################################### # 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 16215 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions4cs _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' . . . 16215 1 2 '2D 1H-13C HSQC' . . . 16215 1 3 '3D HNCO' . . . 16215 1 4 '3D HNCA' . . . 16215 1 5 '3D HNCACB' . . . 16215 1 6 '3D CBCA(CO)NH' . . . 16215 1 7 '3D HN(CO)CA' . . . 16215 1 8 '3D HBHA(CO)NH' . . . 16215 1 9 '3D HCACO' . . . 16215 1 10 '3D HCCH-COSY' . . . 16215 1 11 '3D 1H-15N TOCSY' . . . 16215 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 $PIPP . . 16215 1 2 $NMRDraw . . 16215 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 ASP HA H 1 4.255 . . . . . . . 2 ASP HA . 16215 1 2 . 1 1 1 1 ASP HB2 H 1 2.860 . . . . . . . 2 ASP HB# . 16215 1 3 . 1 1 1 1 ASP HB3 H 1 2.860 . . . . . . . 2 ASP HB# . 16215 1 4 . 1 1 1 1 ASP CA C 13 53.528 . . . . . . . 2 ASP CA . 16215 1 5 . 1 1 1 1 ASP CB C 13 40.777 . . . . . . . 2 ASP CB . 16215 1 6 . 1 1 2 2 LYS HA H 1 4.300 . . . . . . . 3 LYS HA . 16215 1 7 . 1 1 2 2 LYS HB2 H 1 1.868 . . . . . . . 3 LYS HB1 . 16215 1 8 . 1 1 2 2 LYS HB3 H 1 1.803 . . . . . . . 3 LYS HB2 . 16215 1 9 . 1 1 2 2 LYS HD2 H 1 1.693 . . . . . . . 3 LYS HD# . 16215 1 10 . 1 1 2 2 LYS HD3 H 1 1.693 . . . . . . . 3 LYS HD# . 16215 1 11 . 1 1 2 2 LYS HE2 H 1 3.041 . . . . . . . 3 LYS HE# . 16215 1 12 . 1 1 2 2 LYS HE3 H 1 3.041 . . . . . . . 3 LYS HE# . 16215 1 13 . 1 1 2 2 LYS HG2 H 1 1.452 . . . . . . . 3 LYS HG# . 16215 1 14 . 1 1 2 2 LYS HG3 H 1 1.452 . . . . . . . 3 LYS HG# . 16215 1 15 . 1 1 2 2 LYS C C 13 176.915 . . . . . . . 3 LYS C . 16215 1 16 . 1 1 2 2 LYS CA C 13 57.379 . . . . . . . 3 LYS CA . 16215 1 17 . 1 1 2 2 LYS CB C 13 32.669 . . . . . . . 3 LYS CB . 16215 1 18 . 1 1 2 2 LYS CD C 13 29.174 . . . . . . . 3 LYS CD . 16215 1 19 . 1 1 2 2 LYS CE C 13 42.628 . . . . . . . 3 LYS CE . 16215 1 20 . 1 1 2 2 LYS CG C 13 24.638 . . . . . . . 3 LYS CG . 16215 1 21 . 1 1 3 3 CYS H H 1 8.441 . . . . . . . 4 CYS HN . 16215 1 22 . 1 1 3 3 CYS HA H 1 4.695 . . . . . . . 4 CYS HA . 16215 1 23 . 1 1 3 3 CYS HB2 H 1 3.353 . . . . . . . 4 CYS HB1 . 16215 1 24 . 1 1 3 3 CYS HB3 H 1 3.024 . . . . . . . 4 CYS HB2 . 16215 1 25 . 1 1 3 3 CYS C C 13 174.433 . . . . . . . 4 CYS C . 16215 1 26 . 1 1 3 3 CYS CA C 13 57.165 . . . . . . . 4 CYS CA . 16215 1 27 . 1 1 3 3 CYS CB C 13 41.834 . . . . . . . 4 CYS CB . 16215 1 28 . 1 1 3 3 CYS N N 15 117.134 . . . . . . . 4 CYS N . 16215 1 29 . 1 1 4 4 LYS H H 1 7.953 . . . . . . . 5 LYS HN . 16215 1 30 . 1 1 4 4 LYS HA H 1 5.531 . . . . . . . 5 LYS HA . 16215 1 31 . 1 1 4 4 LYS HB2 H 1 1.748 . . . . . . . 5 LYS HB1 . 16215 1 32 . 1 1 4 4 LYS HB3 H 1 1.497 . . . . . . . 5 LYS HB2 . 16215 1 33 . 1 1 4 4 LYS HD2 H 1 1.476 . . . . . . . 5 LYS HD# . 16215 1 34 . 1 1 4 4 LYS HD3 H 1 1.476 . . . . . . . 5 LYS HD# . 16215 1 35 . 1 1 4 4 LYS HE2 H 1 2.877 . . . . . . . 5 LYS HE# . 16215 1 36 . 1 1 4 4 LYS HE3 H 1 2.877 . . . . . . . 5 LYS HE# . 16215 1 37 . 1 1 4 4 LYS HG2 H 1 1.343 . . . . . . . 5 LYS HG1 . 16215 1 38 . 1 1 4 4 LYS HG3 H 1 1.299 . . . . . . . 5 LYS HG2 . 16215 1 39 . 1 1 4 4 LYS C C 13 176.808 . . . . . . . 5 LYS C . 16215 1 40 . 1 1 4 4 LYS CA C 13 54.964 . . . . . . . 5 LYS CA . 16215 1 41 . 1 1 4 4 LYS CB C 13 34.543 . . . . . . . 5 LYS CB . 16215 1 42 . 1 1 4 4 LYS CD C 13 29.168 . . . . . . . 5 LYS CD . 16215 1 43 . 1 1 4 4 LYS CE C 13 42.368 . . . . . . . 5 LYS CE . 16215 1 44 . 1 1 4 4 LYS CG C 13 25.529 . . . . . . . 5 LYS CG . 16215 1 45 . 1 1 4 4 LYS N N 15 118.922 . . . . . . . 5 LYS N . 16215 1 46 . 1 1 5 5 LYS H H 1 8.971 . . . . . . . 6 LYS HN . 16215 1 47 . 1 1 5 5 LYS HA H 1 4.743 . . . . . . . 6 LYS HA . 16215 1 48 . 1 1 5 5 LYS HB2 H 1 1.897 . . . . . . . 6 LYS HB1 . 16215 1 49 . 1 1 5 5 LYS HB3 H 1 1.804 . . . . . . . 6 LYS HB2 . 16215 1 50 . 1 1 5 5 LYS HD2 H 1 1.630 . . . . . . . 6 LYS HD1 . 16215 1 51 . 1 1 5 5 LYS HD3 H 1 1.485 . . . . . . . 6 LYS HD2 . 16215 1 52 . 1 1 5 5 LYS HE2 H 1 2.794 . . . . . . . 6 LYS HE# . 16215 1 53 . 1 1 5 5 LYS HE3 H 1 2.794 . . . . . . . 6 LYS HE# . 16215 1 54 . 1 1 5 5 LYS HG2 H 1 1.448 . . . . . . . 6 LYS HG1 . 16215 1 55 . 1 1 5 5 LYS HG3 H 1 1.348 . . . . . . . 6 LYS HG2 . 16215 1 56 . 1 1 5 5 LYS C C 13 176.094 . . . . . . . 6 LYS C . 16215 1 57 . 1 1 5 5 LYS CA C 13 55.281 . . . . . . . 6 LYS CA . 16215 1 58 . 1 1 5 5 LYS CB C 13 36.853 . . . . . . . 6 LYS CB . 16215 1 59 . 1 1 5 5 LYS CD C 13 29.219 . . . . . . . 6 LYS CD . 16215 1 60 . 1 1 5 5 LYS CE C 13 42.170 . . . . . . . 6 LYS CE . 16215 1 61 . 1 1 5 5 LYS CG C 13 24.798 . . . . . . . 6 LYS CG . 16215 1 62 . 1 1 5 5 LYS N N 15 121.315 . . . . . . . 6 LYS N . 16215 1 63 . 1 1 6 6 VAL H H 1 8.780 . . . . . . . 7 VAL HN . 16215 1 64 . 1 1 6 6 VAL HA H 1 3.977 . . . . . . . 7 VAL HA . 16215 1 65 . 1 1 6 6 VAL HB H 1 2.029 . . . . . . . 7 VAL HB . 16215 1 66 . 1 1 6 6 VAL HG11 H 1 0.899 . . . . . . . 7 VAL HG1# . 16215 1 67 . 1 1 6 6 VAL HG12 H 1 0.899 . . . . . . . 7 VAL HG1# . 16215 1 68 . 1 1 6 6 VAL HG13 H 1 0.899 . . . . . . . 7 VAL HG1# . 16215 1 69 . 1 1 6 6 VAL HG21 H 1 1.029 . . . . . . . 7 VAL HG2# . 16215 1 70 . 1 1 6 6 VAL HG22 H 1 1.029 . . . . . . . 7 VAL HG2# . 16215 1 71 . 1 1 6 6 VAL HG23 H 1 1.029 . . . . . . . 7 VAL HG2# . 16215 1 72 . 1 1 6 6 VAL C C 13 175.165 . . . . . . . 7 VAL C . 16215 1 73 . 1 1 6 6 VAL CA C 13 63.768 . . . . . . . 7 VAL CA . 16215 1 74 . 1 1 6 6 VAL CB C 13 33.082 . . . . . . . 7 VAL CB . 