################################### # 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 17955 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 17955 1 2 '2D 1H-15N HSQC' . . . 17955 1 4 '3D CBCA(CO)NH' . . . 17955 1 5 '3D HCCH-TOCSY' . . . 17955 1 6 '3D HNCO' . . . 17955 1 7 '3D HNCACB' . . . 17955 1 10 '3D 1H-15N TOCSY' . . . 17955 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 LYS HA H 1 3.910 . . . . . . A 1 LYS HA . 17955 1 2 . 1 1 1 1 LYS HB2 H 1 1.802 . . . . . . A 1 LYS HB2 . 17955 1 3 . 1 1 1 1 LYS HB3 H 1 1.802 . . . . . . A 1 LYS HB3 . 17955 1 4 . 1 1 1 1 LYS HG2 H 1 1.284 . . . . . . A 1 LYS HG2 . 17955 1 5 . 1 1 1 1 LYS HG3 H 1 1.321 . . . . . . A 1 LYS HG3 . 17955 1 6 . 1 1 1 1 LYS HD2 H 1 1.682 . . . . . . A 1 LYS HD2 . 17955 1 7 . 1 1 1 1 LYS HD3 H 1 1.682 . . . . . . A 1 LYS HD3 . 17955 1 8 . 1 1 1 1 LYS HE2 H 1 2.952 . . . . . . A 1 LYS HE2 . 17955 1 9 . 1 1 1 1 LYS HE3 H 1 2.952 . . . . . . A 1 LYS HE3 . 17955 1 10 . 1 1 1 1 LYS C C 13 171.162 . . . . . . A 1 LYS C . 17955 1 11 . 1 1 1 1 LYS CA C 13 55.951 . . . . . . A 1 LYS CA . 17955 1 12 . 1 1 1 1 LYS CB C 13 32.995 . . . . . . A 1 LYS CB . 17955 1 13 . 1 1 1 1 LYS CG C 13 23.691 . . . . . . A 1 LYS CG . 17955 1 14 . 1 1 1 1 LYS CD C 13 28.694 . . . . . . A 1 LYS CD . 17955 1 15 . 1 1 1 1 LYS CE C 13 42.041 . . . . . . A 1 LYS CE . 17955 1 16 . 1 1 2 2 TYR H H 1 8.168 . . . . . . A 2 TYR H . 17955 1 17 . 1 1 2 2 TYR HA H 1 4.601 . . . . . . A 2 TYR HA . 17955 1 18 . 1 1 2 2 TYR HB2 H 1 2.933 . . . . . . A 2 TYR HB2 . 17955 1 19 . 1 1 2 2 TYR HB3 H 1 2.992 . . . . . . A 2 TYR HB3 . 17955 1 20 . 1 1 2 2 TYR C C 13 174.757 . . . . . . A 2 TYR C . 17955 1 21 . 1 1 2 2 TYR CA C 13 58.152 . . . . . . A 2 TYR CA . 17955 1 22 . 1 1 2 2 TYR CB C 13 38.953 . . . . . . A 2 TYR CB . 17955 1 23 . 1 1 2 2 TYR N N 15 121.535 . . . . . . A 2 TYR N . 17955 1 24 . 1 1 3 3 TYR H H 1 7.725 . . . . . . A 3 TYR H . 17955 1 25 . 1 1 3 3 TYR HA H 1 4.510 . . . . . . A 3 TYR HA . 17955 1 26 . 1 1 3 3 TYR HB2 H 1 2.811 . . . . . . A 3 TYR HB2 . 17955 1 27 . 1 1 3 3 TYR HB3 H 1 3.077 . . . . . . A 3 TYR HB3 . 17955 1 28 . 1 1 3 3 TYR C C 13 175.668 . . . . . . A 3 TYR C . 17955 1 29 . 1 1 3 3 TYR CA C 13 58.044 . . . . . . A 3 TYR CA . 17955 1 30 . 1 1 3 3 TYR CB C 13 38.872 . . . . . . A 3 TYR CB . 17955 1 31 . 1 1 3 3 TYR N N 15 122.158 . . . . . . A 3 TYR N . 17955 1 32 . 1 1 4 4 GLY H H 1 6.904 . . . . . . A 4 GLY H . 17955 1 33 . 1 1 4 4 GLY HA2 H 1 3.713 . . . . . . A 4 GLY HA2 . 17955 1 34 . 1 1 4 4 GLY HA3 H 1 3.949 . . . . . . A 4 GLY HA3 . 17955 1 35 . 1 1 4 4 GLY C C 13 173.486 . . . . . . A 4 GLY C . 17955 1 36 . 1 1 4 4 GLY CA C 13 45.507 . . . . . . A 4 GLY CA . 17955 1 37 . 1 1 4 4 GLY N N 15 106.651 . . . . . . A 4 GLY N . 17955 1 38 . 1 1 5 5 ASN H H 1 7.979 . . . . . . A 5 ASN H . 17955 1 39 . 1 1 5 5 ASN HA H 1 4.735 . . . . . . A 5 ASN HA . 17955 1 40 . 1 1 5 5 ASN HB2 H 1 2.860 . . . . . . A 5 ASN HB2 . 17955 1 41 . 1 1 5 5 ASN HB3 H 1 2.860 . . . . . . A 5 ASN HB3 . 17955 1 42 . 1 1 5 5 ASN HD21 H 1 7.197 . . . . . . A 5 ASN HD21 . 17955 1 43 . 1 1 5 5 ASN HD22 H 1 6.403 . . . . . . A 5 ASN HD22 . 17955 1 44 . 1 1 5 5 ASN C C 13 175.955 . . . . . . A 5 ASN C . 17955 1 45 . 1 1 5 5 ASN CA C 13 53.578 . . . . . . A 5 ASN CA . 17955 1 46 . 1 1 5 5 ASN CB C 13 38.360 . . . . . . A 5 ASN CB . 