################################### # 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 25071 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $MOPS_NMR_buffer _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 ; NMR chemical shifts for the UBZ were intially assigned using a construct of Rad18 residues 186-244. After the assignments were completed, a new construct composed of residues 198-227 was made. The 13C-edited NOESY was recollected on the 198-227 construct and confirmed that all assignments for residues 198-225 were consistent between the two constructs. ; _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' . . . 25071 1 2 '3D HNCO' . . . 25071 1 3 '3D HNCACB' . . . 25071 1 4 '3D HCCH-TOCSY' . . . 25071 1 5 '3D HBHA(CO)NH' . . . 25071 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CCPNmr_Analysis . . 25071 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 5 5 VAL H H 1 8.310 0.04 . 1 . . . A 199 VAL H . 25071 1 2 . 1 1 5 5 VAL HA H 1 4.183 0.04 . 1 . . . A 199 VAL HA . 25071 1 3 . 1 1 5 5 VAL HB H 1 2.072 0.04 . 1 . . . A 199 VAL HB . 25071 1 4 . 1 1 5 5 VAL C C 13 176.030 0.40 . 1 . . . A 199 VAL C . 25071 1 5 . 1 1 5 5 VAL CA C 13 62.222 0.40 . 1 . . . A 199 VAL CA . 25071 1 6 . 1 1 5 5 VAL CB C 13 32.946 0.40 . 1 . . . A 199 VAL CB . 25071 1 7 . 1 1 5 5 VAL N N 15 122.820 0.40 . 1 . . . A 199 VAL N . 25071 1 8 . 1 1 6 6 THR H H 1 8.520 0.04 . 1 . . . A 200 THR H . 25071 1 9 . 1 1 6 6 THR HA H 1 4.286 0.04 . 1 . . . A 200 THR HA . 25071 1 10 . 1 1 6 6 THR HB H 1 4.117 0.04 . 1 . . . A 200 THR HB . 25071 1 11 . 1 1 6 6 THR HG21 H 1 1.176 0.04 . 1 . . . A 200 THR HG21 . 25071 1 12 . 1 1 6 6 THR HG22 H 1 1.176 0.04 . 1 . . . A 200 THR HG22 . 25071 1 13 . 1 1 6 6 THR HG23 H 1 1.176 0.04 . 1 . . . A 200 THR HG23 . 25071 1 14 . 1 1 6 6 THR C C 13 174.130 0.40 . 1 . . . A 200 THR C . 25071 1 15 . 1 1 6 6 THR CA C 13 62.765 0.40 . 1 . . . A 200 THR CA . 25071 1 16 . 1 1 6 6 THR CB C 13 69.632 0.40 . 1 . . . A 200 THR CB . 25071 1 17 . 1 1 6 6 THR CG2 C 13 22.041 0.40 . 1 . . . A 200 THR CG2 . 25071 1 18 . 1 1 6 6 THR N N 15 121.314 0.40 . 1 . . . A 200 THR N . 25071 1 19 . 1 1 7 7 LYS H H 1 8.568 0.04 . 1 . . . A 201 LYS H . 25071 1 20 . 1 1 7 7 LYS HA H 1 4.797 0.04 . 1 . . . A 201 LYS HA . 25071 1 21 . 1 1 7 7 LYS HB2 H 1 1.606 0.04 . 2 . . . A 201 LYS HB2 . 25071 1 22 . 1 1 7 7 LYS HB3 H 1 1.512 0.04 . 