16215 1 75 . 1 1 6 6 VAL CG1 C 13 20.938 . . . . . . . 7 VAL CG1 . 16215 1 76 . 1 1 6 6 VAL CG2 C 13 22.615 . . . . . . . 7 VAL CG2 . 16215 1 77 . 1 1 6 6 VAL N N 15 127.671 . . . . . . . 7 VAL N . 16215 1 78 . 1 1 7 7 TYR H H 1 9.210 . . . . . . . 8 TYR HN . 16215 1 79 . 1 1 7 7 TYR HA H 1 4.401 . . . . . . . 8 TYR HA . 16215 1 80 . 1 1 7 7 TYR HB2 H 1 3.088 . . . . . . . 8 TYR HB1 . 16215 1 81 . 1 1 7 7 TYR HB3 H 1 2.723 . . . . . . . 8 TYR HB2 . 16215 1 82 . 1 1 7 7 TYR HD1 H 1 6.927 . . . . . . . 8 TYR HD1 . 16215 1 83 . 1 1 7 7 TYR HE1 H 1 6.799 . . . . . . . 8 TYR HE1 . 16215 1 84 . 1 1 7 7 TYR C C 13 175.201 . . . . . . . 8 TYR C . 16215 1 85 . 1 1 7 7 TYR CA C 13 55.560 . . . . . . . 8 TYR CA . 16215 1 86 . 1 1 7 7 TYR CB C 13 35.937 . . . . . . . 8 TYR CB . 16215 1 87 . 1 1 7 7 TYR CD1 C 13 132.817 . . . . . . . 8 TYR CD1 . 16215 1 88 . 1 1 7 7 TYR CE1 C 13 118.419 . . . . . . . 8 TYR CE1 . 16215 1 89 . 1 1 7 7 TYR N N 15 130.170 . . . . . . . 8 TYR N . 16215 1 90 . 1 1 8 8 GLU H H 1 8.991 . . . . . . . 9 GLU HN . 16215 1 91 . 1 1 8 8 GLU HA H 1 4.153 . . . . . . . 9 GLU HA . 16215 1 92 . 1 1 8 8 GLU HB2 H 1 2.072 . . . . . . . 9 GLU HB1 . 16215 1 93 . 1 1 8 8 GLU HB3 H 1 1.995 . . . . . . . 9 GLU HB2 . 16215 1 94 . 1 1 8 8 GLU HG2 H 1 2.389 . . . . . . . 9 GLU HG# . 16215 1 95 . 1 1 8 8 GLU HG3 H 1 2.389 . . . . . . . 9 GLU HG# . 16215 1 96 . 1 1 8 8 GLU C C 13 177.005 . . . . . . . 9 GLU C . 16215 1 97 . 1 1 8 8 GLU CA C 13 58.321 . . . . . . . 9 GLU CA . 16215 1 98 . 1 1 8 8 GLU CB C 13 29.278 . . . . . . . 9 GLU CB . 16215 1 99 . 1 1 8 8 GLU CG C 13 36.094 . . . . . . . 9 GLU CG . 16215 1 100 . 1 1 8 8 GLU N N 15 130.902 . . . . . . . 9 GLU N . 16215 1 101 . 1 1 9 9 ASN H H 1 9.250 . . . . . . . 10 ASN HN . 16215 1 102 . 1 1 9 9 ASN HA H 1 4.391 . . . . . . . 10 ASN HA . 16215 1 103 . 1 1 9 9 ASN HB2 H 1 3.088 . . . . . . . 10 ASN HB1 . 16215 1 104 . 1 1 9 9 ASN HB3 H 1 3.017 . . . . . . . 10 ASN HB2 . 16215 1 105 . 1 1 9 9 ASN HD21 H 1 6.934 . . . . . . . 10 ASN HD21 . 16215 1 106 . 1 1 9 9 ASN HD22 H 1 7.583 . . . . . . . 10 ASN HD22 . 16215 1 107 . 1 1 9 9 ASN C C 13 174.433 . . . . . . . 10 ASN C . 16215 1 108 . 1 1 9 9 ASN CA C 13 54.484 . . . . . . . 10 ASN CA . 16215 1 109 . 1 1 9 9 ASN CB C 13 37.262 . . . . . . . 10 ASN CB . 16215 1 110 . 1 1 9 9 ASN N N 15 116.256 . . . . . . . 10 ASN N . 16215 1 111 . 1 1 9 9 ASN ND2 N 15 113.582 . . . . . . . 10 ASN ND2 . 16215 1 112 . 1 1 10 10 TYR H H 1 7.497 . . . . . . . 11 TYR HN . 16215 1 113 . 1 1 10 10 TYR HA H 1 4.167 . . . . . . . 11 TYR HA . 16215 1 114 . 1 1 10 10 TYR HB2 H 1 2.820 . . . . . . . 11 TYR HB1 . 16215 1 115 . 1 1 10 10 TYR HB3 H 1 2.745 . . . . . . . 11 TYR HB2 . 16215 1 116 . 1 1 10 10 TYR HD1 H 1 7.095 . . . . . . . 11 TYR HD1 . 16215 1 117 . 1 1 10 10 TYR HE1 H 1 6.813 . . . . . . . 11 TYR HE1 . 16215 1 118 . 1 1 10 10 TYR CA C 13 57.288 . . . . . . . 11 TYR CA . 16215 1 119 . 1 1 10 10 TYR CB C 13 39.057 . . . . . . . 11 TYR CB . 16215 1 120 . 1 1 10 10 TYR CD1 C 13 133.446 . . . . . . . 11 TYR CD1 . 16215 1 121 . 1 1 10 10 TYR CE1 C 13 118.143 . . . . . . . 11 TYR CE1 . 16215 1 122 . 1 1 10 10 TYR N N 15 122.687 . . . . . . . 11 TYR N . 16215 1 123 . 1 1 11 11 PRO HA H 1 4.452 . . . . . . . 12 PRO HA . 16215 1 124 . 1 1 11 11 PRO HB2 H 1 2.063 . . . . . . . 12 PRO HB1 . 16215 1 125 . 1 1 11 11 PRO HB3 H 1 1.741 . . . . . . . 12 PRO HB2 . 16215 1 126 . 1 1 11 11 PRO HD2 H 1 3.512 . . . . . . . 12 PRO HD1 . 16215 1 127 . 1 1 11 11 PRO HD3 H 1 2.131 . . . . . . . 12 PRO HD2 . 16215 1 128 . 1 1 11 11 PRO HG2 H 1 1.751 . . . . . . . 12 PRO HG1 . 16215 1 129 . 1 1 11 11 PRO HG3 H 1 1.614 . . . . . . . 12 PRO HG2 . 16215 1 130 . 1 1 11 11 PRO C C 13 177.130 . . . . . . . 12 PRO C . 16215 1 131 . 1 1 11 11 PRO CA C 13 62.104 . . . . . . . 12 PRO CA . 16215 1 132 . 1 1 11 11 PRO CB C 13 30.442 . . . . . . . 12 PRO CB . 16215 1 133 . 1 1 11 11 PRO CD C 13 50.381 . . . . . . . 12 PRO CD . 16215 1 134 . 1 1 11 11 PRO CG C 13 27.562 . . . . . . . 12 PRO CG . 16215 1 135 . 1 1 12 12 VAL H H 1 8.068 . . . . . . . 13 VAL HN . 16215 1 136 . 1 1 12 12 VAL HA H 1 3.799 . . . . . . . 13 VAL HA . 16215 1 137 . 1 1 12 12 VAL HB H 1 2.212 . . . . . . . 13 VAL HB . 16215 1 138 . 1 1 12 12 VAL HG11 H 1 1.109 . . . . . . . 13 VAL HG1# . 16215 1 139 . 1 1 12 12 VAL HG12 H 1 1.109 . . . . . . . 13 VAL HG1# . 16215 1 140 . 1 1 12 12 VAL HG13 H 1 1.109 . . . . . . . 13 VAL HG1# . 16215 1 141 . 1 1 12 12 VAL HG21 H 1 1.089 . . . . . . . 13 VAL HG2# . 16215 1 142 . 1 1 12 12 VAL HG22 H 1 1.089 . . . . . . . 13 VAL HG2# . 16215 1 143 . 1 1 12 12 VAL HG23 H 1 1.089 . . . . . . . 13 VAL HG2# . 16215 1 144 . 1 1 12 12 VAL C C 13 178.665 . . . . . . . 13 VAL C . 16215 1 145 . 1 1 12 12 VAL CA C 13 65.754 . . . . . . . 13 VAL CA . 16215 1 146 . 1 1 12 12 VAL CB C 13 31.463 . . . . . . . 13 VAL CB . 16215 1 147 . 1 1 12 12 VAL CG1 C 13 21.434 . . . . . . . 13 VAL CG1 . 16215 1 148 . 1 1 12 12 VAL CG2 C 13 20.628 . . . . . . . 13 VAL CG2 . 16215 1 149 . 1 1 12 12 VAL N N 15 124.086 . . . . . . . 13 VAL N . 16215 1 150 . 1 1 13 13 SER H H 1 8.378 . . . . . . . 14 SER HN . 16215 1 151 . 1 1 13 13 SER HA H 1 4.144 . . . . . . . 14 SER HA . 16215 1 152 . 1 1 13 13 SER HB2 H 1 3.837 . . . . . . . 14 SER HB# . 16215 1 153 . 1 1 13 13 SER HB3 H 1 3.837 . . . . . . . 14 SER HB# . 16215 1 154 . 1 1 13 13 SER C C 13 177.915 . . . . . . . 14 SER C . 16215 1 155 . 1 1 13 13 SER CA C 13 61.044 . . . . . . . 