17955 1 47 . 1 1 5 5 ASN CG C 13 176.655 . . . . . . A 5 ASN CG . 17955 1 48 . 1 1 5 5 ASN N N 15 116.578 . . . . . . A 5 ASN N . 17955 1 49 . 1 1 5 5 ASN ND2 N 15 108.237 . . . . . . A 5 ASN ND2 . 17955 1 50 . 1 1 6 6 GLY H H 1 8.215 . . . . . . A 6 GLY H . 17955 1 51 . 1 1 6 6 GLY HA2 H 1 3.910 . . . . . . A 6 GLY HA2 . 17955 1 52 . 1 1 6 6 GLY HA3 H 1 4.030 . . . . . . A 6 GLY HA3 . 17955 1 53 . 1 1 6 6 GLY C C 13 174.941 . . . . . . A 6 GLY C . 17955 1 54 . 1 1 6 6 GLY CA C 13 45.910 . . . . . . A 6 GLY CA . 17955 1 55 . 1 1 6 6 GLY N N 15 107.525 . . . . . . A 6 GLY N . 17955 1 56 . 1 1 7 7 VAL H H 1 7.798 . . . . . . A 7 VAL H . 17955 1 57 . 1 1 7 7 VAL HA H 1 3.903 . . . . . . A 7 VAL HA . 17955 1 58 . 1 1 7 7 VAL HB H 1 2.087 . . . . . . A 7 VAL HB . 17955 1 59 . 1 1 7 7 VAL HG11 H 1 0.943 . . . . . . A 7 VAL HG11 . 17955 1 60 . 1 1 7 7 VAL HG12 H 1 0.943 . . . . . . A 7 VAL HG12 . 17955 1 61 . 1 1 7 7 VAL HG13 H 1 0.943 . . . . . . A 7 VAL HG13 . 17955 1 62 . 1 1 7 7 VAL HG21 H 1 0.887 . . . . . . A 7 VAL HG21 . 17955 1 63 . 1 1 7 7 VAL HG22 H 1 0.887 . . . . . . A 7 VAL HG22 . 17955 1 64 . 1 1 7 7 VAL HG23 H 1 0.887 . . . . . . A 7 VAL HG23 . 17955 1 65 . 1 1 7 7 VAL C C 13 176.642 . . . . . . A 7 VAL C . 17955 1 66 . 1 1 7 7 VAL CA C 13 64.618 . . . . . . A 7 VAL CA . 17955 1 67 . 1 1 7 7 VAL CB C 13 31.977 . . . . . . A 7 VAL CB . 17955 1 68 . 1 1 7 7 VAL CG1 C 13 42.647 . . . . . . A 7 VAL CG1 . 17955 1 69 . 1 1 7 7 VAL CG2 C 13 20.147 . . . . . . A 7 VAL CG2 . 17955 1 70 . 1 1 7 7 VAL N N 15 120.385 . . . . . . A 7 VAL N . 17955 1 71 . 1 1 8 8 HIS H H 1 8.194 . . . . . . A 8 HIS H . 17955 1 72 . 1 1 8 8 HIS HA H 1 4.664 . . . . . . A 8 HIS HA . 17955 1 73 . 1 1 8 8 HIS HB2 H 1 3.259 . . . . . . A 8 HIS HB2 . 17955 1 74 . 1 1 8 8 HIS HB3 H 1 3.358 . . . . . . A 8 HIS HB3 . 17955 1 75 . 1 1 8 8 HIS HE1 H 1 8.346 . . . . . . A 8 HIS HE1 . 17955 1 76 . 1 1 8 8 HIS C C 13 175.134 . . . . . . A 8 HIS C . 17955 1 77 . 1 1 8 8 HIS CA C 13 56.636 . . . . . . A 8 HIS CA . 17955 1 78 . 1 1 8 8 HIS CB C 13 28.514 . . . . . . A 8 HIS CB . 17955 1 79 . 1 1 8 8 HIS CE1 C 13 135.258 . . . . . . A 8 HIS CE1 . 17955 1 80 . 1 1 8 8 HIS N N 15 118.140 . . . . . . A 8 HIS N . 17955 1 81 . 1 1 9 9 SER H H 1 8.240 . . . . . . A 9 SER H . 17955 1 82 . 1 1 9 9 SER HA H 1 4.498 . . . . . . A 9 SER HA . 17955 1 83 . 1 1 9 9 SER HB2 H 1 3.944 . . . . . . A 9 SER HB2 . 17955 1 84 . 1 1 9 9 SER HB3 H 1 4.049 . . . . . . A 9 SER HB3 . 17955 1 85 . 1 1 9 9 SER C C 13 175.246 . . . . . . A 9 SER C . 17955 1 86 . 1 1 9 9 SER CA C 13 59.526 . . . . . . A 9 SER CA . 17955 1 87 . 1 1 9 9 SER CB C 13 63.756 . . . . . . A 9 SER CB . 17955 1 88 . 1 1 9 9 SER N N 15 114.728 . . . . . . A 9 SER N . 17955 1 89 . 1 1 10 10 THR H H 1 8.063 . . . . . . A 10 THR H . 17955 1 90 . 1 1 10 10 THR HA H 1 4.329 . . . . . . A 10 THR HA . 17955 1 91 . 1 1 10 10 THR HB H 1 4.367 . . . . . . A 10 THR HB . 17955 1 92 . 1 1 10 10 THR HG21 H 1 1.298 . . . . . . A 10 THR HG21 . 17955 1 93 . 1 1 10 10 THR HG22 H 1 1.298 . . . . . . A 10 THR HG22 . 17955 1 94 . 1 1 10 10 THR HG23 H 1 1.298 . . . . . . A 10 THR HG23 . 17955 1 95 . 1 1 10 10 THR C C 13 175.749 . . . . . . A 10 THR C . 17955 1 96 . 1 1 10 10 THR CA C 13 63.491 . . . . . . A 10 THR CA . 17955 1 97 . 