . 1 7 7 LYS HG2 H 1 1.725 0.001 . 2 . . . . . 7 LYS HG2 . 27987 1 66 . 1 . 1 7 7 LYS HG3 H 1 1.741 0.001 . 2 . . . . . 7 LYS HG3 . 27987 1 67 . 1 . 1 7 7 LYS HD2 H 1 1.894 0.000 . 2 . . . . . 7 LYS HD2 . 27987 1 68 . 1 . 1 7 7 LYS HE2 H 1 3.164 0.001 . 2 . . . . . 7 LYS HE2 . 27987 1 69 . 1 . 1 7 7 LYS HE3 H 1 3.259 0.000 . 2 . . . . . 7 LYS HE3 . 27987 1 70 . 1 . 1 7 7 LYS CA C 13 56.144 0.030 . 1 . . . . . 7 LYS CA . 27987 1 71 . 1 . 1 7 7 LYS CB C 13 32.132 0.027 . 1 . . . . . 7 LYS CB . 27987 1 72 . 1 . 1 7 7 LYS CG C 13 24.625 0.022 . 1 . . . . . 7 LYS CG . 27987 1 73 . 1 . 1 7 7 LYS CD C 13 28.444 0.026 . 1 . . . . . 7 LYS CD . 27987 1 74 . 1 . 1 7 7 LYS CE C 13 41.921 0.037 . 1 . . . . . 7 LYS CE . 27987 1 75 . 1 . 1 7 7 LYS N N 15 125.827 0.026 . 1 . . . . . 7 LYS N . 27987 1 76 . 1 . 1 8 8 ALA H H 1 9.852 0.001 . 1 . . . . . 8 ALA HN . 27987 1 77 . 1 . 1 8 8 ALA HA H 1 4.868 0.003 . 1 . . . . . 8 ALA HA . 27987 1 78 . 1 . 1 8 8 ALA HB1 H 1 4.399 0.001 . 1 . . . . . 8 ALA HB . 27987 1 79 . 1 . 1 8 8 ALA HB2 H 1 4.399 0.001 . 1 . . . . . 8 ALA HB . 27987 1 80 . 1 . 1 8 8 ALA HB3 H 1 4.399 0.001 . 1 . . . . . 8 ALA HB . 27987 1 81 . 1 . 1 8 8 ALA CA C 13 52.667 0.017 . 1 . . . . . 8 ALA CA . 27987 1 82 . 1 . 1 8 8 ALA CB C 13 24.327 0.032 . 1 . . . . . 8 ALA CB . 27987 1 83 . 1 . 1 8 8 ALA N N 15 124.714 0.020 . 1 . . . . . 8 ALA N . 27987 1 84 . 1 . 1 9 9 LYS H H 1 10.087 0.001 . 1 . . . . . 9 LYS HN . 27987 1 85 . 1 . 1 9 9 LYS HA H 1 4.454 0.003 . 1 . . . . . 9 LYS HA . 27987 1 86 . 1 . 1 9 9 LYS HB2 H 1 1.629 0.000 . 2 . . . . . 9 LYS HB2 . 27987 1 87 . 1 . 1 9 9 LYS HB3 H 1 1.651 0.000 . 2 . . . . . 9 LYS HB3 . 27987 1 88 . 1 . 1 9 9 LYS HG2 H 1 1.084 0.003 . 2 . . . . . 9 LYS HG2 . 27987 1 89 . 1 . 1 9 9 LYS HG3 H 1 1.214 0.001 . 2 . . . . . 9 LYS HG3 . 27987 1 90 . 1 . 1 9 9 LYS HD2 H 1 1.316 0.001 . 2 . . . . . 9 LYS HD2 . 27987 1 91 . 1 . 1 9 9 LYS HE2 H 1 2.476 0.001 . 2 . . . . . 9 LYS HE2 . 27987 1 92 . 1 . 1 9 9 LYS HE3 H 1 2.530 0.001 . 2 . . . . . 9 LYS HE3 . 27987 1 93 . 1 . 1 9 9 LYS CA C 13 59.296 0.016 . 1 . . . . . 9 LYS CA . 27987 1 94 . 1 . 1 9 9 LYS CB C 13 31.939 0.006 . 1 . . . . . 9 LYS CB . 27987 1 95 . 1 . 1 9 9 LYS CG C 13 24.233 0.014 . 1 . . . . . 9 LYS CG . 27987 1 96 . 1 . 1 9 9 LYS CD C 13 28.828 0.027 . 1 . . . . . 9 LYS CD . 27987 1 97 . 1 . 1 9 9 LYS CE C 13 41.493 0.014 . 1 . . . . . 9 LYS CE . 27987 1 98 . 1 . 1 9 9 LYS N N 15 125.283 0.019 . 1 . . . . . 9 LYS N . 27987 1 99 . 1 . 1 10 10 ASN H H 1 10.080 0.001 . 1 . . . . . 10 ASN HN . 27987 1 100 . 1 . 1 10 10 ASN HA H 1 5.349 0.001 . 1 . . . . . 10 ASN HA . 27987 1 101 . 1 . 1 10 10 ASN HB2 H 1 2.036 0.001 . 2 . . . . . 10 ASN HB2 . 27987 1 102 . 1 . 1 10 10 ASN HB3 H 1 3.254 0.000 . 2 . . . . . 10 ASN HB3 . 27987 1 103 . 1 . 1 10 10 ASN CA C 13 54.065 0.015 . 1 . . . . . 10 ASN CA . 27987 1 104 . 1 . 1 10 10 ASN CB C 13 36.212 0.009 . 1 . . . . . 10 ASN CB . 27987 1 105 . 1 . 1 10 10 ASN N N 15 114.834 0.025 . 1 . . . . . 10 ASN N . 27987 1 106 . 1 . 1 11 11 GLY H H 1 9.729 0.002 . 1 . . . . . 11 GLY HN . 27987 1 107 . 1 . 1 11 11 GLY HA2 H 1 5.466 0.001 . 2 . . . . . 11 GLY HA1 . 27987 1 108 . 1 . 1 11 11 GLY HA3 H 1 7.128 0.002 . 2 . . . . . 11 GLY HA2 . 27987 1 109 . 1 . 1 11 11 GLY CA C 13 47.812 0.004 . 1 . . . . . 11 GLY CA . 27987 1 110 . 1 . 1 11 11 GLY N N 15 113.405 0.024 . 1 . . . . . 11 GLY N . 27987 1 111 . 1 . 1 12 12 ASP H H 1 10.326 0.001 . 1 . . . . . 12 ASP HN . 27987 1 112 . 1 . 1 12 12 ASP HA H 1 7.116 0.000 . 1 . . . . . 12 ASP HA . 27987 1 113 . 1 . 1 12 12 ASP HB2 H 1 3.552 0.002 . 2 . . . . . 12 ASP HB2 . 27987 1 114 . 1 . 1 12 12 ASP HB3 H 1 3.894 0.000 . 2 . . . . . 12 ASP HB3 . 27987 1 115 . 1 . 1 12 12 ASP CA C 13 57.979 0.020 . 1 . . . . . 12 ASP CA . 27987 1 116 . 1 . 1 12 12 ASP CB C 13 42.479 0.031 . 1 . . . . . 12 ASP CB . 27987 1 117 . 1 . 1 12 12 ASP N N 15 133.360 0.008 . 1 . . . . . 12 ASP N . 27987 1 118 . 1 . 1 13 13 VAL H H 1 10.712 0.002 . 1 . . . . . 13 VAL HN . 27987 1 119 . 1 . 1 13 13 VAL HA H 1 6.659 0.000 . 1 . . . . . 13 VAL HA . 27987 1 120 . 1 . 1 13 13 VAL HB H 1 3.151 0.000 . 1 . . . . . 13 VAL HB . 27987 1 121 . 1 . 1 13 13 VAL HG11 H 1 0.804 0.000 . 2 . . . . . 13 VAL QG1 . 27987 1 122 . 1 . 1 13 13 VAL HG12 H 1 0.804 0.000 . 2 . . . . . 13 VAL QG1 . 27987 1 123 . 1 . 1 13 13 VAL HG13 H 1 0.804 0.000 . 2 . . . . . 13 VAL QG1 . 27987 1 124 . 1 . 1 13 13 VAL HG21 H 1 5.978 0.002 . 2 . . . . . 13 VAL QG2 . 27987 1 125 . 1 . 1 13 13 VAL HG22 H 1 5.978 0.002 . 2 . . . . . 13 VAL QG2 . 27987 1 126 . 1 . 1 13 13 VAL HG23 H 1 5.978 0.002 . 2 . . . . . 13 VAL QG2 . 27987 1 127 . 1 . 1 13 13 VAL CA C 13 62.192 0.042 . 1 . . . . . 13 VAL CA . 27987 1 128 . 1 . 1 13 13 VAL CB C 13 36.505 0.010 . 1 . . . . . 13 VAL CB . 27987 1 129 . 1 . 1 13 13 VAL CG1 C 13 21.479 0.030 . 2 . . . . . 13 VAL CG1 . 27987 1 130 . 1 . 1 13 13 VAL CG2 C 13 22.345 0.031 . 2 . . . . . 13 VAL CG2 . 27987 1 131 . 1 . 1 13 13 VAL N N 15 121.810 0.048 . 1 . . . . . 13 VAL N . 27987 1 132 . 1 . 1 14 14 LYS H H 1 9.718 0.001 . 1 . . . . . 14 LYS HN . 27987 1 133 . 1 . 1 14 14 LYS HA H 1 5.159 0.001 . 1 . . . . . 14 LYS HA . 27987 1 134 . 1 . 1 14 14 LYS HB2 H 1 2.160 0.000 . 2 . . . . . 14 LYS HB2 . 27987 1 135 . 1 . 1 14 14 LYS HB3 H 1 2.188 0.000 . 2 . . . . . 14 LYS HB3 . 27987 1 136 . 1 . 1 14 14 LYS HG2 H 1 1.907 0.001 . 2 . . . . . 14 LYS HG2 . 27987 1 137 . 1 . 1 14 14 LYS HG3 H 1 2.029 0.000 . 2 . . . . . 14 LYS HG3 . 27987 1 138 . 1 . 1 14 14 LYS HD2 H 1 2.063 0.000 . 2 . . . . . 14 LYS HD2 . 27987 1 139 . 1 . 1 14 14 LYS HD3 H 1 2.121 0.000 . 2 . . . . . 14 LYS HD3 . 27987 1 140 . 1 . 1 14 14 LYS HE2 H 1 3.386 0.000 . 2 . . . . . 14 LYS HE2 . 27987 1 141 . 1 . 1 14 14 LYS CA C 13 56.894 0.019 . 1 . . . . . 14 LYS CA . 27987 1 142 . 1 . 1 14 14 LYS CB C 13 33.051 0.033 . 1 . . . . . 14 LYS CB . 27987 1 143 . 1 . 1 14 14 LYS CG C 13 25.363 0.033 . 1 . . . . . 14 LYS CG . 27987 1 144 . 1 . 1 14 14 LYS CD C 13 29.274 0.031 . 1 . . . . . 14 LYS CD . 27987 1 145 . 1 . 1 14 14 LYS CE C 13 42.349 0.003 . 1 . . . . . 14 LYS CE . 27987 1 146 . 1 . 1 14 14 LYS N N 15 129.577 0.022 . 1 . . . . . 14 LYS N . 27987 1 147 . 1 . 1 15 15 PHE H H 1 9.772 0.001 . 1 . . . . . 15 PHE HN . 27987 1 148 . 1 . 1 15 15 PHE HA H 1 5.819 0.001 . 1 . . . . . 15 PHE HA . 27987 1 149 . 1 . 1 15 15 PHE HB2 H 1 2.962 0.001 . 2 . . . . . 15 PHE HB2 . 27987 1 150 . 1 . 1 15 15 PHE HB3 H 1 3.473 0.001 . 2 . . . . . 15 PHE HB3 . 27987 1 151 . 1 . 1 15 15 PHE CA C 13 52.696 0.035 . 1 . . . . . 15 PHE CA . 27987 1 152 . 1 . 1 15 15 PHE CB C 13 43.156 0.018 . 1 . . . . . 15 PHE CB . 27987 1 153 . 1 . 1 15 15 PHE N N 15 122.407 0.012 . 1 . . . . . 15 PHE N . 27987 1 154 . 1 . 1 16 16 PRO HA H 1 6.899 0.001 . 1 . . . . . 16 PRO HA . 27987 1 155 . 1 . 1 16 16 PRO HB2 H 1 3.319 0.002 . 2 . . . . . 16 PRO HB2 . 27987 1 156 . 1 . 1 16 16 PRO HB3 H 1 4.192 0.002 . 2 . . . . . 16 PRO HB3 . 27987 1 157 . 1 . 1 16 16 PRO HG2 H 1 1.972 0.000 . 2 . . . . . 16 PRO HG2 . 27987 1 158 . 