14 SER CA . 16215 1 156 . 1 1 13 13 SER CB C 13 61.647 . . . . . . . 14 SER CB . 16215 1 157 . 1 1 13 13 SER N N 15 117.391 . . . . . . . 14 SER N . 16215 1 158 . 1 1 14 14 LYS H H 1 7.841 . . . . . . . 15 LYS HN . 16215 1 159 . 1 1 14 14 LYS HA H 1 4.054 . . . . . . . 15 LYS HA . 16215 1 160 . 1 1 14 14 LYS HB2 H 1 1.919 . . . . . . . 15 LYS HB1 . 16215 1 161 . 1 1 14 14 LYS HB3 H 1 1.830 . . . . . . . 15 LYS HB2 . 16215 1 162 . 1 1 14 14 LYS HD2 H 1 1.468 . . . . . . . 15 LYS HD1 . 16215 1 163 . 1 1 14 14 LYS HD3 H 1 1.320 . . . . . . . 15 LYS HD2 . 16215 1 164 . 1 1 14 14 LYS HE2 H 1 2.728 . . . . . . . 15 LYS HE1 . 16215 1 165 . 1 1 14 14 LYS HE3 H 1 2.650 . . . . . . . 15 LYS HE2 . 16215 1 166 . 1 1 14 14 LYS HG2 H 1 1.422 . . . . . . . 15 LYS HG1 . 16215 1 167 . 1 1 14 14 LYS HG3 H 1 1.190 . . . . . . . 15 LYS HG2 . 16215 1 168 . 1 1 14 14 LYS C C 13 178.844 . . . . . . . 15 LYS C . 16215 1 169 . 1 1 14 14 LYS CA C 13 59.705 . . . . . . . 15 LYS CA . 16215 1 170 . 1 1 14 14 LYS CB C 13 31.553 . . . . . . . 15 LYS CB . 16215 1 171 . 1 1 14 14 LYS CD C 13 29.412 . . . . . . . 15 LYS CD . 16215 1 172 . 1 1 14 14 LYS CE C 13 41.702 . . . . . . . 15 LYS CE . 16215 1 173 . 1 1 14 14 LYS CG C 13 27.175 . . . . . . . 15 LYS CG . 16215 1 174 . 1 1 14 14 LYS N N 15 121.444 . . . . . . . 15 LYS N . 16215 1 175 . 1 1 15 15 CYS H H 1 7.847 . . . . . . . 16 CYS HN . 16215 1 176 . 1 1 15 15 CYS HA H 1 4.751 . . . . . . . 16 CYS HA . 16215 1 177 . 1 1 15 15 CYS HB2 H 1 3.214 . . . . . . . 16 CYS HB1 . 16215 1 178 . 1 1 15 15 CYS HB3 H 1 3.010 . . . . . . . 16 CYS HB2 . 16215 1 179 . 1 1 15 15 CYS C C 13 175.844 . . . . . . . 16 CYS C . 16215 1 180 . 1 1 15 15 CYS CA C 13 58.013 . . . . . . . 16 CYS CA . 16215 1 181 . 1 1 15 15 CYS CB C 13 40.586 . . . . . . . 16 CYS CB . 16215 1 182 . 1 1 15 15 CYS N N 15 115.810 . . . . . . . 16 CYS N . 16215 1 183 . 1 1 16 16 GLN H H 1 7.367 . . . . . . . 17 GLN HN . 16215 1 184 . 1 1 16 16 GLN HA H 1 4.227 . . . . . . . 17 GLN HA . 16215 1 185 . 1 1 16 16 GLN HB2 H 1 2.264 . . . . . . . 17 GLN HB1 . 16215 1 186 . 1 1 16 16 GLN HB3 H 1 2.013 . . . . . . . 17 GLN HB2 . 16215 1 187 . 1 1 16 16 GLN HE21 H 1 6.711 . . . . . . . 17 GLN HE21 . 16215 1 188 . 1 1 16 16 GLN HE22 H 1 7.296 . . . . . . . 17 GLN HE22 . 16215 1 189 . 1 1 16 16 GLN HG2 H 1 2.401 . . . . . . . 17 GLN HG1 . 16215 1 190 . 1 1 16 16 GLN HG3 H 1 2.381 . . . . . . . 17 GLN HG2 . 16215 1 191 . 1 1 16 16 GLN C C 13 175.487 . . . . . . . 17 GLN C . 16215 1 192 . 1 1 16 16 GLN CA C 13 56.460 . . . . . . . 17 GLN CA . 16215 1 193 . 1 1 16 16 GLN CB C 13 28.813 . . . . . . . 17 GLN CB . 16215 1 194 . 1 1 16 16 GLN CG C 13 33.994 . . . . . . . 17 GLN CG . 16215 1 195 . 1 1 16 16 GLN N N 15 115.638 . . . . . . . 17 GLN N . 16215 1 196 . 1 1 16 16 GLN NE2 N 15 110.810 . . . . . . . 17 GLN NE2 . 16215 1 197 . 1 1 17 17 LEU H H 1 7.291 . . . . . . . 18 LEU HN . 16215 1 198 . 1 1 17 17 LEU HA H 1 4.515 . . . . . . . 18 LEU HA . 16215 1 199 . 1 1 17 17 LEU HB2 H 1 1.931 . . . . . . . 18 LEU HB1 . 16215 1 200 . 1 1 17 17 LEU HB3 H 1 1.578 . . . . . . . 18 LEU HB2 . 16215 1 201 . 1 1 17 17 LEU HD11 H 1 0.882 . . . . . . . 18 LEU HD1# . 16215 1 202 . 1 1 17 17 LEU HD12 H 1 0.882 . . . . . . . 18 LEU HD1# . 16215 1 203 . 1 1 17 17 LEU HD13 H 1 0.882 . . . . . . . 18 LEU HD1# . 16215 1 204 . 1 1 17 17 LEU HD21 H 1 0.931 . . . . . . . 18 LEU HD2# . 16215 1 205 . 1 1 17 17 LEU HD22 H 1 0.931 . . . . . . . 18 LEU HD2# . 16215 1 206 . 1 1 17 17 LEU HD23 H 1 0.931 . . . . . . . 18 LEU HD2# . 16215 1 207 . 1 1 17 17 LEU HG H 1 1.680 . . . . . . . 18 LEU HG . 16215 1 208 . 1 1 17 17 LEU C C 13 176.522 . . . . . . . 18 LEU C . 16215 1 209 . 1 1 17 17 LEU CA C 13 53.388 . . . . . . . 18 LEU CA . 16215 1 210 . 1 1 17 17 LEU CB C 13 42.380 . . . . . . . 18 LEU CB . 16215 1 211 . 1 1 17 17 LEU CD1 C 13 23.140 . . . . . . . 18 LEU CD1 . 16215 1 212 . 1 1 17 17 LEU CD2 C 13 25.354 . . . . . . . 18 LEU CD2 . 16215 1 213 . 1 1 17 17 LEU CG C 13 26.642 . . . . . . . 18 LEU CG . 16215 1 214 . 1 1 17 17 LEU N N 15 121.290 . . . . . . . 18 LEU N . 16215 1 215 . 1 1 18 18 ALA H H 1 8.530 . . . . . . . 19 ALA HN . 16215 1 216 . 1 1 18 18 ALA HA H 1 4.127 . . . . . . . 19 ALA HA . 16215 1 217 . 1 1 18 18 ALA HB1 H 1 1.382 . . . . . . . 19 ALA HB# . 16215 1 218 . 1 1 18 18 ALA HB2 H 1 1.382 . . . . . . . 19 ALA HB# . 16215 1 219 . 1 1 18 18 ALA HB3 H 1 1.382 . . . . . . . 19 ALA HB# . 16215 1 220 . 1 1 18 18 ALA C C 13 179.058 . . . . . . . 19 ALA C . 16215 1 221 . 1 1 18 18 ALA CA C 13 54.024 . . . . . . . 19 ALA CA . 16215 1 222 . 1 1 18 18 ALA CB C 13 18.182 . . . . . . . 19 ALA CB . 16215 1 223 . 1 1 18 18 ALA N N 15 127.857 . . . . . . . 19 ALA N . 16215 1 224 . 1 1 19 19 ASN H H 1 9.036 . . . . . . . 20 ASN HN . 16215 1 225 . 1 1 19 19 ASN HA H 1 4.601 . . . . . . . 20 ASN HA . 16215 1 226 . 1 1 19 19 ASN HB2 H 1 2.961 . . . . . . . 20 ASN HB1 . 16215 1 227 . 1 1 19 19 ASN HB3 H 1 2.817 . . . . . . . 20 ASN HB2 . 16215 1 228 . 1 1 19 19 ASN HD21 H 1 7.016 . . . . . . . 20 ASN HD21 . 16215 1 229 . 1 1 19 19 ASN HD22 H 1 7.575 . . . . . . . 20 ASN HD22 . 16215 1 230 . 1 1 19 19 ASN C C 13 175.237 . . . . . . . 20 ASN C . 16215 1 231 . 1 1 19 19 ASN CA C 13 55.547 . . . . . . . 20 ASN CA . 16215 1 232 . 1 1 19 19 ASN CB C 13 39.228 . . . . . . . 20 ASN CB . 16215 1 233 . 1 1 19 19 ASN N N 15 116.191 . . . . . . . 20 ASN N . 16215 1 234 . 1 1 19 19 ASN ND2 N 15 113.919 . . . . . . . 