1 1 10 10 THR CB C 13 69.651 . . . . . . A 10 THR CB . 17955 1 98 . 1 1 10 10 THR CG2 C 13 20.409 . . . . . . A 10 THR CG2 . 17955 1 99 . 1 1 10 10 THR N N 15 114.697 . . . . . . A 10 THR N . 17955 1 100 . 1 1 11 11 LYS H H 1 8.190 . . . . . . A 11 LYS H . 17955 1 101 . 1 1 11 11 LYS HA H 1 4.276 . . . . . . A 11 LYS HA . 17955 1 102 . 1 1 11 11 LYS HB2 H 1 1.856 . . . . . . A 11 LYS HB2 . 17955 1 103 . 1 1 11 11 LYS HB3 H 1 1.923 . . . . . . A 11 LYS HB3 . 17955 1 104 . 1 1 11 11 LYS HG2 H 1 1.466 . . . . . . A 11 LYS HG2 . 17955 1 105 . 1 1 11 11 LYS HG3 H 1 1.517 . . . . . . A 11 LYS HG3 . 17955 1 106 . 1 1 11 11 LYS HD2 H 1 1.690 . . . . . . A 11 LYS HD2 . 17955 1 107 . 1 1 11 11 LYS HD3 H 1 1.690 . . . . . . A 11 LYS HD3 . 17955 1 108 . 1 1 11 11 LYS HE2 H 1 2.961 . . . . . . A 11 LYS HE2 . 17955 1 109 . 1 1 11 11 LYS HE3 H 1 2.961 . . . . . . A 11 LYS HE3 . 17955 1 110 . 1 1 11 11 LYS C C 13 177.515 . . . . . . A 11 LYS C . 17955 1 111 . 1 1 11 11 LYS CA C 13 57.803 . . . . . . A 11 LYS CA . 17955 1 112 . 1 1 11 11 LYS CB C 13 32.240 . . . . . . A 11 LYS CB . 17955 1 113 . 1 1 11 11 LYS CG C 13 24.624 . . . . . . A 11 LYS CG . 17955 1 114 . 1 1 11 11 LYS CD C 13 28.645 . . . . . . A 11 LYS CD . 17955 1 115 . 1 1 11 11 LYS CE C 13 42.256 . . . . . . A 11 LYS CE . 17955 1 116 . 1 1 11 11 LYS N N 15 121.372 . . . . . . A 11 LYS N . 17955 1 117 . 1 1 12 12 SER H H 1 8.031 . . . . . . A 12 SER H . 17955 1 118 . 1 1 12 12 SER HA H 1 4.345 . . . . . . A 12 SER HA . 17955 1 119 . 1 1 12 12 SER HB2 H 1 3.906 . . . . . . A 12 SER HB2 . 17955 1 120 . 1 1 12 12 SER HB3 H 1 3.993 . . . . . . A 12 SER HB3 . 17955 1 121 . 1 1 12 12 SER C C 13 175.615 . . . . . . A 12 SER C . 17955 1 122 . 1 1 12 12 SER CA C 13 59.910 . . . . . . A 12 SER CA . 17955 1 123 . 1 1 12 12 SER CB C 13 63.393 . . . . . . A 12 SER CB . 17955 1 124 . 1 1 12 12 SER N N 15 114.402 . . . . . . A 12 SER N . 17955 1 125 . 1 1 13 13 GLY H H 1 8.208 . . . . . . A 13 GLY H . 17955 1 126 . 1 1 13 13 GLY HA2 H 1 3.959 . . . . . . A 13 GLY HA2 . 17955 1 127 . 1 1 13 13 GLY HA3 H 1 3.959 . . . . . . A 13 GLY HA3 . 17955 1 128 . 1 1 13 13 GLY C C 13 174.852 . . . . . . A 13 GLY C . 17955 1 129 . 1 1 13 13 GLY CA C 13 46.158 . . . . . . A 13 GLY CA . 17955 1 130 . 1 1 13 13 GLY N N 15 109.228 . . . . . . A 13 GLY N . 17955 1 131 . 1 1 14 14 SER H H 1 8.026 . . . . . . A 14 SER H . 17955 1 132 . 1 1 14 14 SER HA H 1 4.453 . . . . . . A 14 SER HA . 17955 1 133 . 1 1 14 14 SER HB2 H 1 3.959 . . . . . . A 14 SER HB2 . 17955 1 134 . 1 1 14 14 SER HB3 H 1 4.044 . . . . . . A 14 SER HB3 . 17955 1 135 . 1 1 14 14 SER C C 13 175.138 . . . . . . A 14 SER C . 17955 1 136 . 1 1 14 14 SER CA C 13 59.818 . . . . . . A 14 SER CA . 17955 1 137 . 1 1 14 14 SER CB C 13 63.627 . . . . . . A 14 SER CB . 17955 1 138 . 1 1 14 14 SER N N 15 114.471 . . . . . . A 14 SER N . 17955 1 139 . 1 1 15 15 SER H H 1 7.929 . . . . . . A 15 SER H . 17955 1 140 . 1 1 15 15 SER HA H 1 4.399 . . . . . . A 15 SER HA . 17955 1 141 . 1 1 15 15 SER HB2 H 1 3.954 . . . . . . A 15 SER HB2 . 17955 1 142 . 1 1 15 15 SER HB3 H 1 4.059 . . . . . . A 15 SER HB3 . 17955 1 143 . 1 1 15 15 SER C C 13 175.227 . . . . . . A 15 SER C . 17955 1 144 . 1 1 15 15 SER CA C 13 60.140 . . . . . . A 15 SER CA . 17955 1 145 . 1 1 15 15 SER CB C 13 63.421 . . . . . . A 15 SER CB . 17955 1 146 . 