1 . 1 16 16 PRO HG3 H 1 3.572 0.005 . 2 . . . . . 16 PRO HG3 . 27987 1 159 . 1 . 1 16 16 PRO HD2 H 1 4.151 0.001 . 2 . . . . . 16 PRO HD2 . 27987 1 160 . 1 . 1 16 16 PRO HD3 H 1 4.293 0.003 . 2 . . . . . 16 PRO HD3 . 27987 1 161 . 1 . 1 16 16 PRO CA C 13 64.071 0.038 . 1 . . . . . 16 PRO CA . 27987 1 162 . 1 . 1 16 16 PRO CB C 13 31.124 0.037 . 1 . . . . . 16 PRO CB . 27987 1 163 . 1 . 1 16 16 PRO CG C 13 28.261 0.004 . 1 . . . . . 16 PRO CG . 27987 1 164 . 1 . 1 16 16 PRO CD C 13 52.240 0.027 . 1 . . . . . 16 PRO CD . 27987 1 165 . 1 . 1 17 17 HIS H H 1 11.602 0.001 . 1 . . . . . 17 HIS HN . 27987 1 166 . 1 . 1 17 17 HIS HA H 1 8.398 0.002 . 1 . . . . . 17 HIS HA . 27987 1 167 . 1 . 1 17 17 HIS HB2 H 1 12.287 0.004 . 2 . . . . . 17 HIS HB2 . 27987 1 168 . 1 . 1 17 17 HIS HB3 H 1 17.696 0.000 . 2 . . . . . 17 HIS HB3 . 27987 1 169 . 1 . 1 17 17 HIS CA C 13 73.593 0.048 . 1 . . . . . 17 HIS CA . 27987 1 170 . 1 . 1 17 17 HIS CB C 13 27.579 0.021 . 1 . . . . . 17 HIS CB . 27987 1 171 . 1 . 1 17 17 HIS N N 15 138.806 0.025 . 1 . . . . . 17 HIS N . 27987 1 172 . 1 . 1 18 18 LYS H H 1 12.836 0.001 . 1 . . . . . 18 LYS HN . 27987 1 173 . 1 . 1 18 18 LYS HA H 1 7.325 0.000 . 1 . . . . . 18 LYS HA . 27987 1 174 . 1 . 1 18 18 LYS HB2 H 1 4.112 0.001 . 2 . . . . . 18 LYS HB2 . 27987 1 175 . 1 . 1 18 18 LYS HG2 H 1 2.794 0.002 . 2 . . . . . 18 LYS HG2 . 27987 1 176 . 1 . 1 18 18 LYS HG3 H 1 2.972 0.003 . 2 . . . . . 18 LYS HG3 . 27987 1 177 . 1 . 1 18 18 LYS HD2 H 1 2.943 0.002 . 2 . . . . . 18 LYS HD2 . 27987 1 178 . 1 . 1 18 18 LYS HD3 H 1 3.031 0.001 . 2 . . . . . 18 LYS HD3 . 27987 1 179 . 1 . 1 18 18 LYS HE2 H 1 3.895 0.002 . 2 . . . . . 18 LYS HE2 . 27987 1 180 . 1 . 1 18 18 LYS CA C 13 62.943 0.023 . 1 . . . . . 18 LYS CA . 27987 1 181 . 1 . 1 18 18 LYS CB C 13 33.514 0.036 . 1 . . . . . 18 LYS CB . 27987 1 182 . 1 . 1 18 18 LYS CG C 13 26.138 0.035 . 1 . . . . . 18 LYS CG . 27987 1 183 . 1 . 1 18 18 LYS CD C 13 30.005 0.022 . 1 . . . . . 18 LYS CD . 27987 1 184 . 1 . 1 18 18 LYS CE C 13 43.092 0.036 . 1 . . . . . 18 LYS CE . 27987 1 185 . 1 . 1 18 18 LYS N N 15 127.202 0.053 . 1 . . . . . 18 LYS N . 27987 1 186 . 1 . 1 19 19 LYS H H 1 10.947 0.001 . 1 . . . . . 19 LYS HN . 27987 1 187 . 1 . 1 19 19 LYS HA H 1 5.536 0.001 . 1 . . . . . 19 LYS HA . 27987 1 188 . 1 . 1 19 19 LYS HB2 H 1 3.328 0.001 . 2 . . . . . 19 LYS HB2 . 27987 1 189 . 1 . 1 19 19 LYS HB3 H 1 3.786 0.001 . 2 . . . . . 19 LYS HB3 . 27987 1 190 . 1 . 1 19 19 LYS HG2 H 1 2.120 0.001 . 2 . . . . . 19 LYS HG2 . 27987 1 191 . 1 . 1 19 19 LYS HG3 H 1 2.277 0.001 . 2 . . . . . 19 LYS HG3 . 27987 1 192 . 1 . 1 19 19 LYS HD2 H 1 1.694 0.001 . 2 . . . . . 19 LYS HD2 . 27987 1 193 . 1 . 1 19 19 LYS HD3 H 1 1.896 0.000 . 2 . . . . . 19 LYS HD3 . 27987 1 194 . 1 . 1 19 19 LYS HE2 H 1 2.608 0.002 . 2 . . . . . 19 LYS HE2 . 27987 1 195 . 1 . 1 19 19 LYS HE3 H 1 2.760 0.001 . 2 . . . . . 19 LYS HE3 . 27987 1 196 . 1 . 1 19 19 LYS CA C 13 60.909 0.024 . 1 . . . . . 19 LYS CA . 27987 1 197 . 1 . 1 19 19 LYS CB C 13 33.566 0.039 . 1 . . . . . 19 LYS CB . 27987 1 198 . 1 . 1 19 19 LYS CG C 13 25.353 0.013 . 1 . . . . . 19 LYS CG . 27987 1 199 . 1 . 1 19 19 LYS CD C 13 29.031 0.034 . 1 . . . . . 19 LYS CD . 27987 1 200 . 1 . 1 19 19 LYS CE C 13 41.727 0.037 . 1 . . . . . 19 LYS CE . 27987 1 201 . 1 . 1 19 19 LYS N N 15 121.713 0.048 . 1 . . . . . 19 LYS N . 27987 1 202 . 1 . 1 20 20 HIS H H 1 11.836 0.002 . 1 . . . . . 20 HIS HN . 27987 1 203 . 1 . 1 20 20 HIS HA H 1 7.676 0.001 . 1 . . . . . 20 HIS HA . 27987 1 204 . 1 . 1 20 20 HIS HB2 H 1 5.881 0.003 . 2 . . . . . 20 HIS HB2 . 27987 1 205 . 1 . 1 20 20 HIS HB3 H 1 8.159 0.002 . 2 . . . . . 20 HIS HB3 . 27987 1 206 . 1 . 1 20 20 HIS CA C 13 81.378 0.038 . 1 . . . . . 20 HIS CA . 27987 1 207 . 1 . 1 20 20 HIS CB C 13 20.363 0.027 . 1 . . . . . 20 HIS CB . 27987 1 208 . 1 . 1 20 20 HIS N N 15 116.185 0.026 . 1 . . . . . 20 HIS N . 27987 1 209 . 1 . 1 21 21 GLN H H 1 10.287 0.001 . 1 . . . . . 21 GLN HN . 27987 1 210 . 1 . 1 21 21 GLN HA H 1 3.080 0.001 . 1 . . . . . 21 GLN HA . 27987 1 211 . 1 . 1 21 21 GLN HB2 H 1 2.017 0.003 . 2 . . . . . 21 GLN HB2 . 27987 1 212 . 1 . 1 21 21 GLN HB3 H 1 3.641 0.001 . 2 . . . . . 21 GLN HB3 . 27987 1 213 . 1 . 1 21 21 GLN HG2 H 1 0.208 0.002 . 2 . . . . . 21 GLN HG2 . 27987 1 214 . 1 . 1 21 21 GLN CA C 13 59.264 0.028 . 1 . . . . . 21 GLN CA . 27987 1 215 . 1 . 1 21 21 GLN CB C 13 27.027 0.028 . 1 . . . . . 21 GLN CB . 27987 1 216 . 1 . 1 21 21 GLN CG C 13 33.532 0.019 . 1 . . . . . 21 GLN CG . 27987 1 217 . 1 . 1 21 21 GLN N N 15 122.145 0.041 . 1 . . . . . 21 GLN N . 27987 1 218 . 1 . 1 22 22 GLN H H 1 8.530 0.001 . 1 . . . . . 22 GLN HN . 27987 1 219 . 1 . 1 22 22 GLN HA H 1 4.347 0.002 . 1 . . . . . 22 GLN HA . 27987 1 220 . 1 . 1 22 22 GLN HB2 H 1 2.597 0.001 . 2 . . . . . 22 GLN HB2 . 27987 1 221 . 1 . 1 22 22 GLN HB3 H 1 2.936 0.002 . 2 . . . . . 22 GLN HB3 . 27987 1 222 . 1 . 1 22 22 GLN HG2 H 1 2.783 0.000 . 2 . . . . . 22 GLN HG2 . 27987 1 223 . 1 . 1 22 22 GLN HG3 H 1 3.090 0.000 . 2 . . . . . 22 GLN HG3 . 27987 1 224 . 1 . 1 22 22 GLN HE21 H 1 7.214 0.000 . 2 . . . . . 22 GLN HE21 . 27987 1 225 . 1 . 1 22 22 GLN HE22 H 1 7.866 0.000 . 2 . . . . . 22 GLN HE22 . 27987 1 226 . 1 . 1 22 22 GLN CA C 13 58.686 0.019 . 1 . . . . . 22 GLN CA . 27987 1 227 . 1 . 1 22 22 GLN CB C 13 29.263 0.027 . 1 . . . . . 22 GLN CB . 27987 1 228 . 1 . 1 22 22 GLN CG C 13 34.249 0.025 . 1 . . . . . 22 GLN CG . 27987 1 229 . 1 . 1 22 22 GLN N N 15 117.548 0.035 . 1 . . . . . 22 GLN N . 27987 1 230 . 1 . 1 22 22 GLN NE2 N 15 111.871 0.000 . 1 . . . . . 22 GLN NE2 . 27987 1 231 . 1 . 1 23 23 VAL H H 1 8.784 0.001 . 1 . . . . . 23 VAL HN . 27987 1 232 . 1 . 1 23 23 VAL HA H 1 4.090 0.001 . 1 . . . . . 23 VAL HA . 27987 1 233 . 1 . 1 23 23 VAL HB H 1 2.580 0.002 . 1 . . . . . 23 VAL HB . 27987 1 234 . 1 . 1 23 23 VAL HG11 H 1 1.012 0.001 . 2 . . . . . 23 VAL QG1 . 27987 1 235 . 1 . 1 23 23 VAL HG12 H 1 1.012 0.001 . 2 . . . . . 23 VAL QG1 . 27987 1 236 . 1 . 1 23 23 VAL HG13 H 1 1.012 0.001 . 2 . . . . . 23 VAL QG1 . 27987 1 237 . 1 . 1 23 23 VAL HG21 H 1 1.467 0.001 . 2 . . . . . 23 VAL QG2 . 27987 1 238 . 1 . 1 23 23 VAL HG22 H 1 1.467 0.001 . 2 . . . . . 23 VAL QG2 . 27987 1 239 . 1 . 1 23 23 VAL HG23 H 1 1.467 0.001 . 2 . . . . . 23 VAL QG2 . 27987 1 240 . 1 . 1 23 23 VAL CA C 13 64.737 0.028 . 1 . . . . . 23 VAL CA . 27987 1 241 . 1 . 1 23 23 VAL CB C 13 33.132 0.019 . 1 . . . . . 23 VAL CB . 27987 1 242 . 1 . 1 23 23 VAL CG1 C 13 21.358 0.032 . 2 . . . . . 23 VAL CG1 . 27987 1 243 . 1 . 1 23 23 VAL CG2 C 13 22.058 0.028 . 2 . . . . . 23 VAL CG2 . 27987 1 244 . 1 . 1 23 23 VAL N N 15 115.199 0.081 . 1 . . . . . 23 VAL N . 27987 1 245 . 1 . 1 24 24 VAL H H 1 8.464 0.001 . 1 . . . . . 24 VAL HN . 27987 1 246 . 1 . 1 24 24 VAL HA H 1 3.339 0.001 . 1 . . . . . 24 VAL HA . 27987 1 247 . 1 . 1 24 24 VAL HB H 1 1.170 0.004 . 1 . . . . . 24 VAL HB . 27987 1 248 . 1 . 1 24 24 VAL HG11 H 1 -0.309 0.002 . 2 . . . . . 24 VAL QG1 . 27987 1 249 . 