20 ASN ND2 . 16215 1 235 . 1 1 20 20 GLN H H 1 7.660 . . . . . . . 21 GLN HN . 16215 1 236 . 1 1 20 20 GLN HA H 1 3.862 . . . . . . . 21 GLN HA . 16215 1 237 . 1 1 20 20 GLN HB2 H 1 2.427 . . . . . . . 21 GLN HB1 . 16215 1 238 . 1 1 20 20 GLN HB3 H 1 2.044 . . . . . . . 21 GLN HB2 . 16215 1 239 . 1 1 20 20 GLN HE21 H 1 6.715 . . . . . . . 21 GLN HE21 . 16215 1 240 . 1 1 20 20 GLN HE22 H 1 7.974 . . . . . . . 21 GLN HE22 . 16215 1 241 . 1 1 20 20 GLN HG2 H 1 2.648 . . . . . . . 21 GLN HG1 . 16215 1 242 . 1 1 20 20 GLN HG3 H 1 2.245 . . . . . . . 21 GLN HG2 . 16215 1 243 . 1 1 20 20 GLN C C 13 176.540 . . . . . . . 21 GLN C . 16215 1 244 . 1 1 20 20 GLN CA C 13 59.480 . . . . . . . 21 GLN CA . 16215 1 245 . 1 1 20 20 GLN CB C 13 29.461 . . . . . . . 21 GLN CB . 16215 1 246 . 1 1 20 20 GLN CG C 13 34.026 . . . . . . . 21 GLN CG . 16215 1 247 . 1 1 20 20 GLN N N 15 123.119 . . . . . . . 21 GLN N . 16215 1 248 . 1 1 20 20 GLN NE2 N 15 116.794 . . . . . . . 21 GLN NE2 . 16215 1 249 . 1 1 21 21 CYS H H 1 8.456 . . . . . . . 22 CYS HN . 16215 1 250 . 1 1 21 21 CYS HA H 1 4.303 . . . . . . . 22 CYS HA . 16215 1 251 . 1 1 21 21 CYS HB2 H 1 2.851 . . . . . . . 22 CYS HB1 . 16215 1 252 . 1 1 21 21 CYS HB3 H 1 2.520 . . . . . . . 22 CYS HB2 . 16215 1 253 . 1 1 21 21 CYS C C 13 175.969 . . . . . . . 22 CYS C . 16215 1 254 . 1 1 21 21 CYS CA C 13 58.450 . . . . . . . 22 CYS CA . 16215 1 255 . 1 1 21 21 CYS CB C 13 38.774 . . . . . . . 22 CYS CB . 16215 1 256 . 1 1 21 21 CYS N N 15 119.290 . . . . . . . 22 CYS N . 16215 1 257 . 1 1 22 22 ASN H H 1 7.942 . . . . . . . 23 ASN HN . 16215 1 258 . 1 1 22 22 ASN HA H 1 3.835 . . . . . . . 23 ASN HA . 16215 1 259 . 1 1 22 22 ASN HB2 H 1 3.032 . . . . . . . 23 ASN HB1 . 16215 1 260 . 1 1 22 22 ASN HB3 H 1 2.731 . . . . . . . 23 ASN HB2 . 16215 1 261 . 1 1 22 22 ASN HD21 H 1 6.748 . . . . . . . 23 ASN HD21 . 16215 1 262 . 1 1 22 22 ASN HD22 H 1 7.372 . . . . . . . 23 ASN HD22 . 16215 1 263 . 1 1 22 22 ASN C C 13 175.933 . . . . . . . 23 ASN C . 16215 1 264 . 1 1 22 22 ASN CA C 13 57.711 . . . . . . . 23 ASN CA . 16215 1 265 . 1 1 22 22 ASN CB C 13 39.241 . . . . . . . 23 ASN CB . 16215 1 266 . 1 1 22 22 ASN N N 15 119.011 . . . . . . . 23 ASN N . 16215 1 267 . 1 1 22 22 ASN ND2 N 15 112.289 . . . . . . . 23 ASN ND2 . 16215 1 268 . 1 1 23 23 TYR H H 1 8.095 . . . . . . . 24 TYR HN . 16215 1 269 . 1 1 23 23 TYR HA H 1 3.954 . . . . . . . 24 TYR HA . 16215 1 270 . 1 1 23 23 TYR HB2 H 1 3.198 . . . . . . . 24 TYR HB1 . 16215 1 271 . 1 1 23 23 TYR HB3 H 1 3.126 . . . . . . . 24 TYR HB2 . 16215 1 272 . 1 1 23 23 TYR HD1 H 1 7.193 . . . . . . . 24 TYR HD1 . 16215 1 273 . 1 1 23 23 TYR HE1 H 1 6.851 . . . . . . . 24 TYR HE1 . 16215 1 274 . 1 1 23 23 TYR C C 13 178.0 . . . . . . . 24 TYR C . 16215 1 275 . 1 1 23 23 TYR CA C 13 61.550 . . . . . . . 24 TYR CA . 16215 1 276 . 1 1 23 23 TYR CB C 13 38.378 . . . . . . . 24 TYR CB . 16215 1 277 . 1 1 23 23 TYR CD1 C 13 133.384 . . . . . . . 24 TYR CD1 . 16215 1 278 . 1 1 23 23 TYR CE1 C 13 118.453 . . . . . . . 24 TYR CE1 . 16215 1 279 . 1 1 23 23 TYR N N 15 118.178 . . . . . . . 24 TYR N . 16215 1 280 . 1 1 24 24 ASP H H 1 9.057 . . . . . . . 25 ASP HN . 16215 1 281 . 1 1 24 24 ASP HA H 1 4.650 . . . . . . . 25 ASP HA . 16215 1 282 . 1 1 24 24 ASP HB2 H 1 3.160 . . . . . . . 25 ASP HB1 . 16215 1 283 . 1 1 24 24 ASP HB3 H 1 2.823 . . . . . . . 25 ASP HB2 . 16215 1 284 . 1 1 24 24 ASP C C 13 179.987 . . . . . . . 25 ASP C . 16215 1 285 . 1 1 24 24 ASP CA C 13 57.943 . . . . . . . 25 ASP CA . 16215 1 286 . 1 1 24 24 ASP CB C 13 40.520 . . . . . . . 25 ASP CB . 16215 1 287 . 1 1 24 24 ASP N N 15 120.031 . . . . . . . 25 ASP N . 16215 1 288 . 1 1 25 25 CYS H H 1 9.282 . . . . . . . 26 CYS HN . 16215 1 289 . 1 1 25 25 CYS HA H 1 4.128 . . . . . . . 26 CYS HA . 16215 1 290 . 1 1 25 25 CYS HB2 H 1 2.889 . . . . . . . 26 CYS HB1 . 16215 1 291 . 1 1 25 25 CYS HB3 H 1 2.298 . . . . . . . 26 CYS HB2 . 16215 1 292 . 1 1 25 25 CYS C C 13 177.844 . . . . . . . 26 CYS C . 16215 1 293 . 1 1 25 25 CYS CA C 13 60.587 . . . . . . . 26 CYS CA . 16215 1 294 . 1 1 25 25 CYS CB C 13 36.855 . . . . . . . 26 CYS CB . 16215 1 295 . 1 1 25 25 CYS N N 15 120.278 . . . . . . . 26 CYS N . 16215 1 296 . 1 1 26 26 LYS H H 1 7.655 . . . . . . . 27 LYS HN . 16215 1 297 . 1 1 26 26 LYS HA H 1 4.080 . . . . . . . 27 LYS HA . 16215 1 298 . 1 1 26 26 LYS HB2 H 1 1.703 . . . . . . . 27 LYS HB# . 16215 1 299 . 1 1 26 26 LYS HB3 H 1 1.703 . . . . . . . 27 LYS HB# . 16215 1 300 . 1 1 26 26 LYS HD2 H 1 1.637 . . . . . . . 27 LYS HD1 . 16215 1 301 . 1 1 26 26 LYS HD3 H 1 1.533 . . . . . . . 27 LYS HD2 . 16215 1 302 . 1 1 26 26 LYS HE2 H 1 2.972 . . . . . . . 27 LYS HE# . 16215 1 303 . 1 1 26 26 LYS HE3 H 1 2.972 . . . . . . . 27 LYS HE# . 16215 1 304 . 1 1 26 26 LYS HG2 H 1 1.431 . . . . . . . 27 LYS HG1 . 16215 1 305 . 1 1 26 26 LYS HG3 H 1 1.127 . . . . . . . 27 LYS HG2 . 16215 1 306 . 1 1 26 26 LYS C C 13 178.951 . . . . . . . 27 LYS C . 16215 1 307 . 1 1 26 26 LYS CA C 13 59.282 . . . . . . . 27 LYS CA . 16215 1 308 . 1 1 26 26 LYS CB C 13 32.501 . . . . . . . 27 LYS CB . 16215 1 309 . 1 1 26 26 LYS CD C 13 29.787 . . . . . . . 27 LYS CD . 16215 1 310 . 1 1 26 26 LYS CE C 13 41.583 . . . . . . . 27 LYS CE . 16215 1 311 . 1 1 26 26 LYS CG C 13 24.306 . . . . . . . 27 LYS CG . 16215 1 312 . 1 1 26 26 LYS N N 15 120.127 . . . . . . . 27 LYS N . 16215 1 313 . 1 1 27 27 LEU H H 1 8.262 . . . . . . . 