1 1 15 15 SER N N 15 116.552 . . . . . . A 15 SER N . 17955 1 147 . 1 1 16 16 VAL H H 1 7.714 . . . . . . A 16 VAL H . 17955 1 148 . 1 1 16 16 VAL HA H 1 3.974 . . . . . . A 16 VAL HA . 17955 1 149 . 1 1 16 16 VAL HB H 1 2.036 . . . . . . A 16 VAL HB . 17955 1 150 . 1 1 16 16 VAL HG11 H 1 0.995 . . . . . . A 16 VAL HG11 . 17955 1 151 . 1 1 16 16 VAL HG12 H 1 0.995 . . . . . . A 16 VAL HG12 . 17955 1 152 . 1 1 16 16 VAL HG13 H 1 0.995 . . . . . . A 16 VAL HG13 . 17955 1 153 . 1 1 16 16 VAL HG21 H 1 0.836 . . . . . . A 16 VAL HG21 . 17955 1 154 . 1 1 16 16 VAL HG22 H 1 0.836 . . . . . . A 16 VAL HG22 . 17955 1 155 . 1 1 16 16 VAL HG23 H 1 0.836 . . . . . . A 16 VAL HG23 . 17955 1 156 . 1 1 16 16 VAL C C 13 176.534 . . . . . . A 16 VAL C . 17955 1 157 . 1 1 16 16 VAL CA C 13 64.399 . . . . . . A 16 VAL CA . 17955 1 158 . 1 1 16 16 VAL CB C 13 32.340 . . . . . . A 16 VAL CB . 17955 1 159 . 1 1 16 16 VAL CG1 C 13 20.698 . . . . . . A 16 VAL CG1 . 17955 1 160 . 1 1 16 16 VAL CG2 C 13 20.056 . . . . . . A 16 VAL CG2 . 17955 1 161 . 1 1 16 16 VAL N N 15 121.139 . . . . . . A 16 VAL N . 17955 1 162 . 1 1 17 17 ASN H H 1 7.911 . . . . . . A 17 ASN H . 17955 1 163 . 1 1 17 17 ASN HA H 1 4.671 . . . . . . A 17 ASN HA . 17955 1 164 . 1 1 17 17 ASN HB2 H 1 2.847 . . . . . . A 17 ASN HB2 . 17955 1 165 . 1 1 17 17 ASN HB3 H 1 2.895 . . . . . . A 17 ASN HB3 . 17955 1 166 . 1 1 17 17 ASN HD21 H 1 7.211 . . . . . . A 17 ASN HD21 . 17955 1 167 . 1 1 17 17 ASN HD22 H 1 6.348 . . . . . . A 17 ASN HD22 . 17955 1 168 . 1 1 17 17 ASN C C 13 176.441 . . . . . . A 17 ASN C . 17955 1 169 . 1 1 17 17 ASN CA C 13 54.677 . . . . . . A 17 ASN CA . 17955 1 170 . 1 1 17 17 ASN CB C 13 38.391 . . . . . . A 17 ASN CB . 17955 1 171 . 1 1 17 17 ASN CG C 13 176.416 . . . . . . A 17 ASN CG . 17955 1 172 . 1 1 17 17 ASN N N 15 118.859 . . . . . . A 17 ASN N . 17955 1 173 . 1 1 17 17 ASN ND2 N 15 108.194 . . . . . . A 17 ASN ND2 . 17955 1 174 . 1 1 18 18 TRP H H 1 8.039 . . . . . . A 18 TRP H . 17955 1 175 . 1 1 18 18 TRP HA H 1 4.433 . . . . . . A 18 TRP HA . 17955 1 176 . 1 1 18 18 TRP HB2 H 1 3.366 . . . . . . A 18 TRP HB2 . 17955 1 177 . 1 1 18 18 TRP HB3 H 1 3.402 . . . . . . A 18 TRP HB3 . 17955 1 178 . 1 1 18 18 TRP HE1 H 1 9.269 . . . . . . A 18 TRP HE1 . 17955 1 179 . 1 1 18 18 TRP HZ2 H 1 7.291 . . . . . . A 18 TRP HZ2 . 17955 1 180 . 1 1 18 18 TRP HZ3 H 1 7.199 . . . . . . A 18 TRP HZ3 . 17955 1 181 . 1 1 18 18 TRP HH2 H 1 7.547 . . . . . . A 18 TRP HH2 . 17955 1 182 . 1 1 18 18 TRP C C 13 177.560 . . . . . . A 18 TRP C . 17955 1 183 . 1 1 18 18 TRP CA C 13 60.377 . . . . . . A 18 TRP CA . 17955 1 184 . 1 1 18 18 TRP CB C 13 29.033 . . . . . . A 18 TRP CB . 17955 1 185 . 1 1 18 18 TRP CZ2 C 13 113.976 . . . . . . A 18 TRP CZ2 . 17955 1 186 . 1 1 18 18 TRP CZ3 C 13 126.245 . . . . . . A 18 TRP CZ3 . 17955 1 187 . 1 1 18 18 TRP CH2 C 13 120.558 . . . . . . A 18 TRP CH2 . 17955 1 188 . 1 1 18 18 TRP N N 15 120.726 . . . . . . A 18 TRP N . 17955 1 189 . 1 1 18 18 TRP NE1 N 15 125.364 . . . . . . A 18 TRP NE1 . 17955 1 190 . 1 1 19 19 GLY H H 1 8.296 . . . . . . A 19 GLY H . 17955 1 191 . 1 1 19 19 GLY HA2 H 1 3.812 . . . . . . A 19 GLY HA2 . 17955 1 192 . 1 1 19 19 GLY HA3 H 1 3.902 . . . . . . A 19 GLY HA3 . 17955 1 193 . 1 1 19 19 GLY C C 13 176.892 . . . . . . A 19 GLY C . 17955 1 194 . 