1 . 1 24 24 VAL HG12 H 1 -0.309 0.002 . 2 . . . . . 24 VAL QG1 . 27987 1 250 . 1 . 1 24 24 VAL HG13 H 1 -0.309 0.002 . 2 . . . . . 24 VAL QG1 . 27987 1 251 . 1 . 1 24 24 VAL HG21 H 1 -0.432 0.001 . 2 . . . . . 24 VAL QG2 . 27987 1 252 . 1 . 1 24 24 VAL HG22 H 1 -0.432 0.001 . 2 . . . . . 24 VAL QG2 . 27987 1 253 . 1 . 1 24 24 VAL HG23 H 1 -0.432 0.001 . 2 . . . . . 24 VAL QG2 . 27987 1 254 . 1 . 1 24 24 VAL CA C 13 63.724 0.035 . 1 . . . . . 24 VAL CA . 27987 1 255 . 1 . 1 24 24 VAL CB C 13 30.534 0.035 . 1 . . . . . 24 VAL CB . 27987 1 256 . 1 . 1 24 24 VAL CG1 C 13 21.028 0.043 . 2 . . . . . 24 VAL CG1 . 27987 1 257 . 1 . 1 24 24 VAL CG2 C 13 21.950 0.038 . 2 . . . . . 24 VAL CG2 . 27987 1 258 . 1 . 1 24 24 VAL N N 15 119.586 0.028 . 1 . . . . . 24 VAL N . 27987 1 259 . 1 . 1 25 25 GLY H H 1 7.013 0.002 . 1 . . . . . 25 GLY HN . 27987 1 260 . 1 . 1 25 25 GLY HA2 H 1 3.574 0.000 . 2 . . . . . 25 GLY HA1 . 27987 1 261 . 1 . 1 25 25 GLY HA3 H 1 3.736 0.000 . 2 . . . . . 25 GLY HA2 . 27987 1 262 . 1 . 1 25 25 GLY CA C 13 46.575 0.023 . 1 . . . . . 25 GLY CA . 27987 1 263 . 1 . 1 25 25 GLY N N 15 105.824 0.009 . 1 . . . . . 25 GLY N . 27987 1 264 . 1 . 1 26 26 ASN H H 1 6.679 0.001 . 1 . . . . . 26 ASN HN . 27987 1 265 . 1 . 1 26 26 ASN HA H 1 4.553 0.005 . 1 . . . . . 26 ASN HA . 27987 1 266 . 1 . 1 26 26 ASN HB2 H 1 2.453 0.000 . 2 . . . . . 26 ASN HB2 . 27987 1 267 . 1 . 1 26 26 ASN HB3 H 1 2.738 0.002 . 2 . . . . . 26 ASN HB3 . 27987 1 268 . 1 . 1 26 26 ASN HD21 H 1 6.783 0.000 . 2 . . . . . 26 ASN HD21 . 27987 1 269 . 1 . 1 26 26 ASN HD22 H 1 7.500 0.000 . 2 . . . . . 26 ASN HD22 . 27987 1 270 . 1 . 1 26 26 ASN CA C 13 52.304 0.028 . 1 . . . . . 26 ASN CA . 27987 1 271 . 1 . 1 26 26 ASN CB C 13 39.290 0.024 . 1 . . . . . 26 ASN CB . 27987 1 272 . 1 . 1 26 26 ASN N N 15 115.539 0.018 . 1 . . . . . 26 ASN N . 27987 1 273 . 1 . 1 26 26 ASN ND2 N 15 111.977 0.003 . 1 . . . . . 26 ASN ND2 . 27987 1 274 . 1 . 1 27 27 CYS H H 1 8.295 0.001 . 1 . . . . . 27 CYS HN . 27987 1 275 . 1 . 1 27 27 CYS HA H 1 2.974 0.002 . 1 . . . . . 27 CYS HA . 27987 1 276 . 1 . 1 27 27 CYS HB2 H 1 4.115 0.000 . 2 . . . . . 27 CYS HB2 . 27987 1 277 . 1 . 1 27 27 CYS HB3 H 1 5.018 0.002 . 2 . . . . . 27 CYS HB3 . 27987 1 278 . 1 . 1 27 27 CYS CA C 13 56.392 0.026 . 1 . . . . . 27 CYS CA . 27987 1 279 . 1 . 1 27 27 CYS CB C 13 32.126 0.034 . 1 . . . . . 27 CYS CB . 27987 1 280 . 1 . 1 27 27 CYS N N 15 122.194 0.014 . 1 . . . . . 27 CYS N . 27987 1 281 . 1 . 1 28 28 LYS H H 1 8.439 0.001 . 1 . . . . . 28 LYS HN . 27987 1 282 . 1 . 1 28 28 LYS HA H 1 5.693 0.001 . 1 . . . . . 28 LYS HA . 27987 1 283 . 1 . 1 28 28 LYS HB2 H 1 2.318 0.001 . 2 . . . . . 28 LYS HB2 . 27987 1 284 . 1 . 1 28 28 LYS HB3 H 1 2.338 0.000 . 2 . . . . . 28 LYS HB3 . 27987 1 285 . 1 . 1 28 28 LYS HG2 H 1 2.169 0.000 . 2 . . . . . 28 LYS HG2 . 27987 1 286 . 1 . 1 28 28 LYS HD2 H 1 2.180 0.000 . 2 . . . . . 28 LYS HD2 . 27987 1 287 . 1 . 1 28 28 LYS HE2 H 1 3.440 0.000 . 2 . . . . . 28 LYS HE2 . 27987 1 288 . 1 . 1 28 28 LYS CA C 13 58.462 0.030 . 1 . . . . . 28 LYS CA . 27987 1 289 . 1 . 1 28 28 LYS CB C 13 32.814 0.022 . 1 . . . . . 28 LYS CB . 27987 1 290 . 1 . 1 28 28 LYS CG C 13 25.869 0.002 . 1 . . . . . 28 LYS CG . 27987 1 291 . 1 . 1 28 28 LYS CD C 13 29.679 0.003 . 1 . . . . . 28 LYS CD . 27987 1 292 . 1 . 1 28 28 LYS CE C 13 42.579 0.003 . 1 . . . . . 28 LYS CE . 27987 1 293 . 1 . 1 28 28 LYS N N 15 117.706 0.044 . 1 . . . . . 28 LYS N . 27987 1 294 . 1 . 1 29 29 LYS H H 1 7.264 0.002 . 1 . . . . . 29 LYS HN . 27987 1 295 . 1 . 1 29 29 LYS HA H 1 3.780 0.001 . 1 . . . . . 29 LYS HA . 27987 1 296 . 1 . 1 29 29 LYS HB2 H 1 0.472 0.002 . 2 . . . . . 29 LYS HB2 . 27987 1 297 . 1 . 1 29 29 LYS HB3 H 1 0.932 0.002 . 2 . . . . . 29 LYS HB3 . 27987 1 298 . 1 . 1 29 29 LYS HG2 H 1 0.300 0.001 . 2 . . . . . 29 LYS HG2 . 27987 1 299 . 1 . 1 29 29 LYS HG3 H 1 0.467 0.001 . 2 . . . . . 29 LYS HG3 . 27987 1 300 . 1 . 1 29 29 LYS HD2 H 1 1.024 0.003 . 2 . . . . . 29 LYS HD2 . 27987 1 301 . 1 . 1 29 29 LYS HE2 H 1 2.122 0.001 . 2 . . . . . 29 LYS HE2 . 27987 1 302 . 1 . 1 29 29 LYS HE3 H 1 2.244 0.001 . 2 . . . . . 29 LYS HE3 . 27987 1 303 . 1 . 1 29 29 LYS CA C 13 57.331 0.022 . 1 . . . . . 29 LYS CA . 27987 1 304 . 1 . 1 29 29 LYS CB C 13 31.128 0.036 . 1 . . . . . 29 LYS CB . 27987 1 305 . 1 . 1 29 29 LYS CG C 13 24.012 0.028 . 1 . . . . . 29 LYS CG . 27987 1 306 . 1 . 1 29 29 LYS CD C 13 27.450 0.018 . 1 . . . . . 29 LYS CD . 27987 1 307 . 1 . 1 29 29 LYS CE C 13 41.483 0.038 . 1 . . . . . 29 LYS CE . 27987 1 308 . 1 . 1 29 29 LYS N N 15 117.313 0.015 . 1 . . . . . 29 LYS N . 27987 1 309 . 1 . 1 30 30 CYS H H 1 6.862 0.002 . 1 . . . . . 30 CYS HN . 27987 1 310 . 1 . 1 30 30 CYS HA H 1 4.538 0.000 . 1 . . . . . 30 CYS HA . 27987 1 311 . 1 . 1 30 30 CYS HB2 H 1 0.487 0.002 . 2 . . . . . 30 CYS HB2 . 27987 1 312 . 1 . 1 30 30 CYS HB3 H 1 1.228 0.001 . 2 . . . . . 30 CYS HB3 . 27987 1 313 . 1 . 1 30 30 CYS CA C 13 54.812 0.023 . 1 . . . . . 30 CYS CA . 27987 1 314 . 1 . 1 30 30 CYS CB C 13 38.630 0.015 . 1 . . . . . 30 CYS CB . 27987 1 315 . 1 . 1 30 30 CYS N N 15 109.738 0.017 . 1 . . . . . 30 CYS N . 27987 1 316 . 1 . 1 31 31 HIS H H 1 12.014 0.002 . 1 . . . . . 31 HIS HN . 27987 1 317 . 1 . 1 31 31 HIS HA H 1 10.227 0.002 . 1 . . . . . 31 HIS HA . 27987 1 318 . 1 . 1 31 31 HIS HB2 H 1 10.770 0.004 . 2 . . . . . 31 HIS HB2 . 27987 1 319 . 1 . 1 31 31 HIS HB3 H 1 13.004 0.000 . 2 . . . . . 31 HIS HB3 . 27987 1 320 . 1 . 1 31 31 HIS CA C 13 83.157 0.045 . 1 . . . . . 31 HIS CA . 27987 1 321 . 1 . 1 31 31 HIS CB C 13 23.342 0.034 . 1 . . . . . 31 HIS CB . 27987 1 322 . 1 . 1 31 31 HIS N N 15 121.405 0.041 . 1 . . . . . 31 HIS N . 27987 1 323 . 1 . 1 32 32 GLU H H 1 10.777 0.001 . 1 . . . . . 32 GLU HN . 27987 1 324 . 1 . 1 32 32 GLU HA H 1 5.237 0.001 . 1 . . . . . 32 GLU HA . 27987 1 325 . 1 . 1 32 32 GLU HB2 H 1 2.911 0.000 . 2 . . . . . 32 GLU HB2 . 27987 1 326 . 1 . 1 32 32 GLU HB3 H 1 3.011 0.003 . 2 . . . . . 32 GLU HB3 . 27987 1 327 . 1 . 1 32 32 GLU HG2 H 1 2.968 0.000 . 2 . . . . . 32 GLU HG2 . 27987 1 328 . 1 . 1 32 32 GLU HG3 H 1 3.006 0.000 . 2 . . . . . 32 GLU HG3 . 27987 1 329 . 1 . 1 32 32 GLU CA C 13 61.528 0.014 . 1 . . . . . 32 GLU CA . 27987 1 330 . 1 . 1 32 32 GLU CB C 13 31.071 0.010 . 1 . . . . . 32 GLU CB . 27987 1 331 . 1 . 1 32 32 GLU CG C 13 36.882 0.010 . 1 . . . . . 32 GLU CG . 27987 1 332 . 1 . 1 32 32 GLU N N 15 129.801 0.020 . 1 . . . . . 32 GLU N . 27987 1 333 . 1 . 1 33 33 LYS H H 1 10.328 0.002 . 1 . . . . . 33 LYS HN . 27987 1 334 . 1 . 1 33 33 LYS HA H 1 5.364 0.001 . 1 . . . . . 33 LYS HA . 27987 1 335 . 1 . 1 33 33 LYS HB2 H 1 2.721 0.002 . 2 . . . . . 33 LYS HB2 . 27987 1 336 . 1 . 1 33 33 LYS HB3 H 1 2.802 0.001 . 2 . . . . . 33 LYS HB3 . 27987 1 337 . 1 . 1 33 33 LYS HG2 H 1 2.041 0.000 . 2 . . . . . 33 LYS HG2 . 27987 1 338 . 1 . 1 33 33 LYS HD2 H 1 2.186 0.000 . 2 . . . . . 33 LYS HD2 . 27987 1 339 . 1 . 1 33 33 LYS HE2 H 1 3.400 0.000 . 2 . . . . . 33 LYS HE2 . 27987 1 340 . 