28 LEU HN . 16215 1 314 . 1 1 27 27 LEU HA H 1 4.065 . . . . . . . 28 LEU HA . 16215 1 315 . 1 1 27 27 LEU HB2 H 1 1.641 . . . . . . . 28 LEU HB1 . 16215 1 316 . 1 1 27 27 LEU HB3 H 1 1.511 . . . . . . . 28 LEU HB2 . 16215 1 317 . 1 1 27 27 LEU HD11 H 1 0.802 . . . . . . . 28 LEU HD1# . 16215 1 318 . 1 1 27 27 LEU HD12 H 1 0.802 . . . . . . . 28 LEU HD1# . 16215 1 319 . 1 1 27 27 LEU HD13 H 1 0.802 . . . . . . . 28 LEU HD1# . 16215 1 320 . 1 1 27 27 LEU HD21 H 1 0.835 . . . . . . . 28 LEU HD2# . 16215 1 321 . 1 1 27 27 LEU HD22 H 1 0.835 . . . . . . . 28 LEU HD2# . 16215 1 322 . 1 1 27 27 LEU HD23 H 1 0.835 . . . . . . . 28 LEU HD2# . 16215 1 323 . 1 1 27 27 LEU HG H 1 1.601 . . . . . . . 28 LEU HG . 16215 1 324 . 1 1 27 27 LEU C C 13 178.576 . . . . . . . 28 LEU C . 16215 1 325 . 1 1 27 27 LEU CA C 13 57.494 . . . . . . . 28 LEU CA . 16215 1 326 . 1 1 27 27 LEU CB C 13 42.289 . . . . . . . 28 LEU CB . 16215 1 327 . 1 1 27 27 LEU CD1 C 13 23.910 . . . . . . . 28 LEU CD1 . 16215 1 328 . 1 1 27 27 LEU CD2 C 13 24.279 . . . . . . . 28 LEU CD2 . 16215 1 329 . 1 1 27 27 LEU CG C 13 27.117 . . . . . . . 28 LEU CG . 16215 1 330 . 1 1 27 27 LEU N N 15 120.123 . . . . . . . 28 LEU N . 16215 1 331 . 1 1 28 28 ASP H H 1 8.974 . . . . . . . 29 ASP HN . 16215 1 332 . 1 1 28 28 ASP HA H 1 4.510 . . . . . . . 29 ASP HA . 16215 1 333 . 1 1 28 28 ASP HB2 H 1 3.012 . . . . . . . 29 ASP HB1 . 16215 1 334 . 1 1 28 28 ASP HB3 H 1 2.797 . . . . . . . 29 ASP HB2 . 16215 1 335 . 1 1 28 28 ASP C C 13 178.451 . . . . . . . 29 ASP C . 16215 1 336 . 1 1 28 28 ASP CA C 13 56.106 . . . . . . . 29 ASP CA . 16215 1 337 . 1 1 28 28 ASP CB C 13 40.546 . . . . . . . 29 ASP CB . 16215 1 338 . 1 1 28 28 ASP N N 15 117.057 . . . . . . . 29 ASP N . 16215 1 339 . 1 1 29 29 LYS H H 1 6.616 . . . . . . . 30 LYS HN . 16215 1 340 . 1 1 29 29 LYS HA H 1 4.498 . . . . . . . 30 LYS HA . 16215 1 341 . 1 1 29 29 LYS HB2 H 1 2.326 . . . . . . . 30 LYS HB1 . 16215 1 342 . 1 1 29 29 LYS HB3 H 1 2.250 . . . . . . . 30 LYS HB2 . 16215 1 343 . 1 1 29 29 LYS HD2 H 1 1.242 . . . . . . . 30 LYS HD# . 16215 1 344 . 1 1 29 29 LYS HD3 H 1 1.242 . . . . . . . 30 LYS HD# . 16215 1 345 . 1 1 29 29 LYS HE2 H 1 2.174 . . . . . . . 30 LYS HE1 . 16215 1 346 . 1 1 29 29 LYS HE3 H 1 1.543 . . . . . . . 30 LYS HE2 . 16215 1 347 . 1 1 29 29 LYS HG2 H 1 1.196 . . . . . . . 30 LYS HG1 . 16215 1 348 . 1 1 29 29 LYS HG3 H 1 0.861 . . . . . . . 30 LYS HG2 . 16215 1 349 . 1 1 29 29 LYS C C 13 176.862 . . . . . . . 30 LYS C . 16215 1 350 . 1 1 29 29 LYS CA C 13 53.238 . . . . . . . 30 LYS CA . 16215 1 351 . 1 1 29 29 LYS CB C 13 31.763 . . . . . . . 30 LYS CB . 16215 1 352 . 1 1 29 29 LYS CD C 13 27.726 . . . . . . . 30 LYS CD . 16215 1 353 . 1 1 29 29 LYS CE C 13 41.224 . . . . . . . 30 LYS CE . 16215 1 354 . 1 1 29 29 LYS CG C 13 24.530 . . . . . . . 30 LYS CG . 16215 1 355 . 1 1 29 29 LYS N N 15 112.334 . . . . . . . 30 LYS N . 16215 1 356 . 1 1 30 30 HIS H H 1 7.020 . . . . . . . 31 HIS HN . 16215 1 357 . 1 1 30 30 HIS HA H 1 4.567 . . . . . . . 31 HIS HA . 16215 1 358 . 1 1 30 30 HIS HB2 H 1 3.522 . . . . . . . 31 HIS HB# . 16215 1 359 . 1 1 30 30 HIS HB3 H 1 3.522 . . . . . . . 31 HIS HB# . 16215 1 360 . 1 1 30 30 HIS HD2 H 1 7.218 . . . . . . . 31 HIS HD2 . 16215 1 361 . 1 1 30 30 HIS HE1 H 1 8.589 . . . . . . . 31 HIS HE1 . 16215 1 362 . 1 1 30 30 HIS C C 13 174.040 . . . . . . . 31 HIS C . 16215 1 363 . 1 1 30 30 HIS CA C 13 56.330 . . . . . . . 31 HIS CA . 16215 1 364 . 1 1 30 30 HIS CB C 13 25.776 . . . . . . . 31 HIS CB . 16215 1 365 . 1 1 30 30 HIS CD2 C 13 119.982 . . . . . . . 31 HIS CD2 . 16215 1 366 . 1 1 30 30 HIS CE1 C 13 136.419 . . . . . . . 31 HIS CE1 . 16215 1 367 . 1 1 30 30 HIS N N 15 113.215 . . . . . . . 31 HIS N . 16215 1 368 . 1 1 31 31 ALA H H 1 7.642 . . . . . . . 32 ALA HN . 16215 1 369 . 1 1 31 31 ALA HA H 1 4.093 . . . . . . . 32 ALA HA . 16215 1 370 . 1 1 31 31 ALA HB1 H 1 0.550 . . . . . . . 32 ALA HB# . 16215 1 371 . 1 1 31 31 ALA HB2 H 1 0.550 . . . . . . . 32 ALA HB# . 16215 1 372 . 1 1 31 31 ALA HB3 H 1 0.550 . . . . . . . 32 ALA HB# . 16215 1 373 . 1 1 31 31 ALA C C 13 175.540 . . . . . . . 32 ALA C . 16215 1 374 . 1 1 31 31 ALA CA C 13 50.622 . . . . . . . 32 ALA CA . 16215 1 375 . 1 1 31 31 ALA CB C 13 19.182 . . . . . . . 32 ALA CB . 16215 1 376 . 1 1 31 31 ALA N N 15 120.342 . . . . . . . 32 ALA N . 16215 1 377 . 1 1 32 32 ARG H H 1 8.245 . . . . . . . 33 ARG HN . 16215 1 378 . 1 1 32 32 ARG HA H 1 4.150 . . . . . . . 33 ARG HA . 16215 1 379 . 1 1 32 32 ARG HB2 H 1 1.512 . . . . . . . 33 ARG HB1 . 16215 1 380 . 1 1 32 32 ARG HB3 H 1 1.397 . . . . . . . 33 ARG HB2 . 16215 1 381 . 1 1 32 32 ARG HD2 H 1 2.644 . . . . . . . 33 ARG HD1 . 16215 1 382 . 1 1 32 32 ARG HD3 H 1 2.479 . . . . . . . 33 ARG HD2 . 16215 1 383 . 1 1 32 32 ARG HE H 1 6.953 . . . . . . . 33 ARG HE . 16215 1 384 . 1 1 32 32 ARG HG2 H 1 1.450 . . . . . . . 33 ARG HG1 . 16215 1 385 . 1 1 32 32 ARG HG3 H 1 1.326 . . . . . . . 33 ARG HG2 . 16215 1 386 . 1 1 32 32 ARG C C 13 176.737 . . . . . . . 33 ARG C . 16215 1 387 . 1 1 32 32 ARG CA C 13 57.842 . . . . . . . 33 ARG CA . 16215 1 388 . 1 1 32 32 ARG CB C 13 30.644 . . . . . . . 33 ARG CB . 16215 1 389 . 1 1 32 32 ARG CD C 13 43.060 . . . . . . . 33 ARG CD . 16215 1 390 . 1 1 32 32 ARG CG C 13 27.716 . . . . . . . 33 ARG CG . 16215 1 391 . 1 1 32 32 ARG N N 15 116.864 . . . . . . . 33 ARG N . 16215 1 392 . 1 1 32 32 ARG NE N 15 116.754 . . . . . . . 33 ARG NE . 