1 1 19 19 GLY CA C 13 47.179 . . . . . . A 19 GLY CA . 17955 1 195 . 1 1 19 19 GLY N N 15 105.364 . . . . . . A 19 GLY N . 17955 1 196 . 1 1 20 20 GLU H H 1 8.197 . . . . . . A 20 GLU H . 17955 1 197 . 1 1 20 20 GLU HA H 1 4.114 . . . . . . A 20 GLU HA . 17955 1 198 . 1 1 20 20 GLU HB2 H 1 2.153 . . . . . . A 20 GLU HB2 . 17955 1 199 . 1 1 20 20 GLU HB3 H 1 2.282 . . . . . . A 20 GLU HB3 . 17955 1 200 . 1 1 20 20 GLU HG2 H 1 2.490 . . . . . . A 20 GLU HG2 . 17955 1 201 . 1 1 20 20 GLU HG3 H 1 2.624 . . . . . . A 20 GLU HG3 . 17955 1 202 . 1 1 20 20 GLU C C 13 177.675 . . . . . . A 20 GLU C . 17955 1 203 . 1 1 20 20 GLU CA C 13 58.951 . . . . . . A 20 GLU CA . 17955 1 204 . 1 1 20 20 GLU CB C 13 27.959 . . . . . . A 20 GLU CB . 17955 1 205 . 1 1 20 20 GLU CG C 13 32.527 . . . . . . A 20 GLU CG . 17955 1 206 . 1 1 20 20 GLU N N 15 121.584 . . . . . . A 20 GLU N . 17955 1 207 . 1 1 21 21 ALA H H 1 8.009 . . . . . . A 21 ALA H . 17955 1 208 . 1 1 21 21 ALA HA H 1 4.083 . . . . . . A 21 ALA HA . 17955 1 209 . 1 1 21 21 ALA HB1 H 1 1.485 . . . . . . A 21 ALA HB1 . 17955 1 210 . 1 1 21 21 ALA HB2 H 1 1.485 . . . . . . A 21 ALA HB2 . 17955 1 211 . 1 1 21 21 ALA HB3 H 1 1.485 . . . . . . A 21 ALA HB3 . 17955 1 212 . 1 1 21 21 ALA C C 13 180.474 . . . . . . A 21 ALA C . 17955 1 213 . 1 1 21 21 ALA CA C 13 55.353 . . . . . . A 21 ALA CA . 17955 1 214 . 1 1 21 21 ALA CB C 13 17.498 . . . . . . A 21 ALA CB . 17955 1 215 . 1 1 21 21 ALA N N 15 122.398 . . . . . . A 21 ALA N . 17955 1 216 . 1 1 22 22 PHE H H 1 8.808 . . . . . . A 22 PHE H . 17955 1 217 . 1 1 22 22 PHE HA H 1 4.181 . . . . . . A 22 PHE HA . 17955 1 218 . 1 1 22 22 PHE HB2 H 1 2.750 . . . . . . A 22 PHE HB2 . 17955 1 219 . 1 1 22 22 PHE HB3 H 1 2.920 . . . . . . A 22 PHE HB3 . 17955 1 220 . 1 1 22 22 PHE HD1 H 1 7.056 . . . . . . A 22 PHE HD1 . 17955 1 221 . 1 1 22 22 PHE HD2 H 1 7.056 . . . . . . A 22 PHE HD2 . 17955 1 222 . 1 1 22 22 PHE HE1 H 1 7.247 . . . . . . A 22 PHE HE1 . 17955 1 223 . 1 1 22 22 PHE HE2 H 1 7.247 . . . . . . A 22 PHE HE2 . 17955 1 224 . 1 1 22 22 PHE HZ H 1 7.142 . . . . . . A 22 PHE HZ . 17955 1 225 . 1 1 22 22 PHE C C 13 177.821 . . . . . . A 22 PHE C . 17955 1 226 . 1 1 22 22 PHE CA C 13 60.999 . . . . . . A 22 PHE CA . 17955 1 227 . 1 1 22 22 PHE CB C 13 39.069 . . . . . . A 22 PHE CB . 17955 1 228 . 1 1 22 22 PHE CD2 C 13 132.889 . . . . . . A 22 PHE CD2 . 17955 1 229 . 1 1 22 22 PHE CE2 C 13 131.086 . . . . . . A 22 PHE CE2 . 17955 1 230 . 1 1 22 22 PHE CZ C 13 131.268 . . . . . . A 22 PHE CZ . 17955 1 231 . 1 1 22 22 PHE N N 15 119.669 . . . . . . A 22 PHE N . 17955 1 232 . 1 1 23 23 SER H H 1 8.215 . . . . . . A 23 SER H . 17955 1 233 . 1 1 23 23 SER HA H 1 4.099 . . . . . . A 23 SER HA . 17955 1 234 . 1 1 23 23 SER HB2 H 1 4.029 . . . . . . A 23 SER HB2 . 17955 1 235 . 1 1 23 23 SER HB3 H 1 4.125 . . . . . . A 23 SER HB3 . 17955 1 236 . 1 1 23 23 SER C C 13 177.249 . . . . . . A 23 SER C . 17955 1 237 . 1 1 23 23 SER CA C 13 61.472 . . . . . . A 23 SER CA . 17955 1 238 . 1 1 23 23 SER CB C 13 62.959 . . . . . . A 23 SER CB . 17955 1 239 . 1 1 23 23 SER N N 15 113.323 . . . . . . A 23 SER N . 17955 1 240 . 1 1 24 24 ALA H H 1 8.438 . . . . . . A 24 ALA H . 17955 1 241 . 1 1 24 24 ALA HA H 1 4.140 . . . . . . A 24 ALA HA . 17955 1 242 . 1 1 24 24 ALA HB1 H 1 1.527 . . . . . . A 24 ALA HB1 . 