1 . 1 33 33 LYS CA C 13 56.297 0.042 . 1 . . . . . 33 LYS CA . 27987 1 341 . 1 . 1 33 33 LYS CB C 13 32.718 0.038 . 1 . . . . . 33 LYS CB . 27987 1 342 . 1 . 1 33 33 LYS CG C 13 25.936 0.014 . 1 . . . . . 33 LYS CG . 27987 1 343 . 1 . 1 33 33 LYS CD C 13 29.463 0.016 . 1 . . . . . 33 LYS CD . 27987 1 344 . 1 . 1 33 33 LYS CE C 13 42.649 0.002 . 1 . . . . . 33 LYS CE . 27987 1 345 . 1 . 1 33 33 LYS N N 15 117.355 0.009 . 1 . . . . . 33 LYS N . 27987 1 346 . 1 . 1 34 34 GLY H H 1 8.991 0.002 . 1 . . . . . 34 GLY HN . 27987 1 347 . 1 . 1 34 34 GLY HA2 H 1 5.114 0.000 . 2 . . . . . 34 GLY HA1 . 27987 1 348 . 1 . 1 34 34 GLY HA3 H 1 5.197 0.006 . 2 . . . . . 34 GLY HA2 . 27987 1 349 . 1 . 1 34 34 GLY CA C 13 45.175 0.012 . 1 . . . . . 34 GLY CA . 27987 1 350 . 1 . 1 34 34 GLY N N 15 108.817 0.011 . 1 . . . . . 34 GLY N . 27987 1 351 . 1 . 1 35 35 PRO HA H 1 5.975 0.001 . 1 . . . . . 35 PRO HA . 27987 1 352 . 1 . 1 35 35 PRO HB2 H 1 -0.909 0.002 . 2 . . . . . 35 PRO HB2 . 27987 1 353 . 1 . 1 35 35 PRO HB3 H 1 -0.541 0.002 . 2 . . . . . 35 PRO HB3 . 27987 1 354 . 1 . 1 35 35 PRO HG2 H 1 1.397 0.002 . 2 . . . . . 35 PRO HG2 . 27987 1 355 . 1 . 1 35 35 PRO HG3 H 1 1.512 0.000 . 2 . . . . . 35 PRO HG3 . 27987 1 356 . 1 . 1 35 35 PRO HD2 H 1 3.707 0.001 . 2 . . . . . 35 PRO HD2 . 27987 1 357 . 1 . 1 35 35 PRO HD3 H 1 4.275 0.000 . 2 . . . . . 35 PRO HD3 . 27987 1 358 . 1 . 1 35 35 PRO CA C 13 64.589 0.021 . 1 . . . . . 35 PRO CA . 27987 1 359 . 1 . 1 35 35 PRO CB C 13 30.930 0.035 . 1 . . . . . 35 PRO CB . 27987 1 360 . 1 . 1 35 35 PRO CG C 13 27.058 0.035 . 1 . . . . . 35 PRO CG . 27987 1 361 . 1 . 1 35 35 PRO CD C 13 50.194 0.018 . 1 . . . . . 35 PRO CD . 27987 1 362 . 1 . 1 36 36 GLY HA2 H 1 0.430 0.002 . 2 . . . . . 36 GLY HA1 . 27987 1 363 . 1 . 1 36 36 GLY HA3 H 1 3.616 0.001 . 2 . . . . . 36 GLY HA2 . 27987 1 364 . 1 . 1 36 36 GLY CA C 13 44.032 0.034 . 1 . . . . . 36 GLY CA . 27987 1 365 . 1 . 1 37 37 LYS H H 1 7.369 0.001 . 1 . . . . . 37 LYS HN . 27987 1 366 . 1 . 1 37 37 LYS HA H 1 2.791 0.002 . 1 . . . . . 37 LYS HA . 27987 1 367 . 1 . 1 37 37 LYS HB2 H 1 1.224 0.001 . 2 . . . . . 37 LYS HB2 . 27987 1 368 . 1 . 1 37 37 LYS HB3 H 1 1.249 0.000 . 2 . . . . . 37 LYS HB3 . 27987 1 369 . 1 . 1 37 37 LYS HG2 H 1 0.582 0.003 . 2 . . . . . 37 LYS HG2 . 27987 1 370 . 1 . 1 37 37 LYS HG3 H 1 0.799 0.001 . 2 . . . . . 37 LYS HG3 . 27987 1 371 . 1 . 1 37 37 LYS HD2 H 1 0.977 0.003 . 2 . . . . . 37 LYS HD2 . 27987 1 372 . 1 . 1 37 37 LYS HE2 H 1 2.471 0.001 . 2 . . . . . 37 LYS HE2 . 27987 1 373 . 1 . 1 37 37 LYS HE3 H 1 2.543 0.002 . 2 . . . . . 37 LYS HE3 . 27987 1 374 . 1 . 1 37 37 LYS CA C 13 56.197 0.022 . 1 . . . . . 37 LYS CA . 27987 1 375 . 1 . 1 37 37 LYS CB C 13 31.821 0.036 . 1 . . . . . 37 LYS CB . 27987 1 376 . 1 . 1 37 37 LYS CG C 13 24.125 0.032 . 1 . . . . . 37 LYS CG . 27987 1 377 . 1 . 1 37 37 LYS CD C 13 27.710 0.039 . 1 . . . . . 37 LYS CD . 27987 1 378 . 1 . 1 37 37 LYS CE C 13 41.471 0.014 . 1 . . . . . 37 LYS CE . 27987 1 379 . 1 . 1 37 37 LYS N N 15 118.635 0.010 . 1 . . . . . 37 LYS N . 27987 1 380 . 1 . 1 38 38 ILE H H 1 9.793 0.001 . 1 . . . . . 38 ILE HN . 27987 1 381 . 1 . 1 38 38 ILE HA H 1 5.192 0.003 . 1 . . . . . 38 ILE HA . 27987 1 382 . 1 . 1 38 38 ILE HB H 1 1.159 0.001 . 1 . . . . . 38 ILE HB . 27987 1 383 . 1 . 1 38 38 ILE HG21 H 1 0.637 0.000 . 1 . . . . . 38 ILE QG2 . 27987 1 384 . 1 . 1 38 38 ILE HG22 H 1 0.637 0.000 . 1 . . . . . 38 ILE QG2 . 27987 1 385 . 1 . 1 38 38 ILE HG23 H 1 0.637 0.000 . 1 . . . . . 38 ILE QG2 . 27987 1 386 . 1 . 1 38 38 ILE HD11 H 1 1.281 0.002 . 1 . . . . . 38 ILE QD1 . 27987 1 387 . 1 . 1 38 38 ILE HD12 H 1 1.281 0.002 . 1 . . . . . 38 ILE QD1 . 27987 1 388 . 1 . 1 38 38 ILE HD13 H 1 1.281 0.002 . 1 . . . . . 38 ILE QD1 . 27987 1 389 . 1 . 1 38 38 ILE CA C 13 61.780 0.012 . 1 . . . . . 38 ILE CA . 27987 1 390 . 1 . 1 38 38 ILE CB C 13 40.795 0.036 . 1 . . . . . 38 ILE CB . 27987 1 391 . 1 . 1 38 38 ILE CG1 C 13 30.739 0.009 . 1 . . . . . 38 ILE CG1 . 27987 1 392 . 1 . 1 38 38 ILE CG2 C 13 15.613 0.033 . 1 . . . . . 38 ILE CG2 . 27987 1 393 . 1 . 1 38 38 ILE CD1 C 13 14.204 0.033 . 1 . . . . . 38 ILE CD1 . 27987 1 394 . 1 . 1 38 38 ILE N N 15 128.920 0.041 . 1 . . . . . 38 ILE N . 27987 1 395 . 1 . 1 39 39 GLU H H 1 9.418 0.002 . 1 . . . . . 39 GLU HN . 27987 1 396 . 1 . 1 39 39 GLU HA H 1 4.076 0.001 . 1 . . . . . 39 GLU HA . 27987 1 397 . 1 . 1 39 39 GLU HB2 H 1 2.189 0.000 . 2 . . . . . 39 GLU HB2 . 27987 1 398 . 1 . 1 39 39 GLU HB3 H 1 2.221 0.001 . 2 . . . . . 39 GLU HB3 . 27987 1 399 . 1 . 1 39 39 GLU HG2 H 1 2.383 0.001 . 2 . . . . . 39 GLU HG2 . 27987 1 400 . 1 . 1 39 39 GLU HG3 H 1 2.433 0.000 . 2 . . . . . 39 GLU HG3 . 27987 1 401 . 1 . 1 39 39 GLU CA C 13 58.242 0.024 . 1 . . . . . 39 GLU CA . 27987 1 402 . 1 . 1 39 39 GLU CB C 13 29.212 0.019 . 1 . . . . . 39 GLU CB . 27987 1 403 . 1 . 1 39 39 GLU CG C 13 36.081 0.004 . 1 . . . . . 39 GLU CG . 27987 1 404 . 1 . 1 39 39 GLU N N 15 132.065 0.019 . 1 . . . . . 39 GLU N . 27987 1 405 . 1 . 1 40 40 GLY H H 1 9.000 0.001 . 1 . . . . . 40 GLY HN . 27987 1 406 . 1 . 1 40 40 GLY HA2 H 1 3.674 0.002 . 2 . . . . . 40 GLY HA1 . 27987 1 407 . 1 . 1 40 40 GLY HA3 H 1 4.071 0.004 . 2 . . . . . 40 GLY HA2 . 27987 1 408 . 1 . 1 40 40 GLY CA C 13 45.057 0.014 . 1 . . . . . 40 GLY CA . 27987 1 409 . 1 . 1 40 40 GLY N N 15 113.046 0.016 . 1 . . . . . 40 GLY N . 27987 1 410 . 1 . 1 41 41 PHE H H 1 7.424 0.002 . 1 . . . . . 41 PHE HN . 27987 1 411 . 1 . 1 41 41 PHE HA H 1 2.731 0.000 . 1 . . . . . 41 PHE HA . 27987 1 412 . 1 . 1 41 41 PHE HB2 H 1 2.026 0.001 . 2 . . . . . 41 PHE HB2 . 27987 1 413 . 1 . 1 41 41 PHE HB3 H 1 2.169 0.000 . 2 . . . . . 41 PHE HB3 . 27987 1 414 . 1 . 1 41 41 PHE HD2 H 1 5.347 0.000 . 3 . . . . . 41 PHE HD2 . 27987 1 415 . 1 . 1 41 41 PHE CA C 13 60.582 0.035 . 1 . . . . . 41 PHE CA . 27987 1 416 . 1 . 1 41 41 PHE CB C 13 38.434 0.027 . 1 . . . . . 41 PHE CB . 27987 1 417 . 1 . 1 41 41 PHE CD2 C 13 129.556 0.000 . 3 . . . . . 41 PHE CD2 . 27987 1 418 . 1 . 1 41 41 PHE N N 15 120.085 0.009 . 1 . . . . . 41 PHE N . 27987 1 419 . 1 . 1 42 42 GLY HA2 H 1 2.079 0.000 . 2 . . . . . 42 GLY HA1 . 27987 1 420 . 1 . 1 42 42 GLY HA3 H 1 2.112 0.000 . 2 . . . . . 42 GLY HA2 . 27987 1 421 . 1 . 1 42 42 GLY CA C 13 43.109 0.010 . 1 . . . . . 42 GLY CA . 27987 1 422 . 1 . 1 43 43 LYS H H 1 7.245 0.002 . 1 . . . . . 43 LYS HN . 27987 1 423 . 1 . 1 43 43 LYS HA H 1 -0.089 0.003 . 1 . . . . . 43 LYS HA . 27987 1 424 . 1 . 1 43 43 LYS HB2 H 1 -0.748 0.004 . 2 . . . . . 43 LYS HB2 . 27987 1 425 . 1 . 1 43 43 LYS HB3 H 1 0.929 0.004 . 2 . . . . . 43 LYS HB3 . 27987 1 426 . 1 . 1 43 43 LYS HG2 H 1 4.104 0.004 . 2 . . . . . 43 LYS HG2 . 27987 1 427 . 1 . 1 43 43 LYS HD2 H 1 1.401 0.001 . 2 . . . . . 43 LYS HD2 . 27987 1 428 . 1 . 1 43 43 LYS HE2 H 1 2.950 0.002 . 2 . . . . . 43 LYS HE2 . 27987 1 429 . 1 . 1 43 43 LYS HE3 H 1 3.896 0.002 . 2 . . . . . 43 LYS HE3 . 27987 1 430 . 1 . 1 43 43 LYS CA C 13 58.705 0.031 . 1 . . . . . 43 LYS CA . 27987 1 431 . 