16215 1 393 . 1 1 33 33 SER H H 1 7.993 . . . . . . . 34 SER HN . 16215 1 394 . 1 1 33 33 SER HA H 1 4.614 . . . . . . . 34 SER HA . 16215 1 395 . 1 1 33 33 SER HB2 H 1 4.126 . . . . . . . 34 SER HB1 . 16215 1 396 . 1 1 33 33 SER HB3 H 1 3.975 . . . . . . . 34 SER HB2 . 16215 1 397 . 1 1 33 33 SER CA C 13 57.943 . . . . . . . 34 SER CA . 16215 1 398 . 1 1 33 33 SER CB C 13 65.202 . . . . . . . 34 SER CB . 16215 1 399 . 1 1 33 33 SER N N 15 109.427 . . . . . . . 34 SER N . 16215 1 400 . 1 1 34 34 GLY H H 1 8.600 . . . . . . . 35 GLY HN . 16215 1 401 . 1 1 34 34 GLY HA2 H 1 4.034 . . . . . . . 35 GLY HA1 . 16215 1 402 . 1 1 34 34 GLY HA3 H 1 4.822 . . . . . . . 35 GLY HA2 . 16215 1 403 . 1 1 34 34 GLY C C 13 171.005 . . . . . . . 35 GLY C . 16215 1 404 . 1 1 34 34 GLY CA C 13 46.999 . . . . . . . 35 GLY CA . 16215 1 405 . 1 1 34 34 GLY N N 15 107.678 . . . . . . . 35 GLY N . 16215 1 406 . 1 1 35 35 GLU H H 1 8.265 . . . . . . . 36 GLU HN . 16215 1 407 . 1 1 35 35 GLU HA H 1 4.268 . . . . . . . 36 GLU HA . 16215 1 408 . 1 1 35 35 GLU HB2 H 1 2.019 . . . . . . . 36 GLU HB1 . 16215 1 409 . 1 1 35 35 GLU HB3 H 1 1.833 . . . . . . . 36 GLU HB2 . 16215 1 410 . 1 1 35 35 GLU HG2 H 1 2.024 . . . . . . . 36 GLU HG# . 16215 1 411 . 1 1 35 35 GLU HG3 H 1 2.024 . . . . . . . 36 GLU HG# . 16215 1 412 . 1 1 35 35 GLU C C 13 174.344 . . . . . . . 36 GLU C . 16215 1 413 . 1 1 35 35 GLU CA C 13 55.486 . . . . . . . 36 GLU CA . 16215 1 414 . 1 1 35 35 GLU CB C 13 32.755 . . . . . . . 36 GLU CB . 16215 1 415 . 1 1 35 35 GLU CG C 13 35.016 . . . . . . . 36 GLU CG . 16215 1 416 . 1 1 35 35 GLU N N 15 118.950 . . . . . . . 36 GLU N . 16215 1 417 . 1 1 36 36 CYS H H 1 8.769 . . . . . . . 37 CYS HN . 16215 1 418 . 1 1 36 36 CYS HA H 1 6.123 . . . . . . . 37 CYS HA . 16215 1 419 . 1 1 36 36 CYS HB2 H 1 3.676 . . . . . . . 37 CYS HB1 . 16215 1 420 . 1 1 36 36 CYS HB3 H 1 2.517 . . . . . . . 37 CYS HB2 . 16215 1 421 . 1 1 36 36 CYS C C 13 173.790 . . . . . . . 37 CYS C . 16215 1 422 . 1 1 36 36 CYS CA C 13 56.460 . . . . . . . 37 CYS CA . 16215 1 423 . 1 1 36 36 CYS CB C 13 46.021 . . . . . . . 37 CYS CB . 16215 1 424 . 1 1 36 36 CYS N N 15 120.587 . . . . . . . 37 CYS N . 16215 1 425 . 1 1 37 37 PHE H H 1 9.015 . . . . . . . 38 PHE HN . 16215 1 426 . 1 1 37 37 PHE HA H 1 4.711 . . . . . . . 38 PHE HA . 16215 1 427 . 1 1 37 37 PHE HB2 H 1 3.135 . . . . . . . 38 PHE HB1 . 16215 1 428 . 1 1 37 37 PHE HB3 H 1 2.731 . . . . . . . 38 PHE HB2 . 16215 1 429 . 1 1 37 37 PHE HD1 H 1 7.245 . . . . . . . 38 PHE HD1 . 16215 1 430 . 1 1 37 37 PHE HE1 H 1 7.327 . . . . . . . 38 PHE HE1 . 16215 1 431 . 1 1 37 37 PHE HZ H 1 7.212 . . . . . . . 38 PHE HZ . 16215 1 432 . 1 1 37 37 PHE C C 13 175.183 . . . . . . . 38 PHE C . 16215 1 433 . 1 1 37 37 PHE CA C 13 56.650 . . . . . . . 38 PHE CA . 16215 1 434 . 1 1 37 37 PHE CB C 13 43.538 . . . . . . . 38 PHE CB . 16215 1 435 . 1 1 37 37 PHE CD1 C 13 132.558 . . . . . . . 38 PHE CD1 . 16215 1 436 . 1 1 37 37 PHE CE1 C 13 131.584 . . . . . . . 38 PHE CE1 . 16215 1 437 . 1 1 37 37 PHE CZ C 13 129.763 . . . . . . . 38 PHE CZ . 16215 1 438 . 1 1 37 37 PHE N N 15 121.213 . . . . . . . 38 PHE N . 16215 1 439 . 1 1 38 38 TYR H H 1 8.613 . . . . . . . 39 TYR HN . 16215 1 440 . 1 1 38 38 TYR HA H 1 4.902 . . . . . . . 39 TYR HA . 16215 1 441 . 1 1 38 38 TYR HB2 H 1 2.853 . . . . . . . 39 TYR HB# . 16215 1 442 . 1 1 38 38 TYR HB3 H 1 2.853 . . . . . . . 39 TYR HB# . 16215 1 443 . 1 1 38 38 TYR HD1 H 1 6.893 . . . . . . . 39 TYR HD1 . 16215 1 444 . 1 1 38 38 TYR HE1 H 1 6.795 . . . . . . . 39 TYR HE1 . 16215 1 445 . 1 1 38 38 TYR C C 13 176.790 . . . . . . . 39 TYR C . 16215 1 446 . 1 1 38 38 TYR CA C 13 58.603 . . . . . . . 39 TYR CA . 16215 1 447 . 1 1 38 38 TYR CB C 13 40.278 . . . . . . . 39 TYR CB . 16215 1 448 . 1 1 38 38 TYR CD1 C 13 133.055 . . . . . . . 39 TYR CD1 . 16215 1 449 . 1 1 38 38 TYR CE1 C 13 118.721 . . . . . . . 39 TYR CE1 . 16215 1 450 . 1 1 38 38 TYR N N 15 121.761 . . . . . . . 39 TYR N . 16215 1 451 . 1 1 39 39 ASP H H 1 8.588 . . . . . . . 40 ASP HN . 16215 1 452 . 1 1 39 39 ASP HA H 1 4.731 . . . . . . . 40 ASP HA . 16215 1 453 . 1 1 39 39 ASP HB2 H 1 3.324 . . . . . . . 40 ASP HB1 . 16215 1 454 . 1 1 39 39 ASP HB3 H 1 2.763 . . . . . . . 40 ASP HB2 . 16215 1 455 . 1 1 39 39 ASP C C 13 178.683 . . . . . . . 40 ASP C . 16215 1 456 . 1 1 39 39 ASP CA C 13 52.303 . . . . . . . 40 ASP CA . 16215 1 457 . 1 1 39 39 ASP CB C 13 41.459 . . . . . . . 40 ASP CB . 16215 1 458 . 1 1 39 39 ASP N N 15 123.359 . . . . . . . 40 ASP N . 16215 1 459 . 1 1 40 40 GLU H H 1 9.025 . . . . . . . 41 GLU HN . 16215 1 460 . 1 1 40 40 GLU HA H 1 4.186 . . . . . . . 41 GLU HA . 16215 1 461 . 1 1 40 40 GLU HB2 H 1 2.137 . . . . . . . 41 GLU HB# . 16215 1 462 . 1 1 40 40 GLU HB3 H 1 2.137 . . . . . . . 41 GLU HB# . 16215 1 463 . 1 1 40 40 GLU HG2 H 1 2.369 . . . . . . . 41 GLU HG# . 16215 1 464 . 1 1 40 40 GLU HG3 H 1 2.369 . . . . . . . 41 GLU HG# . 16215 1 465 . 1 1 40 40 GLU C C 13 177.505 . . . . . . . 41 GLU C . 16215 1 466 . 1 1 40 40 GLU CA C 13 59.022 . . . . . . . 41 GLU CA . 16215 1 467 . 1 1 40 40 GLU CB C 13 28.874 . . . . . . . 41 GLU CB . 16215 1 468 . 1 1 40 40 GLU CG C 13 36.096 . . . . . . . 41 GLU CG . 16215 1 469 . 1 1 40 40 GLU N N 15 118.164 . . . . . . . 41 GLU N . 16215 1 470 . 1 1 41 41 LYS H H 1 8.121 . . . . . . . 42 LYS HN . 16215 1 471 . 1 1 41 41 LYS HA H 1 4.403 . . . . . . . 42 LYS HA . 16215 1 472 . 