2 . . . A 201 LYS HB3 . 25071 1 23 . 1 1 7 7 LYS HG2 H 1 1.418 0.04 . 2 . . . A 201 LYS HG2 . 25071 1 24 . 1 1 7 7 LYS HG3 H 1 0.991 0.04 . 2 . . . A 201 LYS HG3 . 25071 1 25 . 1 1 7 7 LYS HD2 H 1 1.488 0.04 . 2 . . . A 201 LYS HD2 . 25071 1 26 . 1 1 7 7 LYS HD3 H 1 1.488 0.04 . 2 . . . A 201 LYS HD3 . 25071 1 27 . 1 1 7 7 LYS HE2 H 1 2.813 0.04 . 2 . . . A 201 LYS HE2 . 25071 1 28 . 1 1 7 7 LYS HE3 H 1 2.819 0.04 . 2 . . . A 201 LYS HE3 . 25071 1 29 . 1 1 7 7 LYS C C 13 175.190 0.40 . 1 . . . A 201 LYS C . 25071 1 30 . 1 1 7 7 LYS CA C 13 55.333 0.40 . 1 . . . A 201 LYS CA . 25071 1 31 . 1 1 7 7 LYS CB C 13 35.146 0.40 . 1 . . . A 201 LYS CB . 25071 1 32 . 1 1 7 7 LYS CG C 13 25.133 0.40 . 1 . . . A 201 LYS CG . 25071 1 33 . 1 1 7 7 LYS CD C 13 29.036 0.40 . 1 . . . A 201 LYS CD . 25071 1 34 . 1 1 7 7 LYS CE C 13 41.981 0.40 . 1 . . . A 201 LYS CE . 25071 1 35 . 1 1 7 7 LYS N N 15 125.656 0.40 . 1 . . . A 201 LYS N . 25071 1 36 . 1 1 8 8 VAL H H 1 8.961 0.04 . 1 . . . A 202 VAL H . 25071 1 37 . 1 1 8 8 VAL HA H 1 4.408 0.04 . 1 . . . A 202 VAL HA . 25071 1 38 . 1 1 8 8 VAL HB H 1 2.046 0.04 . 1 . . . A 202 VAL HB . 25071 1 39 . 1 1 8 8 VAL HG11 H 1 0.835 0.04 . 2 . . . A 202 VAL HG11 . 25071 1 40 . 1 1 8 8 VAL HG12 H 1 0.835 0.04 . 2 . . . A 202 VAL HG12 . 25071 1 41 . 1 1 8 8 VAL HG13 H 1 0.835 0.04 . 2 . . . A 202 VAL HG13 . 25071 1 42 . 1 1 8 8 VAL HG21 H 1 0.771 0.04 . 2 . . . A 202 VAL HG21 . 25071 1 43 . 1 1 8 8 VAL HG22 H 1 0.771 0.04 . 2 . . . A 202 VAL HG22 . 25071 1 44 . 1 1 8 8 VAL HG23 H 1 0.771 0.04 . 2 . . . A 202 VAL HG23 . 25071 1 45 . 1 1 8 8 VAL C C 13 173.312 0.40 . 1 . . . A 202 VAL C . 25071 1 46 . 1 1 8 8 VAL CA C 13 59.547 0.40 . 1 . . . A 202 VAL CA . 25071 1 47 . 1 1 8 8 VAL CB C 13 35.288 0.40 . 1 . . . A 202 VAL CB . 25071 1 48 . 1 1 8 8 VAL CG1 C 13 21.312 0.40 . 2 . . . A 202 VAL CG1 . 25071 1 49 . 1 1 8 8 VAL CG2 C 13 19.274 0.40 . 2 . . . A 202 VAL CG2 . 25071 1 50 . 1 1 8 8 VAL N N 15 118.244 0.40 . 1 . . . A 202 VAL N . 25071 1 51 . 1 1 9 9 ASP H H 1 8.246 0.04 . 1 . . . A 203 ASP H . 25071 1 52 . 1 1 9 9 ASP HA H 1 5.072 0.04 . 1 . . . A 203 ASP HA . 25071 1 53 . 1 1 9 9 ASP HB2 H 1 2.315 0.04 . 2 . . . A 203 ASP HB2 . 25071 1 54 . 1 1 9 9 ASP HB3 H 1 2.187 0.04 . 2 . . . A 203 ASP HB3 . 25071 1 55 . 1 1 9 9 ASP C C 13 176.216 0.40 . 1 . . . A 203 ASP C . 25071 1 56 . 1 1 9 9 ASP CA C 13 52.630 0.40 . 