1 . 1 43 43 LYS CB C 13 31.733 0.027 . 1 . . . . . 43 LYS CB . 27987 1 432 . 1 . 1 43 43 LYS CG C 13 25.471 0.036 . 1 . . . . . 43 LYS CG . 27987 1 433 . 1 . 1 43 43 LYS CD C 13 30.761 0.012 . 1 . . . . . 43 LYS CD . 27987 1 434 . 1 . 1 43 43 LYS CE C 13 43.526 0.039 . 1 . . . . . 43 LYS CE . 27987 1 435 . 1 . 1 43 43 LYS N N 15 120.771 0.009 . 1 . . . . . 43 LYS N . 27987 1 436 . 1 . 1 44 44 ASP H H 1 8.653 0.002 . 1 . . . . . 44 ASP HN . 27987 1 437 . 1 . 1 44 44 ASP HA H 1 6.880 0.000 . 1 . . . . . 44 ASP HA . 27987 1 438 . 1 . 1 44 44 ASP HB2 H 1 3.220 0.000 . 2 . . . . . 44 ASP HB2 . 27987 1 439 . 1 . 1 44 44 ASP HB3 H 1 3.578 0.000 . 2 . . . . . 44 ASP HB3 . 27987 1 440 . 1 . 1 44 44 ASP CA C 13 59.473 0.019 . 1 . . . . . 44 ASP CA . 27987 1 441 . 1 . 1 44 44 ASP CB C 13 40.793 0.025 . 1 . . . . . 44 ASP CB . 27987 1 442 . 1 . 1 44 44 ASP N N 15 118.754 0.083 . 1 . . . . . 44 ASP N . 27987 1 443 . 1 . 1 45 45 TRP H H 1 8.890 0.001 . 1 . . . . . 45 TRP HN . 27987 1 444 . 1 . 1 45 45 TRP HA H 1 4.096 0.001 . 1 . . . . . 45 TRP HA . 27987 1 445 . 1 . 1 45 45 TRP HB2 H 1 2.247 0.000 . 2 . . . . . 45 TRP HB2 . 27987 1 446 . 1 . 1 45 45 TRP HB3 H 1 3.167 0.002 . 2 . . . . . 45 TRP HB3 . 27987 1 447 . 1 . 1 45 45 TRP HD1 H 1 7.221 0.005 . 1 . . . . . 45 TRP HD1 . 27987 1 448 . 1 . 1 45 45 TRP HE1 H 1 10.436 0.000 . 1 . . . . . 45 TRP HE1 . 27987 1 449 . 1 . 1 45 45 TRP HE3 H 1 5.527 0.002 . 1 . . . . . 45 TRP HE3 . 27987 1 450 . 1 . 1 45 45 TRP HZ2 H 1 7.430 0.003 . 1 . . . . . 45 TRP HZ2 . 27987 1 451 . 1 . 1 45 45 TRP HZ3 H 1 3.925 0.002 . 1 . . . . . 45 TRP HZ3 . 27987 1 452 . 1 . 1 45 45 TRP HH2 H 1 4.481 0.000 . 1 . . . . . 45 TRP HH2 . 27987 1 453 . 1 . 1 45 45 TRP CA C 13 62.006 0.036 . 1 . . . . . 45 TRP CA . 27987 1 454 . 1 . 1 45 45 TRP CB C 13 31.461 0.016 . 1 . . . . . 45 TRP CB . 27987 1 455 . 1 . 1 45 45 TRP CD1 C 13 128.214 0.056 . 1 . . . . . 45 TRP CD1 . 27987 1 456 . 1 . 1 45 45 TRP CE3 C 13 119.822 0.091 . 1 . . . . . 45 TRP CE3 . 27987 1 457 . 1 . 1 45 45 TRP CZ2 C 13 115.244 0.009 . 1 . . . . . 45 TRP CZ2 . 27987 1 458 . 1 . 1 45 45 TRP CZ3 C 13 117.598 0.005 . 1 . . . . . 45 TRP CZ3 . 27987 1 459 . 1 . 1 45 45 TRP CH2 C 13 121.673 0.019 . 1 . . . . . 45 TRP CH2 . 27987 1 460 . 1 . 1 45 45 TRP N N 15 122.331 0.015 . 1 . . . . . 45 TRP N . 27987 1 461 . 1 . 1 45 45 TRP NE1 N 15 131.520 0.000 . 1 . . . . . 45 TRP NE1 . 27987 1 462 . 1 . 1 46 46 ALA H H 1 8.133 0.001 . 1 . . . . . 46 ALA HN . 27987 1 463 . 1 . 1 46 46 ALA HA H 1 2.501 0.001 . 1 . . . . . 46 ALA HA . 27987 1 464 . 1 . 1 46 46 ALA HB1 H 1 -2.686 0.013 . 1 . . . . . 46 ALA HB . 27987 1 465 . 1 . 1 46 46 ALA HB2 H 1 -2.686 0.013 . 1 . . . . . 46 ALA HB . 27987 1 466 . 1 . 1 46 46 ALA HB3 H 1 -2.686 0.013 . 1 . . . . . 46 ALA HB . 27987 1 467 . 1 . 1 46 46 ALA CA C 13 55.159 0.035 . 1 . . . . . 46 ALA CA . 27987 1 468 . 1 . 1 46 46 ALA CB C 13 15.833 0.055 . 1 . . . . . 46 ALA CB . 27987 1 469 . 1 . 1 46 46 ALA N N 15 119.277 0.022 . 1 . . . . . 46 ALA N . 27987 1 470 . 1 . 1 47 47 HIS H H 1 12.624 0.003 . 1 . . . . . 47 HIS HN . 27987 1 471 . 1 . 1 47 47 HIS HA H 1 8.178 0.003 . 1 . . . . . 47 HIS HA . 27987 1 472 . 1 . 1 47 47 HIS HB2 H 1 15.459 0.000 . 2 . . . . . 47 HIS HB2 . 27987 1 473 . 1 . 1 47 47 HIS HB3 H 1 18.034 0.000 . 2 . . . . . 47 HIS HB3 . 27987 1 474 . 1 . 1 47 47 HIS CA C 13 63.436 0.039 . 1 . . . . . 47 HIS CA . 27987 1 475 . 1 . 1 47 47 HIS CB C 13 24.825 0.023 . 1 . . . . . 47 HIS CB . 27987 1 476 . 1 . 1 47 47 HIS N N 15 122.073 0.029 . 1 . . . . . 47 HIS N . 27987 1 477 . 1 . 1 48 48 LYS H H 1 9.445 0.002 . 1 . . . . . 48 LYS HN . 27987 1 478 . 1 . 1 48 48 LYS HA H 1 5.170 0.001 . 1 . . . . . 48 LYS HA . 27987 1 479 . 1 . 1 48 48 LYS HB2 H 1 2.172 0.003 . 2 . . . . . 48 LYS HB2 . 27987 1 480 . 1 . 1 48 48 LYS HB3 H 1 2.648 0.001 . 2 . . . . . 48 LYS HB3 . 27987 1 481 . 1 . 1 48 48 LYS HG2 H 1 1.590 0.003 . 2 . . . . . 48 LYS HG2 . 27987 1 482 . 1 . 1 48 48 LYS HG3 H 1 1.990 0.002 . 2 . . . . . 48 LYS HG3 . 27987 1 483 . 1 . 1 48 48 LYS HD2 H 1 1.942 0.000 . 2 . . . . . 48 LYS HD2 . 27987 1 484 . 1 . 1 48 48 LYS HD3 H 1 2.056 0.002 . 2 . . . . . 48 LYS HD3 . 27987 1 485 . 1 . 1 48 48 LYS HE2 H 1 3.234 0.001 . 2 . . . . . 48 LYS HE2 . 27987 1 486 . 1 . 1 48 48 LYS CA C 13 60.007 0.028 . 1 . . . . . 48 LYS CA . 27987 1 487 . 1 . 1 48 48 LYS CB C 13 33.631 0.029 . 1 . . . . . 48 LYS CB . 27987 1 488 . 1 . 1 48 48 LYS CG C 13 25.212 0.032 . 1 . . . . . 48 LYS CG . 27987 1 489 . 1 . 1 48 48 LYS CD C 13 29.585 0.018 . 1 . . . . . 48 LYS CD . 27987 1 490 . 1 . 1 48 48 LYS CE C 13 42.405 0.007 . 1 . . . . . 48 LYS CE . 27987 1 491 . 1 . 1 48 48 LYS N N 15 120.473 0.022 . 1 . . . . . 48 LYS N . 27987 1 492 . 1 . 1 49 49 THR H H 1 8.057 0.001 . 1 . . . . . 49 THR HN . 27987 1 493 . 1 . 1 49 49 THR HA H 1 2.744 0.001 . 1 . . . . . 49 THR HA . 27987 1 494 . 1 . 1 49 49 THR HB H 1 1.076 0.003 . 1 . . . . . 49 THR HB . 27987 1 495 . 1 . 1 49 49 THR HG21 H 1 -1.494 0.003 . 1 . . . . . 49 THR HG . 27987 1 496 . 1 . 1 49 49 THR HG22 H 1 -1.494 0.003 . 1 . . . . . 49 THR HG . 27987 1 497 . 1 . 1 49 49 THR HG23 H 1 -1.494 0.003 . 1 . . . . . 49 THR HG . 27987 1 498 . 1 . 1 49 49 THR CA C 13 65.020 0.053 . 1 . . . . . 49 THR CA . 27987 1 499 . 1 . 1 49 49 THR CB C 13 67.121 0.013 . 1 . . . . . 49 THR CB . 27987 1 500 . 1 . 1 49 49 THR CG2 C 13 19.495 0.023 . 1 . . . . . 49 THR CG . 27987 1 501 . 1 . 1 49 49 THR N N 15 114.291 0.013 . 1 . . . . . 49 THR N . 27987 1 502 . 1 . 1 50 50 CYS H H 1 6.172 0.003 . 1 . . . . . 50 CYS HN . 27987 1 503 . 1 . 1 50 50 CYS HA H 1 -2.989 0.002 . 1 . . . . . 50 CYS HA . 27987 1 504 . 1 . 1 50 50 CYS HB2 H 1 -0.802 0.005 . 2 . . . . . 50 CYS HB2 . 27987 1 505 . 1 . 1 50 50 CYS HB3 H 1 0.439 0.001 . 2 . . . . . 50 CYS HB3 . 27987 1 506 . 1 . 1 50 50 CYS CA C 13 54.981 0.024 . 1 . . . . . 50 CYS CA . 27987 1 507 . 1 . 1 50 50 CYS CB C 13 34.020 0.043 . 1 . . . . . 50 CYS CB . 27987 1 508 . 1 . 1 50 50 CYS N N 15 117.733 0.043 . 1 . . . . . 50 CYS N . 27987 1 509 . 1 . 1 51 51 LYS H H 1 6.181 0.003 . 1 . . . . . 51 LYS HN . 27987 1 510 . 1 . 1 51 51 LYS HA H 1 5.727 0.001 . 1 . . . . . 51 LYS HA . 27987 1 511 . 1 . 1 51 51 LYS HB2 H 1 1.821 0.004 . 2 . . . . . 51 LYS HB2 . 27987 1 512 . 1 . 1 51 51 LYS HB3 H 1 3.434 0.001 . 2 . . . . . 51 LYS HB3 . 27987 1 513 . 1 . 1 51 51 LYS HD2 H 1 2.172 0.001 . 2 . . . . . 51 LYS HD2 . 27987 1 514 . 1 . 1 51 51 LYS HD3 H 1 2.907 0.003 . 2 . . . . . 51 LYS HD3 . 27987 1 515 . 1 . 1 51 51 LYS HE2 H 1 3.958 0.000 . 2 . . . . . 51 LYS HE2 . 27987 1 516 . 1 . 1 51 51 LYS CA C 13 60.803 0.025 . 1 . . . . . 51 LYS CA . 27987 1 517 . 1 . 1 51 51 LYS CB C 13 33.307 0.037 . 1 . . . . . 51 LYS CB . 27987 1 518 . 1 . 1 51 51 LYS CG C 13 26.388 0.017 . 1 . . . . . 51 LYS CG . 27987 1 519 . 1 . 1 51 51 LYS CD C 13 30.647 0.032 . 1 . . . . . 51 LYS CD . 27987 1 520 . 1 . 1 51 51 LYS CE C 13 42.290 0.022 . 1 . . . . . 51 LYS CE . 27987 1 521 . 1 . 1 51 51 LYS N N 15 114.373 0.039 . 1 . . . . . 51 LYS N . 