17955 1 243 . 1 1 24 24 ALA HB2 H 1 1.527 . . . . . . A 24 ALA HB2 . 17955 1 244 . 1 1 24 24 ALA HB3 H 1 1.527 . . . . . . A 24 ALA HB3 . 17955 1 245 . 1 1 24 24 ALA C C 13 180.096 . . . . . . A 24 ALA C . 17955 1 246 . 1 1 24 24 ALA CA C 13 55.575 . . . . . . A 24 ALA CA . 17955 1 247 . 1 1 24 24 ALA CB C 13 17.472 . . . . . . A 24 ALA CB . 17955 1 248 . 1 1 24 24 ALA N N 15 125.729 . . . . . . A 24 ALA N . 17955 1 249 . 1 1 25 25 GLY H H 1 8.045 . . . . . . A 25 GLY H . 17955 1 250 . 1 1 25 25 GLY HA2 H 1 3.771 . . . . . . A 25 GLY HA2 . 17955 1 251 . 1 1 25 25 GLY HA3 H 1 3.883 . . . . . . A 25 GLY HA3 . 17955 1 252 . 1 1 25 25 GLY C C 13 175.925 . . . . . . A 25 GLY C . 17955 1 253 . 1 1 25 25 GLY CA C 13 47.045 . . . . . . A 25 GLY CA . 17955 1 254 . 1 1 25 25 GLY N N 15 106.125 . . . . . . A 25 GLY N . 17955 1 255 . 1 1 26 26 VAL H H 1 8.101 . . . . . . A 26 VAL H . 17955 1 256 . 1 1 26 26 VAL HA H 1 3.623 . . . . . . A 26 VAL HA . 17955 1 257 . 1 1 26 26 VAL HB H 1 1.908 . . . . . . A 26 VAL HB . 17955 1 258 . 1 1 26 26 VAL HG11 H 1 0.756 . . . . . . A 26 VAL HG11 . 17955 1 259 . 1 1 26 26 VAL HG12 H 1 0.756 . . . . . . A 26 VAL HG12 . 17955 1 260 . 1 1 26 26 VAL HG13 H 1 0.756 . . . . . . A 26 VAL HG13 . 17955 1 261 . 1 1 26 26 VAL HG21 H 1 0.696 . . . . . . A 26 VAL HG21 . 17955 1 262 . 1 1 26 26 VAL HG22 H 1 0.696 . . . . . . A 26 VAL HG22 . 17955 1 263 . 1 1 26 26 VAL HG23 H 1 0.696 . . . . . . A 26 VAL HG23 . 17955 1 264 . 1 1 26 26 VAL C C 13 177.956 . . . . . . A 26 VAL C . 17955 1 265 . 1 1 26 26 VAL CA C 13 66.325 . . . . . . A 26 VAL CA . 17955 1 266 . 1 1 26 26 VAL CB C 13 31.580 . . . . . . A 26 VAL CB . 17955 1 267 . 1 1 26 26 VAL CG1 C 13 20.227 . . . . . . A 26 VAL CG1 . 17955 1 268 . 1 1 26 26 VAL CG2 C 13 21.605 . . . . . . A 26 VAL CG2 . 17955 1 269 . 1 1 26 26 VAL N N 15 120.744 . . . . . . A 26 VAL N . 17955 1 270 . 1 1 27 27 HIS H H 1 8.001 . . . . . . A 27 HIS H . 17955 1 271 . 1 1 27 27 HIS HA H 1 4.192 . . . . . . A 27 HIS HA . 17955 1 272 . 1 1 27 27 HIS HB2 H 1 3.254 . . . . . . A 27 HIS HB2 . 17955 1 273 . 1 1 27 27 HIS HB3 H 1 3.254 . . . . . . A 27 HIS HB3 . 17955 1 274 . 1 1 27 27 HIS HE1 H 1 8.376 . . . . . . A 27 HIS HE1 . 17955 1 275 . 1 1 27 27 HIS C C 13 176.407 . . . . . . A 27 HIS C . 17955 1 276 . 1 1 27 27 HIS CA C 13 59.524 . . . . . . A 27 HIS CA . 17955 1 277 . 1 1 27 27 HIS CB C 13 27.572 . . . . . . A 27 HIS CB . 17955 1 278 . 1 1 27 27 HIS CE1 C 13 135.544 . . . . . . A 27 HIS CE1 . 17955 1 279 . 1 1 27 27 HIS N N 15 115.112 . . . . . . A 27 HIS N . 17955 1 280 . 1 1 28 28 ARG H H 1 8.082 . . . . . . A 28 ARG H . 17955 1 281 . 1 1 28 28 ARG HA H 1 4.120 . . . . . . A 28 ARG HA . 17955 1 282 . 1 1 28 28 ARG HB2 H 1 1.998 . . . . . . A 28 ARG HB2 . 17955 1 283 . 1 1 28 28 ARG HB3 H 1 1.998 . . . . . . A 28 ARG HB3 . 17955 1 284 . 1 1 28 28 ARG HG2 H 1 1.629 . . . . . . A 28 ARG HG2 . 17955 1 285 . 1 1 28 28 ARG HG3 H 1 1.750 . . . . . . A 28 ARG HG3 . 17955 1 286 . 1 1 28 28 ARG HD2 H 1 3.133 . . . . . . A 28 ARG HD2 . 17955 1 287 . 1 1 28 28 ARG HD3 H 1 3.172 . . . . . . A 28 ARG HD3 . 17955 1 288 . 1 1 28 28 ARG HH21 H 1 7.015 . . . . . . A 28 ARG HH21 . 17955 1 289 . 1 1 28 28 ARG HH22 H 1 6.870 . . . . . . A 28 ARG HH22 . 17955 1 290 . 1 1 28 28 ARG C C 13 178.348 . . . . . . A 28 ARG C . 