1 . . . A 203 ASP CA . 25071 1 57 . 1 1 9 9 ASP CB C 13 41.028 0.40 . 1 . . . A 203 ASP CB . 25071 1 58 . 1 1 9 9 ASP N N 15 121.607 0.40 . 1 . . . A 203 ASP N . 25071 1 59 . 1 1 10 10 CYS H H 1 8.959 0.04 . 1 . . . A 204 CYS H . 25071 1 60 . 1 1 10 10 CYS HA H 1 4.503 0.04 . 1 . . . A 204 CYS HA . 25071 1 61 . 1 1 10 10 CYS HB2 H 1 2.499 0.04 . 2 . . . A 204 CYS HB2 . 25071 1 62 . 1 1 10 10 CYS HB3 H 1 3.201 0.04 . 2 . . . A 204 CYS HB3 . 25071 1 63 . 1 1 10 10 CYS CA C 13 57.078 0.40 . 1 . . . A 204 CYS CA . 25071 1 64 . 1 1 10 10 CYS CB C 13 30.833 0.40 . 1 . . . A 204 CYS CB . 25071 1 65 . 1 1 10 10 CYS N N 15 127.326 0.40 . 1 . . . A 204 CYS N . 25071 1 66 . 1 1 11 11 PRO HA H 1 4.463 0.04 . 1 . . . A 205 PRO HA . 25071 1 67 . 1 1 11 11 PRO HB2 H 1 2.062 0.04 . 2 . . . A 205 PRO HB2 . 25071 1 68 . 1 1 11 11 PRO HB3 H 1 2.367 0.04 . 2 . . . A 205 PRO HB3 . 25071 1 69 . 1 1 11 11 PRO HG2 H 1 2.175 0.04 . 2 . . . A 205 PRO HG2 . 25071 1 70 . 1 1 11 11 PRO HG3 H 1 2.022 0.04 . 2 . . . A 205 PRO HG3 . 25071 1 71 . 1 1 11 11 PRO HD2 H 1 4.343 0.04 . 2 . . . A 205 PRO HD2 . 25071 1 72 . 1 1 11 11 PRO HD3 H 1 3.943 0.04 . 2 . . . A 205 PRO HD3 . 25071 1 73 . 1 1 11 11 PRO C C 13 176.276 0.40 . 1 . . . A 205 PRO C . 25071 1 74 . 1 1 11 11 PRO CA C 13 64.302 0.40 . 1 . . . A 205 PRO CA . 25071 1 75 . 1 1 11 11 PRO CB C 13 32.321 0.40 . 1 . . . A 205 PRO CB . 25071 1 76 . 1 1 11 11 PRO CG C 13 26.930 0.40 . 1 . . . A 205 PRO CG . 25071 1 77 . 1 1 11 11 PRO CD C 13 51.335 0.40 . 1 . . . A 205 PRO CD . 25071 1 78 . 1 1 12 12 VAL H H 1 9.495 0.04 . 1 . . . A 206 VAL H . 25071 1 79 . 1 1 12 12 VAL HA H 1 3.958 0.04 . 1 . . . A 206 VAL HA . 25071 1 80 . 1 1 12 12 VAL HB H 1 2.440 0.04 . 1 . . . A 206 VAL HB . 25071 1 81 . 1 1 12 12 VAL HG11 H 1 0.814 0.04 . 2 . . . A 206 VAL HG11 . 25071 1 82 . 1 1 12 12 VAL HG12 H 1 0.814 0.04 . 2 . . . A 206 VAL HG12 . 25071 1 83 . 1 1 12 12 VAL HG13 H 1 0.814 0.04 . 2 . . . A 206 VAL HG13 . 25071 1 84 . 1 1 12 12 VAL HG21 H 1 0.871 0.04 . 2 . . . A 206 VAL HG21 . 25071 1 85 . 1 1 12 12 VAL HG22 H 1 0.871 0.04 . 2 . . . A 206 VAL HG22 . 25071 1 86 . 1 1 12 12 VAL HG23 H 1 0.871 0.04 . 2 . . . A 206 VAL HG23 . 25071 1 87 . 1 1 12 12 VAL C C 13 177.227 0.40 . 1 . . . A 206 VAL C . 25071 1 88 . 1 1 12 12 VAL CA C 13 65.208 0.40 . 1 . . . A 206 VAL CA . 25071 1 89 . 1 1 12 12 VAL CB C 13 32.551 0.40 . 