1 1 41 41 LYS HB2 H 1 2.051 . . . . . . . 42 LYS HB1 . 16215 1 473 . 1 1 41 41 LYS HB3 H 1 1.806 . . . . . . . 42 LYS HB2 . 16215 1 474 . 1 1 41 41 LYS HD2 H 1 1.697 . . . . . . . 42 LYS HD1 . 16215 1 475 . 1 1 41 41 LYS HD3 H 1 1.669 . . . . . . . 42 LYS HD2 . 16215 1 476 . 1 1 41 41 LYS HE2 H 1 3.009 . . . . . . . 42 LYS HE# . 16215 1 477 . 1 1 41 41 LYS HE3 H 1 3.009 . . . . . . . 42 LYS HE# . 16215 1 478 . 1 1 41 41 LYS HG2 H 1 1.448 . . . . . . . 42 LYS HG1 . 16215 1 479 . 1 1 41 41 LYS HG3 H 1 1.375 . . . . . . . 42 LYS HG2 . 16215 1 480 . 1 1 41 41 LYS C C 13 175.505 . . . . . . . 42 LYS C . 16215 1 481 . 1 1 41 41 LYS CA C 13 55.502 . . . . . . . 42 LYS CA . 16215 1 482 . 1 1 41 41 LYS CB C 13 31.998 . . . . . . . 42 LYS CB . 16215 1 483 . 1 1 41 41 LYS CD C 13 28.875 . . . . . . . 42 LYS CD . 16215 1 484 . 1 1 41 41 LYS CE C 13 42.232 . . . . . . . 42 LYS CE . 16215 1 485 . 1 1 41 41 LYS CG C 13 25.354 . . . . . . . 42 LYS CG . 16215 1 486 . 1 1 41 41 LYS N N 15 120.189 . . . . . . . 42 LYS N . 16215 1 487 . 1 1 42 42 ARG H H 1 8.292 . . . . . . . 43 ARG HN . 16215 1 488 . 1 1 42 42 ARG HA H 1 3.620 . . . . . . . 43 ARG HA . 16215 1 489 . 1 1 42 42 ARG HB2 H 1 2.045 . . . . . . . 43 ARG HB# . 16215 1 490 . 1 1 42 42 ARG HB3 H 1 2.045 . . . . . . . 43 ARG HB# . 16215 1 491 . 1 1 42 42 ARG HD2 H 1 3.046 . . . . . . . 43 ARG HD# . 16215 1 492 . 1 1 42 42 ARG HD3 H 1 3.046 . . . . . . . 43 ARG HD# . 16215 1 493 . 1 1 42 42 ARG HE H 1 6.890 . . . . . . . 43 ARG HE . 16215 1 494 . 1 1 42 42 ARG HG2 H 1 1.506 . . . . . . . 43 ARG HG1 . 16215 1 495 . 1 1 42 42 ARG HG3 H 1 1.450 . . . . . . . 43 ARG HG2 . 16215 1 496 . 1 1 42 42 ARG C C 13 175.094 . . . . . . . 43 ARG C . 16215 1 497 . 1 1 42 42 ARG CA C 13 57.501 . . . . . . . 43 ARG CA . 16215 1 498 . 1 1 42 42 ARG CB C 13 26.418 . . . . . . . 43 ARG CB . 16215 1 499 . 1 1 42 42 ARG CD C 13 42.522 . . . . . . . 43 ARG CD . 16215 1 500 . 1 1 42 42 ARG CG C 13 27.215 . . . . . . . 43 ARG CG . 16215 1 501 . 1 1 42 42 ARG N N 15 113.669 . . . . . . . 43 ARG N . 16215 1 502 . 1 1 42 42 ARG NE N 15 115.766 . . . . . . . 43 ARG NE . 16215 1 503 . 1 1 43 43 ASN H H 1 8.711 . . . . . . . 44 ASN HN . 16215 1 504 . 1 1 43 43 ASN HA H 1 4.954 . . . . . . . 44 ASN HA . 16215 1 505 . 1 1 43 43 ASN HB2 H 1 2.953 . . . . . . . 44 ASN HB1 . 16215 1 506 . 1 1 43 43 ASN HB3 H 1 2.670 . . . . . . . 44 ASN HB2 . 16215 1 507 . 1 1 43 43 ASN HD21 H 1 6.941 . . . . . . . 44 ASN HD21 . 16215 1 508 . 1 1 43 43 ASN HD22 H 1 8.154 . . . . . . . 44 ASN HD22 . 16215 1 509 . 1 1 43 43 ASN C C 13 175.023 . . . . . . . 44 ASN C . 16215 1 510 . 1 1 43 43 ASN CA C 13 52.789 . . . . . . . 44 ASN CA . 16215 1 511 . 1 1 43 43 ASN CB C 13 39.260 . . . . . . . 44 ASN CB . 16215 1 512 . 1 1 43 43 ASN N N 15 118.342 . . . . . . . 44 ASN N . 16215 1 513 . 1 1 43 43 ASN ND2 N 15 116.190 . . . . . . . 44 ASN ND2 . 16215 1 514 . 1 1 44 44 LEU H H 1 8.459 . . . . . . . 45 LEU HN . 16215 1 515 . 1 1 44 44 LEU HA H 1 4.195 . . . . . . . 45 LEU HA . 16215 1 516 . 1 1 44 44 LEU HB2 H 1 1.500 . . . . . . . 45 LEU HB1 . 16215 1 517 . 1 1 44 44 LEU HB3 H 1 1.260 . . . . . . . 45 LEU HB2 . 16215 1 518 . 1 1 44 44 LEU HD11 H 1 0.291 . . . . . . . 45 LEU HD1# . 16215 1 519 . 1 1 44 44 LEU HD12 H 1 0.291 . . . . . . . 45 LEU HD1# . 16215 1 520 . 1 1 44 44 LEU HD13 H 1 0.291 . . . . . . . 45 LEU HD1# . 16215 1 521 . 1 1 44 44 LEU HD21 H 1 0.415 . . . . . . . 45 LEU HD2# . 16215 1 522 . 1 1 44 44 LEU HD22 H 1 0.415 . . . . . . . 45 LEU HD2# . 16215 1 523 . 1 1 44 44 LEU HD23 H 1 0.415 . . . . . . . 45 LEU HD2# . 16215 1 524 . 1 1 44 44 LEU HG H 1 1.287 . . . . . . . 45 LEU HG . 16215 1 525 . 1 1 44 44 LEU C C 13 175.701 . . . . . . . 45 LEU C . 16215 1 526 . 1 1 44 44 LEU CA C 13 55.116 . . . . . . . 45 LEU CA . 16215 1 527 . 1 1 44 44 LEU CB C 13 43.239 . . . . . . . 45 LEU CB . 16215 1 528 . 1 1 44 44 LEU CD1 C 13 23.147 . . . . . . . 45 LEU CD1 . 16215 1 529 . 1 1 44 44 LEU CD2 C 13 25.033 . . . . . . . 45 LEU CD2 . 16215 1 530 . 1 1 44 44 LEU CG C 13 26.567 . . . . . . . 45 LEU CG . 16215 1 531 . 1 1 44 44 LEU N N 15 126.152 . . . . . . . 45 LEU N . 16215 1 532 . 1 1 45 45 GLN H H 1 8.451 . . . . . . . 46 GLN HN . 16215 1 533 . 1 1 45 45 GLN HA H 1 4.695 . . . . . . . 46 GLN HA . 16215 1 534 . 1 1 45 45 GLN HB2 H 1 2.053 . . . . . . . 46 GLN HB1 . 16215 1 535 . 1 1 45 45 GLN HB3 H 1 1.875 . . . . . . . 46 GLN HB2 . 16215 1 536 . 1 1 45 45 GLN HE21 H 1 6.686 . . . . . . . 46 GLN HE21 . 16215 1 537 . 1 1 45 45 GLN HE22 H 1 7.402 . . . . . . . 46 GLN HE22 . 16215 1 538 . 1 1 45 45 GLN HG2 H 1 2.313 . . . . . . . 46 GLN HG# . 16215 1 539 . 1 1 45 45 GLN HG3 H 1 2.313 . . . . . . . 46 GLN HG# . 16215 1 540 . 1 1 45 45 GLN C C 13 174.683 . . . . . . . 46 GLN C . 16215 1 541 . 1 1 45 45 GLN CA C 13 53.895 . . . . . . . 46 GLN CA . 16215 1 542 . 1 1 45 45 GLN CB C 13 32.581 . . . . . . . 46 GLN CB . 16215 1 543 . 1 1 45 45 GLN CG C 13 33.159 . . . . . . . 46 GLN CG . 16215 1 544 . 1 1 45 45 GLN N N 15 120.724 . . . . . . . 46 GLN N . 16215 1 545 . 1 1 45 45 GLN NE2 N 15 110.139 . . . . . . . 46 GLN NE2 . 16215 1 546 . 1 1 46 46 CYS H H 1 9.183 . . . . . . . 47 CYS HN . 16215 1 547 . 1 1 46 46 CYS HA H 1 4.814 . . . . . . . 47 CYS HA . 16215 1 548 . 1 1 46 46 CYS HB2 H 1 2.510 . . . . . . . 47 CYS HB1 . 16215 1 549 . 1 1 46 46 CYS HB3 H 1 1.676 . . . . . . . 47 CYS HB2 . 16215 1 550 . 1 1 46 46 CYS C C 13 172.094 . . . . . . . 47 CYS C . 16215 1 551 . 