27987 1 522 . 1 . 1 52 52 GLY H H 1 6.946 0.002 . 1 . . . . . 52 GLY HN . 27987 1 523 . 1 . 1 52 52 GLY HA2 H 1 4.178 0.001 . 2 . . . . . 52 GLY HA1 . 27987 1 524 . 1 . 1 52 52 GLY HA3 H 1 4.408 0.002 . 2 . . . . . 52 GLY HA2 . 27987 1 525 . 1 . 1 52 52 GLY CA C 13 47.799 0.013 . 1 . . . . . 52 GLY CA . 27987 1 526 . 1 . 1 52 52 GLY N N 15 103.810 0.016 . 1 . . . . . 52 GLY N . 27987 1 527 . 1 . 1 53 53 CYS H H 1 6.779 0.002 . 1 . . . . . 53 CYS HN . 27987 1 528 . 1 . 1 53 53 CYS HA H 1 4.267 0.000 . 1 . . . . . 53 CYS HA . 27987 1 529 . 1 . 1 53 53 CYS HB2 H 1 -0.197 0.007 . 2 . . . . . 53 CYS HB2 . 27987 1 530 . 1 . 1 53 53 CYS HB3 H 1 1.077 0.001 . 2 . . . . . 53 CYS HB3 . 27987 1 531 . 1 . 1 53 53 CYS CA C 13 57.778 0.026 . 1 . . . . . 53 CYS CA . 27987 1 532 . 1 . 1 53 53 CYS CB C 13 28.177 0.029 . 1 . . . . . 53 CYS CB . 27987 1 533 . 1 . 1 53 53 CYS N N 15 119.732 0.014 . 1 . . . . . 53 CYS N . 27987 1 534 . 1 . 1 54 54 HIS H H 1 10.378 0.001 . 1 . . . . . 54 HIS HN . 27987 1 535 . 1 . 1 54 54 HIS HA H 1 9.041 0.002 . 1 . . . . . 54 HIS HA . 27987 1 536 . 1 . 1 54 54 HIS HB2 H 1 18.202 0.000 . 2 . . . . . 54 HIS HB2 . 27987 1 537 . 1 . 1 54 54 HIS HB3 H 1 21.624 0.000 . 2 . . . . . 54 HIS HB3 . 27987 1 538 . 1 . 1 54 54 HIS CA C 13 60.565 0.035 . 1 . . . . . 54 HIS CA . 27987 1 539 . 1 . 1 54 54 HIS CB C 13 13.496 0.035 . 1 . . . . . 54 HIS CB . 27987 1 540 . 1 . 1 54 54 HIS N N 15 118.745 0.046 . 1 . . . . . 54 HIS N . 27987 1 541 . 1 . 1 55 55 GLU H H 1 10.013 0.001 . 1 . . . . . 55 GLU HN . 27987 1 542 . 1 . 1 55 55 GLU HA H 1 4.888 0.002 . 1 . . . . . 55 GLU HA . 27987 1 543 . 1 . 1 55 55 GLU HB2 H 1 2.639 0.002 . 2 . . . . . 55 GLU HB2 . 27987 1 544 . 1 . 1 55 55 GLU HB3 H 1 2.972 0.001 . 2 . . . . . 55 GLU HB3 . 27987 1 545 . 1 . 1 55 55 GLU HG2 H 1 2.952 0.002 . 2 . . . . . 55 GLU HG2 . 27987 1 546 . 1 . 1 55 55 GLU HG3 H 1 3.304 0.002 . 2 . . . . . 55 GLU HG3 . 27987 1 547 . 1 . 1 55 55 GLU CA C 13 60.360 0.029 . 1 . . . . . 55 GLU CA . 27987 1 548 . 1 . 1 55 55 GLU CB C 13 30.426 0.038 . 1 . . . . . 55 GLU CB . 27987 1 549 . 1 . 1 55 55 GLU CG C 13 37.653 0.035 . 1 . . . . . 55 GLU CG . 27987 1 550 . 1 . 1 55 55 GLU N N 15 119.904 0.012 . 1 . . . . . 55 GLU N . 27987 1 551 . 1 . 1 56 56 GLU H H 1 8.582 0.001 . 1 . . . . . 56 GLU HN . 27987 1 552 . 1 . 1 56 56 GLU HA H 1 4.303 0.002 . 1 . . . . . 56 GLU HA . 27987 1 553 . 1 . 1 56 56 GLU HB2 H 1 2.202 0.000 . 2 . . . . . 56 GLU HB2 . 27987 1 554 . 1 . 1 56 56 GLU HB3 H 1 2.306 0.000 . 2 . . . . . 56 GLU HB3 . 27987 1 555 . 1 . 1 56 56 GLU HG2 H 1 2.321 0.001 . 2 . . . . . 56 GLU HG2 . 27987 1 556 . 1 . 1 56 56 GLU HG3 H 1 2.462 0.001 . 2 . . . . . 56 GLU HG3 . 27987 1 557 . 1 . 1 56 56 GLU CA C 13 59.679 0.012 . 1 . . . . . 56 GLU CA . 27987 1 558 . 1 . 1 56 56 GLU CB C 13 30.214 0.016 . 1 . . . . . 56 GLU CB . 27987 1 559 . 1 . 1 56 56 GLU CG C 13 35.966 0.029 . 1 . . . . . 56 GLU CG . 27987 1 560 . 1 . 1 56 56 GLU N N 15 121.305 0.004 . 1 . . . . . 56 GLU N . 27987 1 561 . 1 . 1 57 57 MET H H 1 9.311 0.002 . 1 . . . . . 57 MET HN . 27987 1 562 . 1 . 1 57 57 MET HA H 1 4.377 0.003 . 1 . . . . . 57 MET HA . 27987 1 563 . 1 . 1 57 57 MET HB2 H 1 2.253 0.003 . 2 . . . . . 57 MET HB2 . 27987 1 564 . 1 . 1 57 57 MET HB3 H 1 2.847 0.000 . 2 . . . . . 57 MET HB3 . 27987 1 565 . 1 . 1 57 57 MET HG2 H 1 2.530 0.002 . 2 . . . . . 57 MET HG2 . 27987 1 566 . 1 . 1 57 57 MET HE1 H 1 1.867 0.000 . 1 . . . . . 57 MET HE . 27987 1 567 . 1 . 1 57 57 MET HE2 H 1 1.867 0.000 . 1 . . . . . 57 MET HE . 27987 1 568 . 1 . 1 57 57 MET HE3 H 1 1.867 0.000 . 1 . . . . . 57 MET HE . 27987 1 569 . 1 . 1 57 57 MET CA C 13 57.043 0.018 . 1 . . . . . 57 MET CA . 27987 1 570 . 1 . 1 57 57 MET CB C 13 32.826 0.018 . 1 . . . . . 57 MET CB . 27987 1 571 . 1 . 1 57 57 MET CG C 13 33.902 0.025 . 1 . . . . . 57 MET CG . 27987 1 572 . 1 . 1 57 57 MET CE C 13 16.820 0.000 . 1 . . . . . 57 MET CE . 27987 1 573 . 1 . 1 57 57 MET N N 15 114.648 0.012 . 1 . . . . . 57 MET N . 27987 1 574 . 1 . 1 58 58 LYS H H 1 8.301 0.002 . 1 . . . . . 58 LYS HN . 27987 1 575 . 1 . 1 58 58 LYS HA H 1 4.330 0.003 . 1 . . . . . 58 LYS HA . 27987 1 576 . 1 . 1 58 58 LYS HB2 H 1 2.083 0.002 . 2 . . . . . 58 LYS HB2 . 27987 1 577 . 1 . 1 58 58 LYS HB3 H 1 2.222 0.002 . 2 . . . . . 58 LYS HB3 . 27987 1 578 . 1 . 1 58 58 LYS HG2 H 1 1.585 0.001 . 2 . . . . . 58 LYS HG2 . 27987 1 579 . 1 . 1 58 58 LYS HD2 H 1 1.801 0.001 . 2 . . . . . 58 LYS HD2 . 27987 1 580 . 1 . 1 58 58 LYS HD3 H 1 1.928 0.002 . 2 . . . . . 58 LYS HD3 . 27987 1 581 . 1 . 1 58 58 LYS HE2 H 1 3.182 0.000 . 2 . . . . . 58 LYS HE2 . 27987 1 582 . 1 . 1 58 58 LYS CA C 13 57.369 0.006 . 1 . . . . . 58 LYS CA . 27987 1 583 . 1 . 1 58 58 LYS CB C 13 29.173 0.029 . 1 . . . . . 58 LYS CB . 27987 1 584 . 1 . 1 58 58 LYS CG C 13 25.184 0.017 . 1 . . . . . 58 LYS CG . 27987 1 585 . 1 . 1 58 58 LYS CD C 13 29.244 0.022 . 1 . . . . . 58 LYS CD . 27987 1 586 . 1 . 1 58 58 LYS CE C 13 42.644 0.008 . 1 . . . . . 58 LYS CE . 27987 1 587 . 1 . 1 58 58 LYS N N 15 115.623 0.025 . 1 . . . . . 58 LYS N . 27987 1 588 . 1 . 1 59 59 LYS H H 1 8.614 0.002 . 1 . . . . . 59 LYS HN . 27987 1 589 . 1 . 1 59 59 LYS HA H 1 4.179 0.001 . 1 . . . . . 59 LYS HA . 27987 1 590 . 1 . 1 59 59 LYS HB2 H 1 0.929 0.001 . 2 . . . . . 59 LYS HB2 . 27987 1 591 . 1 . 1 59 59 LYS HB3 H 1 1.209 0.001 . 2 . . . . . 59 LYS HB3 . 27987 1 592 . 1 . 1 59 59 LYS HG2 H 1 1.018 0.000 . 2 . . . . . 59 LYS HG2 . 27987 1 593 . 1 . 1 59 59 LYS HG3 H 1 1.111 0.001 . 2 . . . . . 59 LYS HG3 . 27987 1 594 . 1 . 1 59 59 LYS HD2 H 1 1.198 0.001 . 2 . . . . . 59 LYS HD2 . 27987 1 595 . 1 . 1 59 59 LYS HE2 H 1 2.603 0.003 . 2 . . . . . 59 LYS HE2 . 27987 1 596 . 1 . 1 59 59 LYS CA C 13 55.744 0.024 . 1 . . . . . 59 LYS CA . 27987 1 597 . 1 . 1 59 59 LYS CB C 13 38.043 0.035 . 1 . . . . . 59 LYS CB . 27987 1 598 . 1 . 1 59 59 LYS CG C 13 24.895 0.020 . 1 . . . . . 59 LYS CG . 27987 1 599 . 1 . 1 59 59 LYS CD C 13 29.284 0.029 . 1 . . . . . 59 LYS CD . 27987 1 600 . 1 . 1 59 59 LYS CE C 13 42.002 0.006 . 1 . . . . . 59 LYS CE . 27987 1 601 . 1 . 1 59 59 LYS N N 15 118.605 0.033 . 1 . . . . . 59 LYS N . 27987 1 602 . 1 . 1 60 60 GLY H H 1 6.704 0.002 . 1 . . . . . 60 GLY HN . 27987 1 603 . 1 . 1 60 60 GLY HA2 H 1 -1.297 0.004 . 2 . . . . . 60 GLY HA1 . 27987 1 604 . 1 . 1 60 60 GLY CA C 13 40.384 0.023 . 1 . . . . . 60 GLY CA . 27987 1 605 . 1 . 1 60 60 GLY N N 15 103.471 0.019 . 1 . . . . . 60 GLY N . 27987 1 606 . 1 . 1 61 61 PRO HA H 1 4.914 0.001 . 1 . . . . . 61 PRO HA . 27987 1 607 . 1 . 1 61 61 PRO HB2 H 1 1.469 0.001 . 2 . . . . . 61 PRO HB2 . 27987 1 608 . 1 . 1 61 61 PRO HB3 H 1 1.672 0.002 . 2 . . . . . 61 PRO HB3 . 27987 1 609 . 1 . 1 61 61 PRO HG2 H 1 -0.263 0.003 . 2 . . . . . 61 PRO HG2 . 27987 1 610 . 1 . 1 61 61 PRO HG3 H 1 1.698 0.001 . 2 . . . . . 61 PRO HG3 . 27987 1 611 . 1 . 1 61 61 PRO HD2 H 1 1.848 0.001 . 2 . . . . . 61 PRO HD2 . 27987 1 612 . 1 . 1 61 61 PRO CA C 13 63.078 0.030 . 1 . . . . . 61 PRO CA . 27987 1 613 . 1 . 