1 . . . A 206 VAL CB . 25071 1 90 . 1 1 12 12 VAL CG1 C 13 21.935 0.40 . 2 . . . A 206 VAL CG1 . 25071 1 91 . 1 1 12 12 VAL CG2 C 13 21.879 0.40 . 2 . . . A 206 VAL CG2 . 25071 1 92 . 1 1 12 12 VAL N N 15 124.271 0.40 . 1 . . . A 206 VAL N . 25071 1 93 . 1 1 13 13 CYS H H 1 8.610 0.04 . 1 . . . A 207 CYS H . 25071 1 94 . 1 1 13 13 CYS HA H 1 4.927 0.04 . 1 . . . A 207 CYS HA . 25071 1 95 . 1 1 13 13 CYS HB2 H 1 2.603 0.04 . 2 . . . A 207 CYS HB2 . 25071 1 96 . 1 1 13 13 CYS HB3 H 1 3.244 0.04 . 2 . . . A 207 CYS HB3 . 25071 1 97 . 1 1 13 13 CYS C C 13 177.240 0.40 . 1 . . . A 207 CYS C . 25071 1 98 . 1 1 13 13 CYS CA C 13 58.935 0.40 . 1 . . . A 207 CYS CA . 25071 1 99 . 1 1 13 13 CYS CB C 13 32.423 0.40 . 1 . . . A 207 CYS CB . 25071 1 100 . 1 1 13 13 CYS N N 15 118.647 0.40 . 1 . . . A 207 CYS N . 25071 1 101 . 1 1 14 14 GLY H H 1 7.896 0.04 . 1 . . . A 208 GLY H . 25071 1 102 . 1 1 14 14 GLY HA2 H 1 3.806 0.04 . 2 . . . A 208 GLY HA2 . 25071 1 103 . 1 1 14 14 GLY HA3 H 1 4.118 0.04 . 2 . . . A 208 GLY HA3 . 25071 1 104 . 1 1 14 14 GLY C C 13 173.539 0.40 . 1 . . . A 208 GLY C . 25071 1 105 . 1 1 14 14 GLY CA C 13 46.283 0.40 . 1 . . . A 208 GLY CA . 25071 1 106 . 1 1 14 14 GLY N N 15 112.890 0.40 . 1 . . . A 208 GLY N . 25071 1 107 . 1 1 15 15 VAL H H 1 8.178 0.04 . 1 . . . A 209 VAL H . 25071 1 108 . 1 1 15 15 VAL HA H 1 3.956 0.04 . 1 . . . A 209 VAL HA . 25071 1 109 . 1 1 15 15 VAL HB H 1 2.057 0.04 . 1 . . . A 209 VAL HB . 25071 1 110 . 1 1 15 15 VAL HG11 H 1 0.902 0.04 . 2 . . . A 209 VAL HG11 . 25071 1 111 . 1 1 15 15 VAL HG12 H 1 0.902 0.04 . 2 . . . A 209 VAL HG12 . 25071 1 112 . 1 1 15 15 VAL HG13 H 1 0.902 0.04 . 2 . . . A 209 VAL HG13 . 25071 1 113 . 1 1 15 15 VAL HG21 H 1 0.785 0.04 . 2 . . . A 209 VAL HG21 . 25071 1 114 . 1 1 15 15 VAL HG22 H 1 0.785 0.04 . 2 . . . A 209 VAL HG22 . 25071 1 115 . 1 1 15 15 VAL HG23 H 1 0.785 0.04 . 2 . . . A 209 VAL HG23 . 25071 1 116 . 1 1 15 15 VAL C C 13 173.650 0.40 . 1 . . . A 209 VAL C . 25071 1 117 . 1 1 15 15 VAL CA C 13 63.229 0.40 . 1 . . . A 209 VAL CA . 25071 1 118 . 1 1 15 15 VAL CB C 13 32.168 0.40 . 1 . . . A 209 VAL CB . 25071 1 119 . 1 1 15 15 VAL CG1 C 13 22.190 0.40 . 2 . . . A 209 VAL CG1 . 25071 1 120 . 1 1 15 15 VAL CG2 C 13 21.229 0.40 . 2 . . . A 209 VAL CG2 . 25071 1 121 . 1 1 15 15 VAL N N 15 122.115 0.40 . 1 . . . A 209 VAL N . 25071 1 122 . 