1 1 46 46 CYS CA C 13 55.054 . . . . . . . 47 CYS CA . 16215 1 552 . 1 1 46 46 CYS CB C 13 38.177 . . . . . . . 47 CYS CB . 16215 1 553 . 1 1 46 46 CYS N N 15 122.173 . . . . . . . 47 CYS N . 16215 1 554 . 1 1 47 47 ILE H H 1 8.712 . . . . . . . 48 ILE HN . 16215 1 555 . 1 1 47 47 ILE HA H 1 4.336 . . . . . . . 48 ILE HA . 16215 1 556 . 1 1 47 47 ILE HB H 1 2.138 . . . . . . . 48 ILE HB . 16215 1 557 . 1 1 47 47 ILE HD11 H 1 0.722 . . . . . . . 48 ILE HD1# . 16215 1 558 . 1 1 47 47 ILE HD12 H 1 0.722 . . . . . . . 48 ILE HD1# . 16215 1 559 . 1 1 47 47 ILE HD13 H 1 0.722 . . . . . . . 48 ILE HD1# . 16215 1 560 . 1 1 47 47 ILE HG12 H 1 1.136 . . . . . . . 48 ILE HG11 . 16215 1 561 . 1 1 47 47 ILE HG13 H 1 1.594 . . . . . . . 48 ILE HG12 . 16215 1 562 . 1 1 47 47 ILE HG21 H 1 0.758 . . . . . . . 48 ILE HG2# . 16215 1 563 . 1 1 47 47 ILE HG22 H 1 0.758 . . . . . . . 48 ILE HG2# . 16215 1 564 . 1 1 47 47 ILE HG23 H 1 0.758 . . . . . . . 48 ILE HG2# . 16215 1 565 . 1 1 47 47 ILE C C 13 175.826 . . . . . . . 48 ILE C . 16215 1 566 . 1 1 47 47 ILE CA C 13 60.402 . . . . . . . 48 ILE CA . 16215 1 567 . 1 1 47 47 ILE CB C 13 38.345 . . . . . . . 48 ILE CB . 16215 1 568 . 1 1 47 47 ILE CD1 C 13 12.294 . . . . . . . 48 ILE CD1 . 16215 1 569 . 1 1 47 47 ILE CG1 C 13 27.705 . . . . . . . 48 ILE CG1 . 16215 1 570 . 1 1 47 47 ILE CG2 C 13 18.044 . . . . . . . 48 ILE CG2 . 16215 1 571 . 1 1 47 47 ILE N N 15 129.422 . . . . . . . 48 ILE N . 16215 1 572 . 1 1 48 48 CYS H H 1 8.502 . . . . . . . 49 CYS HN . 16215 1 573 . 1 1 48 48 CYS HA H 1 5.288 . . . . . . . 49 CYS HA . 16215 1 574 . 1 1 48 48 CYS HB2 H 1 2.653 . . . . . . . 49 CYS HB1 . 16215 1 575 . 1 1 48 48 CYS HB3 H 1 2.595 . . . . . . . 49 CYS HB2 . 16215 1 576 . 1 1 48 48 CYS C C 13 172.826 . . . . . . . 49 CYS C . 16215 1 577 . 1 1 48 48 CYS CA C 13 51.668 . . . . . . . 49 CYS CA . 16215 1 578 . 1 1 48 48 CYS CB C 13 35.926 . . . . . . . 49 CYS CB . 16215 1 579 . 1 1 48 48 CYS N N 15 126.245 . . . . . . . 49 CYS N . 16215 1 580 . 1 1 49 49 ASP H H 1 8.813 . . . . . . . 50 ASP HN . 16215 1 581 . 1 1 49 49 ASP HA H 1 5.472 . . . . . . . 50 ASP HA . 16215 1 582 . 1 1 49 49 ASP HB2 H 1 3.070 . . . . . . . 50 ASP HB1 . 16215 1 583 . 1 1 49 49 ASP HB3 H 1 2.304 . . . . . . . 50 ASP HB2 . 16215 1 584 . 1 1 49 49 ASP C C 13 176.290 . . . . . . . 50 ASP C . 16215 1 585 . 1 1 49 49 ASP CA C 13 52.489 . . . . . . . 50 ASP CA . 16215 1 586 . 1 1 49 49 ASP CB C 13 43.074 . . . . . . . 50 ASP CB . 16215 1 587 . 1 1 49 49 ASP N N 15 122.648 . . . . . . . 50 ASP N . 16215 1 588 . 1 1 50 50 TYR H H 1 9.651 . . . . . . . 51 TYR HN . 16215 1 589 . 1 1 50 50 TYR HA H 1 4.229 . . . . . . . 51 TYR HA . 16215 1 590 . 1 1 50 50 TYR HB2 H 1 3.453 . . . . . . . 51 TYR HB1 . 16215 1 591 . 1 1 50 50 TYR HB3 H 1 2.896 . . . . . . . 51 TYR HB2 . 16215 1 592 . 1 1 50 50 TYR HD1 H 1 7.326 . . . . . . . 51 TYR HD1 . 16215 1 593 . 1 1 50 50 TYR HE1 H 1 6.721 . . . . . . . 51 TYR HE1 . 16215 1 594 . 1 1 50 50 TYR C C 13 175.737 . . . . . . . 51 TYR C . 16215 1 595 . 1 1 50 50 TYR CA C 13 59.414 . . . . . . . 51 TYR CA . 16215 1 596 . 1 1 50 50 TYR CB C 13 38.721 . . . . . . . 51 TYR CB . 16215 1 597 . 1 1 50 50 TYR CD1 C 13 133.629 . . . . . . . 51 TYR CD1 . 16215 1 598 . 1 1 50 50 TYR CE1 C 13 118.328 . . . . . . . 51 TYR CE1 . 16215 1 599 . 1 1 50 50 TYR N N 15 125.389 . . . . . . . 51 TYR N . 16215 1 600 . 1 1 51 51 CYS H H 1 9.455 . . . . . . . 52 CYS HN . 16215 1 601 . 1 1 51 51 CYS HA H 1 4.438 . . . . . . . 52 CYS HA . 16215 1 602 . 1 1 51 51 CYS HB2 H 1 3.497 . . . . . . . 52 CYS HB1 . 16215 1 603 . 1 1 51 51 CYS HB3 H 1 3.124 . . . . . . . 52 CYS HB2 . 16215 1 604 . 1 1 51 51 CYS C C 13 173.183 . . . . . . . 52 CYS C . 16215 1 605 . 1 1 51 51 CYS CA C 13 55.035 . . . . . . . 52 CYS CA . 16215 1 606 . 1 1 51 51 CYS CB C 13 44.285 . . . . . . . 52 CYS CB . 16215 1 607 . 1 1 51 51 CYS N N 15 120.595 . . . . . . . 52 CYS N . 16215 1 608 . 1 1 52 52 GLU H H 1 8.351 . . . . . . . 53 GLU HN . 16215 1 609 . 1 1 52 52 GLU HA H 1 4.270 . . . . . . . 53 GLU HA . 16215 1 610 . 1 1 52 52 GLU HB2 H 1 1.985 . . . . . . . 53 GLU HB1 . 16215 1 611 . 1 1 52 52 GLU HB3 H 1 1.757 . . . . . . . 53 GLU HB2 . 16215 1 612 . 1 1 52 52 GLU HG2 H 1 2.242 . . . . . . . 53 GLU HG1 . 16215 1 613 . 1 1 52 52 GLU HG3 H 1 2.151 . . . . . . . 53 GLU HG2 . 16215 1 614 . 1 1 52 52 GLU C C 13 174.505 . . . . . . . 53 GLU C . 16215 1 615 . 1 1 52 52 GLU CA C 13 55.683 . . . . . . . 53 GLU CA . 16215 1 616 . 1 1 52 52 GLU CB C 13 31.225 . . . . . . . 53 GLU CB . 16215 1 617 . 1 1 52 52 GLU CG C 13 35.748 . . . . . . . 53 GLU CG . 16215 1 618 . 1 1 52 52 GLU N N 15 121.264 . . . . . . . 53 GLU N . 16215 1 619 . 1 1 53 53 TYR H H 1 7.722 . . . . . . . 54 TYR HN . 16215 1 620 . 1 1 53 53 TYR HA H 1 4.206 . . . . . . . 54 TYR HA . 16215 1 621 . 1 1 53 53 TYR HB2 H 1 3.132 . . . . . . . 54 TYR HB1 . 16215 1 622 . 1 1 53 53 TYR HB3 H 1 2.762 . . . . . . . 54 TYR HB2 . 16215 1 623 . 1 1 53 53 TYR HD1 H 1 7.146 . . . . . . . 54 TYR HD1 . 16215 1 624 . 1 1 53 53 TYR HE1 H 1 6.833 . . . . . . . 54 TYR HE1 . 16215 1 625 . 1 1 53 53 TYR CA C 13 59.467 . . . . . . . 54 TYR CA . 16215 1 626 . 1 1 53 53 TYR CB C 13 39.517 . . . . . . . 54 TYR CB . 16215 1 627 . 1 1 53 53 TYR CD1 C 13 133.529 . . . . . . . 54 TYR CD1 . 16215 1 628 . 1 1 53 53 TYR CE1 C 13 118.170 . . . . . . . 54 TYR CE1 . 16215 1 629 . 1 1 53 53 TYR N N 15 125.569 . . . . . . . 54 TYR N . 16215 1 stop_ save_