1 61 61 PRO CB C 13 33.586 0.028 . 1 . . . . . 61 PRO CB . 27987 1 614 . 1 . 1 61 61 PRO CG C 13 28.740 0.036 . 1 . . . . . 61 PRO CG . 27987 1 615 . 1 . 1 61 61 PRO CD C 13 50.124 0.030 . 1 . . . . . 61 PRO CD . 27987 1 616 . 1 . 1 62 62 THR H H 1 9.411 0.001 . 1 . . . . . 62 THR HN . 27987 1 617 . 1 . 1 62 62 THR HA H 1 4.955 0.005 . 1 . . . . . 62 THR HA . 27987 1 618 . 1 . 1 62 62 THR HG21 H 1 2.472 0.001 . 1 . . . . . 62 THR QG2 . 27987 1 619 . 1 . 1 62 62 THR HG22 H 1 2.472 0.001 . 1 . . . . . 62 THR QG2 . 27987 1 620 . 1 . 1 62 62 THR HG23 H 1 2.472 0.001 . 1 . . . . . 62 THR QG2 . 27987 1 621 . 1 . 1 62 62 THR CA C 13 62.741 0.033 . 1 . . . . . 62 THR CA . 27987 1 622 . 1 . 1 62 62 THR CB C 13 70.941 0.028 . 1 . . . . . 62 THR CB . 27987 1 623 . 1 . 1 62 62 THR CG2 C 13 23.651 0.017 . 1 . . . . . 62 THR CG2 . 27987 1 624 . 1 . 1 62 62 THR N N 15 113.629 0.016 . 1 . . . . . 62 THR N . 27987 1 625 . 1 . 1 63 63 LYS H H 1 7.971 0.001 . 1 . . . . . 63 LYS HN . 27987 1 626 . 1 . 1 63 63 LYS HA H 1 3.838 0.001 . 1 . . . . . 63 LYS HA . 27987 1 627 . 1 . 1 63 63 LYS HB2 H 1 1.293 0.002 . 2 . . . . . 63 LYS HB2 . 27987 1 628 . 1 . 1 63 63 LYS HB3 H 1 1.422 0.002 . 2 . . . . . 63 LYS HB3 . 27987 1 629 . 1 . 1 63 63 LYS HG2 H 1 1.484 0.001 . 2 . . . . . 63 LYS HG2 . 27987 1 630 . 1 . 1 63 63 LYS HD2 H 1 1.192 0.000 . 2 . . . . . 63 LYS HD2 . 27987 1 631 . 1 . 1 63 63 LYS HD3 H 1 1.358 0.000 . 2 . . . . . 63 LYS HD3 . 27987 1 632 . 1 . 1 63 63 LYS HE2 H 1 2.852 0.001 . 2 . . . . . 63 LYS HE2 . 27987 1 633 . 1 . 1 63 63 LYS CA C 13 55.422 0.027 . 1 . . . . . 63 LYS CA . 27987 1 634 . 1 . 1 63 63 LYS CB C 13 32.525 0.031 . 1 . . . . . 63 LYS CB . 27987 1 635 . 1 . 1 63 63 LYS CG C 13 28.758 0.018 . 1 . . . . . 63 LYS CG . 27987 1 636 . 1 . 1 63 63 LYS CD C 13 24.881 0.007 . 1 . . . . . 63 LYS CD . 27987 1 637 . 1 . 1 63 63 LYS CE C 13 41.882 0.013 . 1 . . . . . 63 LYS CE . 27987 1 638 . 1 . 1 63 63 LYS N N 15 123.771 0.016 . 1 . . . . . 63 LYS N . 27987 1 639 . 1 . 1 64 64 CYS H H 1 6.681 0.001 . 1 . . . . . 64 CYS HN . 27987 1 640 . 1 . 1 64 64 CYS HA H 1 -1.171 0.003 . 1 . . . . . 64 CYS HA . 27987 1 641 . 1 . 1 64 64 CYS HB2 H 1 -0.734 0.002 . 2 . . . . . 64 CYS HB2 . 27987 1 642 . 1 . 1 64 64 CYS HB3 H 1 1.152 0.002 . 2 . . . . . 64 CYS HB3 . 27987 1 643 . 1 . 1 64 64 CYS CA C 13 55.559 0.021 . 1 . . . . . 64 CYS CA . 27987 1 644 . 1 . 1 64 64 CYS CB C 13 33.732 0.030 . 1 . . . . . 64 CYS CB . 27987 1 645 . 1 . 1 64 64 CYS N N 15 117.160 0.078 . 1 . . . . . 64 CYS N . 27987 1 646 . 1 . 1 65 65 GLY H H 1 8.446 0.001 . 1 . . . . . 65 GLY HN . 27987 1 647 . 1 . 1 65 65 GLY HA2 H 1 3.891 0.002 . 2 . . . . . 65 GLY HA1 . 27987 1 648 . 1 . 1 65 65 GLY HA3 H 1 5.255 0.000 . 2 . . . . . 65 GLY HA2 . 27987 1 649 . 1 . 1 65 65 GLY CA C 13 45.795 0.019 . 1 . . . . . 65 GLY CA . 27987 1 650 . 1 . 1 65 65 GLY N N 15 103.309 0.023 . 1 . . . . . 65 GLY N . 27987 1 651 . 1 . 1 66 66 ASP H H 1 7.060 0.001 . 1 . . . . . 66 ASP HN . 27987 1 652 . 1 . 1 66 66 ASP HA H 1 4.677 0.002 . 1 . . . . . 66 ASP HA . 27987 1 653 . 1 . 1 66 66 ASP HB2 H 1 2.189 0.002 . 2 . . . . . 66 ASP HB2 . 27987 1 654 . 1 . 1 66 66 ASP HB3 H 1 2.338 0.001 . 2 . . . . . 66 ASP HB3 . 27987 1 655 . 1 . 1 66 66 ASP CA C 13 54.928 0.019 . 1 . . . . . 66 ASP CA . 27987 1 656 . 1 . 1 66 66 ASP CB C 13 40.909 0.030 . 1 . . . . . 66 ASP CB . 27987 1 657 . 1 . 1 66 66 ASP N N 15 116.796 0.009 . 1 . . . . . 66 ASP N . 27987 1 658 . 1 . 1 67 67 CYS H H 1 6.843 0.002 . 1 . . . . . 67 CYS HN . 27987 1 659 . 1 . 1 67 67 CYS HA H 1 5.434 0.001 . 1 . . . . . 67 CYS HA . 27987 1 660 . 1 . 1 67 67 CYS HB2 H 1 1.820 0.001 . 2 . . . . . 67 CYS HB2 . 27987 1 661 . 1 . 1 67 67 CYS HB3 H 1 3.032 0.000 . 2 . . . . . 67 CYS HB3 . 27987 1 662 . 1 . 1 67 67 CYS CA C 13 57.329 0.017 . 1 . . . . . 67 CYS CA . 27987 1 663 . 1 . 1 67 67 CYS CB C 13 39.483 0.028 . 1 . . . . . 67 CYS CB . 27987 1 664 . 1 . 1 67 67 CYS N N 15 114.677 0.019 . 1 . . . . . 67 CYS N . 27987 1 665 . 1 . 1 68 68 HIS H H 1 11.714 0.003 . 1 . . . . . 68 HIS HN . 27987 1 666 . 1 . 1 68 68 HIS HA H 1 10.578 0.002 . 1 . . . . . 68 HIS HA . 27987 1 667 . 1 . 1 68 68 HIS HB2 H 1 9.146 0.004 . 2 . . . . . 68 HIS HB2 . 27987 1 668 . 1 . 1 68 68 HIS HB3 H 1 12.632 0.007 . 2 . . . . . 68 HIS HB3 . 27987 1 669 . 1 . 1 68 68 HIS CA C 13 80.111 0.022 . 1 . . . . . 68 HIS CA . 27987 1 670 . 1 . 1 68 68 HIS CB C 13 24.054 0.029 . 1 . . . . . 68 HIS CB . 27987 1 671 . 1 . 1 68 68 HIS N N 15 121.425 0.027 . 1 . . . . . 68 HIS N . 27987 1 672 . 1 . 1 69 69 LYS H H 1 10.538 0.001 . 1 . . . . . 69 LYS HN . 27987 1 673 . 1 . 1 69 69 LYS HA H 1 5.958 0.001 . 1 . . . . . 69 LYS HA . 27987 1 674 . 1 . 1 69 69 LYS HB2 H 1 2.777 0.002 . 2 . . . . . 69 LYS HB2 . 27987 1 675 . 1 . 1 69 69 LYS HB3 H 1 2.964 0.000 . 2 . . . . . 69 LYS HB3 . 27987 1 676 . 1 . 1 69 69 LYS HG2 H 1 2.220 0.000 . 2 . . . . . 69 LYS HG2 . 27987 1 677 . 1 . 1 69 69 LYS HG3 H 1 2.281 0.001 . 2 . . . . . 69 LYS HG3 . 27987 1 678 . 1 . 1 69 69 LYS HD2 H 1 2.239 0.000 . 2 . . . . . 69 LYS HD2 . 27987 1 679 . 1 . 1 69 69 LYS HE2 H 1 3.307 0.000 . 2 . . . . . 69 LYS HE2 . 27987 1 680 . 1 . 1 69 69 LYS CA C 13 57.012 0.014 . 1 . . . . . 69 LYS CA . 27987 1 681 . 1 . 1 69 69 LYS CB C 13 35.150 0.010 . 1 . . . . . 69 LYS CB . 27987 1 682 . 1 . 1 69 69 LYS CG C 13 25.600 0.010 . 1 . . . . . 69 LYS CG . 27987 1 683 . 1 . 1 69 69 LYS CD C 13 29.638 0.010 . 1 . . . . . 69 LYS CD . 27987 1 684 . 1 . 1 69 69 LYS CE C 13 42.844 0.011 . 1 . . . . . 69 LYS CE . 27987 1 685 . 1 . 1 69 69 LYS N N 15 127.700 0.012 . 1 . . . . . 69 LYS N . 27987 1 686 . 1 . 1 70 70 LYS H H 1 9.200 0.001 . 1 . . . . . 70 LYS HN . 27987 1 687 . 1 . 1 70 70 LYS HA H 1 5.078 0.000 . 1 . . . . . 70 LYS HA . 27987 1 688 . 1 . 1 70 70 LYS HB2 H 1 2.425 0.002 . 2 . . . . . 70 LYS HB2 . 27987 1 689 . 1 . 1 70 70 LYS HB3 H 1 2.494 0.001 . 2 . . . . . 70 LYS HB3 . 27987 1 690 . 1 . 1 70 70 LYS HG2 H 1 2.168 0.001 . 2 . . . . . 70 LYS HG2 . 27987 1 691 . 1 . 1 70 70 LYS HD2 H 1 2.233 0.002 . 2 . . . . . 70 LYS HD2 . 27987 1 692 . 1 . 1 70 70 LYS HE2 H 1 3.454 0.003 . 2 . . . . . 70 LYS HE2 . 27987 1 693 . 1 . 1 70 70 LYS CA C 13 58.991 0.025 . 1 . . . . . 70 LYS CA . 27987 1 694 . 1 . 1 70 70 LYS CB C 13 34.283 0.038 . 1 . . . . . 70 LYS CB . 27987 1 695 . 1 . 1 70 70 LYS CG C 13 25.699 0.021 . 1 . . . . . 70 LYS CG . 27987 1 696 . 1 . 1 70 70 LYS CD C 13 29.737 0.020 . 1 . . . . . 70 LYS CD . 27987 1 697 . 1 . 1 70 70 LYS CE C 13 42.659 0.014 . 1 . . . . . 70 LYS CE . 27987 1 698 . 1 . 1 70 70 LYS N N 15 130.178 0.010 . 1 . . . . . 70 LYS N . 27987 1 699 . 2 . 2 1 1 HEM HA62 H 1 0.988 0.000 . 2 . . . . . 30 HEM HA62 . 27987 1 700 . 2 . 2 1 1 HEM HA63 H 1 9.028 0.000 . 2 . . . . . 30 HEM HA63 . 27987 1 701 . 2 . 2 1 1 HEM HA72 H 1 -1.354 0.000 . 2 . . . . . 30 HEM HA72 . 27987 1 702 . 2 . 2 1 1 HEM HA73 H 1 3.351 0.000 . 2 . . . . . 30 HEM HA73 . 27987 1 703 . 2 . 2 1 1 HEM HB62 H 1 -1.201 0.000 . 2 . . . . . 30 HEM HB62 . 27987 1 704 . 2 . 2 1 1 HEM HB63 H 1 -0.520 0.000 . 