17955 1 291 . 1 1 28 28 ARG CA C 13 59.076 . . . . . . A 28 ARG CA . 17955 1 292 . 1 1 28 28 ARG CB C 13 29.761 . . . . . . A 28 ARG CB . 17955 1 293 . 1 1 28 28 ARG CG C 13 27.324 . . . . . . A 28 ARG CG . 17955 1 294 . 1 1 28 28 ARG CD C 13 43.156 . . . . . . A 28 ARG CD . 17955 1 295 . 1 1 28 28 ARG N N 15 119.052 . . . . . . A 28 ARG N . 17955 1 296 . 1 1 28 28 ARG NH2 N 15 123.391 . . . . . . A 28 ARG NH2 . 17955 1 297 . 1 1 29 29 LEU H H 1 8.056 . . . . . . A 29 LEU H . 17955 1 298 . 1 1 29 29 LEU HA H 1 4.132 . . . . . . A 29 LEU HA . 17955 1 299 . 1 1 29 29 LEU HB2 H 1 1.622 . . . . . . A 29 LEU HB2 . 17955 1 300 . 1 1 29 29 LEU HB3 H 1 1.840 . . . . . . A 29 LEU HB3 . 17955 1 301 . 1 1 29 29 LEU HG H 1 1.752 . . . . . . A 29 LEU HG . 17955 1 302 . 1 1 29 29 LEU HD11 H 1 0.889 . . . . . . A 29 LEU HD11 . 17955 1 303 . 1 1 29 29 LEU HD12 H 1 0.889 . . . . . . A 29 LEU HD12 . 17955 1 304 . 1 1 29 29 LEU HD13 H 1 0.889 . . . . . . A 29 LEU HD13 . 17955 1 305 . 1 1 29 29 LEU HD21 H 1 0.863 . . . . . . A 29 LEU HD21 . 17955 1 306 . 1 1 29 29 LEU HD22 H 1 0.863 . . . . . . A 29 LEU HD22 . 17955 1 307 . 1 1 29 29 LEU HD23 H 1 0.863 . . . . . . A 29 LEU HD23 . 17955 1 308 . 1 1 29 29 LEU C C 13 179.126 . . . . . . A 29 LEU C . 17955 1 309 . 1 1 29 29 LEU CA C 13 57.425 . . . . . . A 29 LEU CA . 17955 1 310 . 1 1 29 29 LEU CB C 13 42.057 . . . . . . A 29 LEU CB . 17955 1 311 . 1 1 29 29 LEU CG C 13 26.815 . . . . . . A 29 LEU CG . 17955 1 312 . 1 1 29 29 LEU CD1 C 13 23.984 . . . . . . A 29 LEU CD1 . 17955 1 313 . 1 1 29 29 LEU CD2 C 13 22.562 . . . . . . A 29 LEU CD2 . 17955 1 314 . 1 1 29 29 LEU N N 15 120.210 . . . . . . A 29 LEU N . 17955 1 315 . 1 1 30 30 ALA H H 1 8.231 . . . . . . A 30 ALA H . 17955 1 316 . 1 1 30 30 ALA HA H 1 4.171 . . . . . . A 30 ALA HA . 17955 1 317 . 1 1 30 30 ALA HB1 H 1 1.414 . . . . . . A 30 ALA HB1 . 17955 1 318 . 1 1 30 30 ALA HB2 H 1 1.414 . . . . . . A 30 ALA HB2 . 17955 1 319 . 1 1 30 30 ALA HB3 H 1 1.414 . . . . . . A 30 ALA HB3 . 17955 1 320 . 1 1 30 30 ALA C C 13 178.288 . . . . . . A 30 ALA C . 17955 1 321 . 1 1 30 30 ALA CA C 13 53.831 . . . . . . A 30 ALA CA . 17955 1 322 . 1 1 30 30 ALA CB C 13 17.870 . . . . . . A 30 ALA CB . 17955 1 323 . 1 1 30 30 ALA N N 15 120.612 . . . . . . A 30 ALA N . 17955 1 324 . 1 1 31 31 ASN H H 1 7.807 . . . . . . A 31 ASN H . 17955 1 325 . 1 1 31 31 ASN HA H 1 4.756 . . . . . . A 31 ASN HA . 17955 1 326 . 1 1 31 31 ASN HB2 H 1 2.798 . . . . . . A 31 ASN HB2 . 17955 1 327 . 1 1 31 31 ASN HB3 H 1 2.947 . . . . . . A 31 ASN HB3 . 17955 1 328 . 1 1 31 31 ASN HD21 H 1 7.307 . . . . . . A 31 ASN HD21 . 17955 1 329 . 1 1 31 31 ASN HD22 H 1 6.353 . . . . . . A 31 ASN HD22 . 17955 1 330 . 1 1 31 31 ASN C C 13 176.027 . . . . . . A 31 ASN C . 17955 1 331 . 1 1 31 31 ASN CA C 13 53.459 . . . . . . A 31 ASN CA . 17955 1 332 . 1 1 31 31 ASN CB C 13 38.974 . . . . . . A 31 ASN CB . 17955 1 333 . 1 1 31 31 ASN CG C 13 177.342 . . . . . . A 31 ASN CG . 17955 1 334 . 1 1 31 31 ASN N N 15 114.606 . . . . . . A 31 ASN N . 17955 1 335 . 1 1 31 31 ASN ND2 N 15 108.754 . . . . . . A 31 ASN ND2 . 17955 1 336 . 1 1 32 32 GLY H H 1 8.037 . . . . . . A 32 GLY H . 17955 1 337 . 1 1 32 32 GLY HA2 H 1 3.884 . . . . . . A 32 GLY HA2 . 17955 1 338 . 1 1 32 32 GLY HA3 H 1 3.978 . . . . . . A 32 GLY HA3 . 