2 . . . . . 30 HEM HB63 . 27987 1 705 . 2 . 2 1 1 HEM HB72 H 1 -0.219 0.000 . 2 . . . . . 30 HEM HB72 . 27987 1 706 . 2 . 2 1 1 HEM HB73 H 1 0.223 0.000 . 2 . . . . . 30 HEM HB73 . 27987 1 707 . 2 . 2 1 1 HEM HBM H 1 -1.994 0.000 . 1 . . . . . 30 HEM HBM . 27987 1 708 . 2 . 2 1 1 HEM HDM H 1 0.025 0.000 . 1 . . . . . 30 HEM HDM . 27987 1 709 . 2 . 2 1 1 HEM HGM H 1 5.940 0.000 . 1 . . . . . 30 HEM HGM . 27987 1 710 . 2 . 2 1 1 HEM HT4A H 1 -4.161 0.000 . 1 . . . . . 30 HEM HT4A . 27987 1 711 . 2 . 2 1 1 HEM CAA C 13 -3.076 0.024 . 2 . . . . . 30 HEM CAA . 27987 1 712 . 2 . 2 1 1 HEM CAC C 13 -3.032 0.000 . 1 . . . . . 30 HEM CAC . 27987 1 713 . 2 . 2 1 1 HEM CAD C 13 -12.886 0.060 . 2 . . . . . 30 HEM CAD . 27987 1 714 . 2 . 2 1 1 HEM CBA C 13 68.554 0.006 . 2 . . . . . 30 HEM CBA . 27987 1 715 . 2 . 2 1 1 HEM CBB C 13 70.038 0.000 . 1 . . . . . 30 HEM CBB . 27987 1 716 . 2 . 2 1 1 HEM CBC C 13 45.140 0.000 . 1 . . . . . 30 HEM CBC . 27987 1 717 . 2 . 2 1 1 HEM CBD C 13 87.327 0.013 . 2 . . . . . 30 HEM CBD . 27987 1 718 . 2 . 2 1 1 HEM CHA C 13 -9.853 0.000 . 1 . . . . . 30 HEM CHA . 27987 1 719 . 2 . 2 1 1 HEM CHB C 13 20.944 0.000 . 1 . . . . . 30 HEM CHB . 27987 1 720 . 2 . 2 1 1 HEM CHD C 13 28.376 0.000 . 1 . . . . . 30 HEM CHD . 27987 1 721 . 2 . 2 1 1 HEM CMA C 13 -39.300 0.000 . 1 . . . . . 30 HEM CMA . 27987 1 722 . 2 . 2 1 1 HEM CMB C 13 -39.053 0.000 . 1 . . . . . 30 HEM CMB . 27987 1 723 . 2 . 2 1 1 HEM CMC C 13 -14.820 0.000 . 1 . . . . . 30 HEM CMC . 27987 1 724 . 2 . 2 1 1 HEM CMD C 13 -55.990 0.000 . 1 . . . . . 30 HEM CMD . 27987 1 725 . 2 . 2 1 1 HEM QM1 H 1 19.945 0.000 . 1 . . . . . 30 HEM QM1 . 27987 1 726 . 2 . 2 1 1 HEM QM3 H 1 6.259 0.000 . 1 . . . . . 30 HEM QM3 . 27987 1 727 . 2 . 2 1 1 HEM QM5 H 1 25.009 0.000 . 1 . . . . . 30 HEM QM5 . 27987 1 728 . 2 . 2 1 1 HEM QM8 H 1 16.264 0.000 . 1 . . . . . 30 HEM QM8 . 27987 1 729 . 2 . 2 1 1 HEM QT2 H 1 1.692 0.000 . 1 . . . . . 30 HEM QT2 . 27987 1 730 . 2 . 2 1 1 HEM QT4 H 1 -3.982 0.000 . 1 . . . . . 30 HEM QT4 . 27987 1 731 . 3 . 2 1 1 HEM HA62 H 1 14.678 0.000 . 2 . . . . . 53 HEM HA62 . 27987 1 732 . 3 . 2 1 1 HEM HA63 H 1 22.341 0.000 . 2 . . . . . 53 HEM HA63 . 27987 1 733 . 3 . 2 1 1 HEM HA72 H 1 3.073 0.000 . 2 . . . . . 53 HEM HA72 . 27987 1 734 . 3 . 2 1 1 HEM HA73 H 1 5.233 0.000 . 2 . . . . . 53 HEM HA73 . 27987 1 735 . 3 . 2 1 1 HEM HB62 H 1 -2.747 0.000 . 2 . . . . . 53 HEM HB62 . 27987 1 736 . 3 . 2 1 1 HEM HB63 H 1 -1.089 0.000 . 2 . . . . . 53 HEM HB63 . 27987 1 737 . 3 . 2 1 1 HEM HB72 H 1 -2.307 0.000 . 2 . . . . . 53 HEM HB72 . 27987 1 738 . 3 . 2 1 1 HEM HB73 H 1 -1.982 0.000 . 2 . . . . . 53 HEM HB73 . 27987 1 739 . 3 . 2 1 1 HEM HAM H 1 -4.838 0.000 . 1 . . . . . 53 HEM HAM . 27987 1 740 . 3 . 2 1 1 HEM HDM H 1 7.479 0.000 . 1 . . . . . 53 HEM HDM . 27987 1 741 . 3 . 2 1 1 HEM HGM H 1 -1.533 0.000 . 1 . . . . . 53 HEM HGM . 27987 1 742 . 3 . 2 1 1 HEM HT2A H 1 -1.372 0.000 . 1 . . . . . 53 HEM HT2A . 27987 1 743 . 3 . 2 1 1 HEM CAA C 13 -15.887 0.004 . 2 . . . . . 53 HEM CAA . 27987 1 744 . 3 . 2 1 1 HEM CAB C 13 -20.944 0.000 . 1 . . . . . 53 HEM CAB . 27987 1 745 . 3 . 2 1 1 HEM CAD C 13 -60.222 0.010 . 2 . . . . . 53 HEM CAD . 27987 1 746 . 3 . 2 1 1 HEM CBA C 13 86.265 0.006 . 2 . . . . . 53 HEM CBA . 27987 1 747 . 3 . 2 1 1 HEM CBB C 13 62.034 0.000 . 1 . . . . . 53 HEM CBB . 27987 1 748 . 3 . 2 1 1 HEM CBC C 13 14.559 0.000 . 1 . . . . . 53 HEM CBC . 27987 1 749 . 3 . 2 1 1 HEM CBD C 13 169.541 0.000 . 2 . . . . . 53 HEM CBD . 27987 1 750 . 3 . 2 1 1 HEM CHA C 13 40.128 0.000 . 1 . . . . . 53 HEM CHA . 27987 1 751 . 3 . 2 1 1 HEM CHB C 13 45.863 0.000 . 1 . . . . . 53 HEM CHB . 27987 1 752 . 3 . 2 1 1 HEM CHC C 13 45.397 0.000 . 1 . . . . . 53 HEM CHC . 27987 1 753 . 3 . 2 1 1 HEM CMA C 13 -2.773 0.000 . 1 . . . . . 53 HEM CMA . 27987 1 754 . 3 . 2 1 1 HEM CMB C 13 -21.071 0.000 . 1 . . . . . 53 HEM CMB . 27987 1 755 . 3 . 2 1 1 HEM CMC C 13 -39.304 0.000 . 1 . . . . . 53 HEM CMC . 27987 1 756 . 3 . 2 1 1 HEM CMD C 13 -26.318 0.000 . 1 . . . . . 53 HEM CMD . 27987 1 757 . 3 . 2 1 1 HEM QM1 H 1 10.209 0.000 . 1 . . . . . 53 HEM QM1 . 27987 1 758 . 3 . 2 1 1 HEM QM3 H 1 16.262 0.000 . 1 . . . . . 53 HEM QM3 . 27987 1 759 . 3 . 2 1 1 HEM QM5 H 1 14.966 0.000 . 1 . . . . . 53 HEM QM5 . 27987 1 760 . 3 . 2 1 1 HEM QM8 H 1 0.952 0.000 . 1 . . . . . 53 HEM QM8 . 27987 1 761 . 3 . 2 1 1 HEM QT2 H 1 -1.921 0.000 . 1 . . . . . 53 HEM QT2 . 27987 1 762 . 3 . 2 1 1 HEM QT4 H 1 -1.148 0.000 . 1 . . . . . 53 HEM QT4 . 27987 1 763 . 4 . 2 1 1 HEM HA62 H 1 3.112 0.000 . 2 . . . . . 67 HEM HA62 . 27987 1 764 . 4 . 2 1 1 HEM HA63 H 1 4.296 0.000 . 2 . . . . . 67 HEM HA63 . 27987 1 765 . 4 . 2 1 1 HEM HA72 H 1 4.008 0.000 . 2 . . . . . 67 HEM HA72 . 27987 1 766 . 4 . 2 1 1 HEM HA73 H 1 4.505 0.000 . 2 . . . . . 67 HEM HA73 . 27987 1 767 . 4 . 2 1 1 HEM HB62 H 1 -0.683 0.000 . 2 . . . . . 67 HEM HB62 . 27987 1 768 . 4 . 2 1 1 HEM HB63 H 1 -0.185 0.000 . 2 . . . . . 67 HEM HB63 . 27987 1 769 . 4 . 2 1 1 HEM HB72 H 1 -0.727 0.000 . 2 . . . . . 67 HEM HB72 . 27987 1 770 . 4 . 2 1 1 HEM HB73 H 1 -0.108 0.000 . 2 . . . . . 67 HEM HB73 . 27987 1 771 . 4 . 2 1 1 HEM HBM H 1 0.240 0.000 . 1 . . . . . 67 HEM HBM . 27987 1 772 . 4 . 2 1 1 HEM HDM H 1 -1.039 0.000 . 1 . . . . . 67 HEM HDM . 27987 1 773 . 4 . 2 1 1 HEM HT2A H 1 0.223 0.000 . 1 . . . . . 67 HEM HT2A . 27987 1 774 . 4 . 2 1 1 HEM HT4A H 1 0.031 0.000 . 1 . . . . . 67 HEM HT4A . 27987 1 775 . 4 . 2 1 1 HEM CAA C 13 -16.770 0.005 . 2 . . . . . 67 HEM CAA . 27987 1 776 . 4 . 2 1 1 HEM CAB C 13 -8.041 0.000 . 1 . . . . . 67 HEM CAB . 27987 1 777 . 4 . 2 1 1 HEM CAC C 13 -8.667 0.000 . 1 . . . . . 67 HEM CAC . 27987 1 778 . 4 . 2 1 1 HEM CAD C 13 -17.267 0.007 . 2 . . . . . 67 HEM CAD . 27987 1 779 . 4 . 2 1 1 HEM CBA C 13 94.236 0.000 . 2 . . . . . 67 HEM CBA . 27987 1 780 . 4 . 2 1 1 HEM CBB C 13 62.660 0.000 . 1 . . . . . 67 HEM CBB . 27987 1 781 . 4 . 2 1 1 HEM CBC C 13 63.506 0.000 . 1 . . . . . 67 HEM CBC . 27987 1 782 . 4 . 2 1 1 HEM CBD C 13 93.153 0.000 . 2 . . . . . 67 HEM CBD . 27987 1 783 . 4 . 2 1 1 HEM CHB C 13 27.830 0.000 . 1 . . . . . 67 HEM CHB . 27987 1 784 . 4 . 2 1 1 HEM CHD C 13 21.087 0.000 . 1 . . . . . 67 HEM CHD . 27987 1 785 . 4 . 2 1 1 HEM CMA C 13 -37.648 0.000 . 1 . . . . . 67 HEM CMA . 27987 1 786 . 4 . 2 1 1 HEM CMB C 13 -32.843 0.000 . 1 . . . . . 67 HEM CMB . 27987 1 787 . 4 . 2 1 1 HEM CMC C 13 -23.438 0.000 . 1 . . . . . 67 HEM CMC . 27987 1 788 . 4 . 2 1 1 HEM CMD C 13 -36.825 0.000 . 1 . . . . . 67 HEM CMD . 27987 1 789 . 4 . 2 1 1 HEM QM1 H 1 14.401 0.000 . 1 . . . . . 67 HEM QM1 . 27987 1 790 . 4 . 2 1 1 HEM QM3 H 1 10.992 0.000 . 1 . . . . . 67 HEM QM3 . 27987 1 791 . 4 . 2 1 1 HEM QM5 H 1 15.563 0.000 . 1 . . . . . 67 HEM QM5 . 27987 1 792 . 4 . 2 1 1 HEM QM8 H 1 15.401 0.000 . 1 . . . . . 67 HEM QM8 . 27987 1 793 . 4 . 2 1 1 HEM QT2 H 1 1.720 0.000 . 1 . . . . . 67 HEM QT2 . 27987 1 794 . 4 . 2 1 1 HEM QT4 H 1 1.217 0.000 . 1 . . . . . 67 HEM QT4 . 27987 1 stop_ save_