17955 1 339 . 1 1 32 32 GLY C C 13 174.785 . . . . . . A 32 GLY C . 17955 1 340 . 1 1 32 32 GLY CA C 13 45.963 . . . . . . A 32 GLY CA . 17955 1 341 . 1 1 32 32 GLY N N 15 106.961 . . . . . . A 32 GLY N . 17955 1 342 . 1 1 33 33 GLY H H 1 8.169 . . . . . . A 33 GLY H . 17955 1 343 . 1 1 33 33 GLY HA2 H 1 3.809 . . . . . . A 33 GLY HA2 . 17955 1 344 . 1 1 33 33 GLY HA3 H 1 3.999 . . . . . . A 33 GLY HA3 . 17955 1 345 . 1 1 33 33 GLY C C 13 173.780 . . . . . . A 33 GLY C . 17955 1 346 . 1 1 33 33 GLY CA C 13 45.494 . . . . . . A 33 GLY CA . 17955 1 347 . 1 1 33 33 GLY N N 15 107.132 . . . . . . A 33 GLY N . 17955 1 348 . 1 1 34 34 ASN H H 1 7.772 . . . . . . A 34 ASN H . 17955 1 349 . 1 1 34 34 ASN HA H 1 4.713 . . . . . . A 34 ASN HA . 17955 1 350 . 1 1 34 34 ASN HB2 H 1 2.762 . . . . . . A 34 ASN HB2 . 17955 1 351 . 1 1 34 34 ASN HB3 H 1 2.832 . . . . . . A 34 ASN HB3 . 17955 1 352 . 1 1 34 34 ASN HD21 H 1 7.060 . . . . . . A 34 ASN HD21 . 17955 1 353 . 1 1 34 34 ASN HD22 H 1 6.127 . . . . . . A 34 ASN HD22 . 17955 1 354 . 1 1 34 34 ASN C C 13 175.053 . . . . . . A 34 ASN C . 17955 1 355 . 1 1 34 34 ASN CA C 13 53.002 . . . . . . A 34 ASN CA . 17955 1 356 . 1 1 34 34 ASN CB C 13 38.808 . . . . . . A 34 ASN CB . 17955 1 357 . 1 1 34 34 ASN CG C 13 176.658 . . . . . . A 34 ASN CG . 17955 1 358 . 1 1 34 34 ASN N N 15 116.979 . . . . . . A 34 ASN N . 17955 1 359 . 1 1 34 34 ASN ND2 N 15 108.439 . . . . . . A 34 ASN ND2 . 17955 1 360 . 1 1 35 35 GLY H H 1 7.887 . . . . . . A 35 GLY H . 17955 1 361 . 1 1 35 35 GLY HA2 H 1 3.681 . . . . . . A 35 GLY HA2 . 17955 1 362 . 1 1 35 35 GLY HA3 H 1 3.810 . . . . . . A 35 GLY HA3 . 17955 1 363 . 1 1 35 35 GLY C C 13 173.217 . . . . . . A 35 GLY C . 17955 1 364 . 1 1 35 35 GLY CA C 13 45.105 . . . . . . A 35 GLY CA . 17955 1 365 . 1 1 35 35 GLY N N 15 106.851 . . . . . . A 35 GLY N . 17955 1 366 . 1 1 36 36 PHE H H 1 7.565 . . . . . . A 36 PHE H . 17955 1 367 . 1 1 36 36 PHE HA H 1 4.556 . . . . . . A 36 PHE HA . 17955 1 368 . 1 1 36 36 PHE HB2 H 1 2.902 . . . . . . A 36 PHE HB2 . 17955 1 369 . 1 1 36 36 PHE HB3 H 1 3.024 . . . . . . A 36 PHE HB3 . 17955 1 370 . 1 1 36 36 PHE C C 13 174.885 . . . . . . A 36 PHE C . 17955 1 371 . 1 1 36 36 PHE CA C 13 57.973 . . . . . . A 36 PHE CA . 17955 1 372 . 1 1 36 36 PHE CB C 13 39.520 . . . . . . A 36 PHE CB . 17955 1 373 . 1 1 36 36 PHE N N 15 118.642 . . . . . . A 36 PHE N . 17955 1 374 . 1 1 37 37 TRP H H 1 7.462 . . . . . . A 37 TRP H . 17955 1 375 . 1 1 37 37 TRP HA H 1 4.765 . . . . . . A 37 TRP HA . 17955 1 376 . 1 1 37 37 TRP HB2 H 1 3.272 . . . . . . A 37 TRP HB2 . 17955 1 377 . 1 1 37 37 TRP HB3 H 1 3.358 . . . . . . A 37 TRP HB3 . 17955 1 378 . 1 1 37 37 TRP HD1 H 1 7.217 . . . . . . A 37 TRP HD1 . 17955 1 379 . 1 1 37 37 TRP HE1 H 1 9.379 . . . . . . A 37 TRP HE1 . 17955 1 380 . 1 1 37 37 TRP HZ3 H 1 7.099 . . . . . . A 37 TRP HZ3 . 17955 1 381 . 1 1 37 37 TRP CA C 13 56.073 . . . . . . A 37 TRP CA . 17955 1 382 . 1 1 37 37 TRP CB C 13 29.249 . . . . . . A 37 TRP CB . 17955 1 383 . 1 1 37 37 TRP CD1 C 13 129.493 . . . . . . A 37 TRP CD1 . 17955 1 384 . 1 1 37 37 TRP CZ3 C 13 126.435 . . . . . . A 37 TRP CZ3 . 17955 1 385 . 1 1 37 37 TRP N N 15 119.624 . . . . . . A 37 TRP N . 17955 1 386 . 1 1 37 37 TRP NE1 N 15 126.088 . . . . . . A 37 TRP NE1 . 17955 1 stop_ save_