1 1 16 16 ASN H H 1 8.226 0.04 . 1 . . . A 210 ASN H . 25071 1 123 . 1 1 16 16 ASN HA H 1 5.123 0.04 . 1 . . . A 210 ASN HA . 25071 1 124 . 1 1 16 16 ASN HB2 H 1 2.510 0.04 . 2 . . . A 210 ASN HB2 . 25071 1 125 . 1 1 16 16 ASN HB3 H 1 2.731 0.04 . 2 . . . A 210 ASN HB3 . 25071 1 126 . 1 1 16 16 ASN HD21 H 1 7.716 0.04 . 2 . . . A 210 ASN HD21 . 25071 1 127 . 1 1 16 16 ASN HD22 H 1 6.476 0.04 . 2 . . . A 210 ASN HD22 . 25071 1 128 . 1 1 16 16 ASN C C 13 174.550 0.40 . 1 . . . A 210 ASN C . 25071 1 129 . 1 1 16 16 ASN CA C 13 53.921 0.40 . 1 . . . A 210 ASN CA . 25071 1 130 . 1 1 16 16 ASN CB C 13 40.688 0.40 . 1 . . . A 210 ASN CB . 25071 1 131 . 1 1 16 16 ASN N N 15 124.559 0.40 . 1 . . . A 210 ASN N . 25071 1 132 . 1 1 16 16 ASN ND2 N 15 110.685 0.40 . 1 . . . A 210 ASN ND2 . 25071 1 133 . 1 1 17 17 ILE H H 1 9.115 0.04 . 1 . . . A 211 ILE H . 25071 1 134 . 1 1 17 17 ILE HA H 1 4.691 0.04 . 1 . . . A 211 ILE HA . 25071 1 135 . 1 1 17 17 ILE HB H 1 1.738 0.04 . 1 . . . A 211 ILE HB . 25071 1 136 . 1 1 17 17 ILE HG12 H 1 1.003 0.04 . 2 . . . A 211 ILE HG12 . 25071 1 137 . 1 1 17 17 ILE HG13 H 1 1.003 0.04 . 2 . . . A 211 ILE HG13 . 25071 1 138 . 1 1 17 17 ILE HG21 H 1 0.778 0.04 . 1 . . . A 211 ILE HG21 . 25071 1 139 . 1 1 17 17 ILE HG22 H 1 0.778 0.04 . 1 . . . A 211 ILE HG22 . 25071 1 140 . 1 1 17 17 ILE HG23 H 1 0.778 0.04 . 1 . . . A 211 ILE HG23 . 25071 1 141 . 1 1 17 17 ILE HD11 H 1 0.336 0.04 . 1 . . . A 211 ILE HD11 . 25071 1 142 . 1 1 17 17 ILE HD12 H 1 0.336 0.04 . 1 . . . A 211 ILE HD12 . 25071 1 143 . 1 1 17 17 ILE HD13 H 1 0.336 0.04 . 1 . . . A 211 ILE HD13 . 25071 1 144 . 1 1 17 17 ILE CA C 13 57.498 0.40 . 1 . . . A 211 ILE CA . 25071 1 145 . 1 1 17 17 ILE CB C 13 41.177 0.40 . 1 . . . A 211 ILE CB . 25071 1 146 . 1 1 17 17 ILE CG1 C 13 25.680 0.40 . 1 . . . A 211 ILE CG1 . 25071 1 147 . 1 1 17 17 ILE CG2 C 13 17.404 0.40 . 1 . . . A 211 ILE CG2 . 25071 1 148 . 1 1 17 17 ILE CD1 C 13 12.402 0.40 . 1 . . . A 211 ILE CD1 . 25071 1 149 . 1 1 17 17 ILE N N 15 125.672 0.40 . 1 . . . A 211 ILE N . 25071 1 150 . 1 1 18 18 PRO HA H 1 4.489 0.04 . 1 . . . A 212 PRO HA . 25071 1 151 . 1 1 18 18 PRO HB2 H 1 2.262 0.04 . 2 . . . A 212 PRO HB2 . 25071 1 152 . 1 1 18 18 PRO HB3 H 1 1.679 0.04 . 2 . . . A 212 PRO HB3 . 25071 1 153 . 1 1 18 18 PRO HG2 H 1 1.882 0.04 . 2 . . . A 212 PRO HG2 . 25071 1 154 . 1 1 18 18 PRO HG3 H 1 1.746 0.04 . 2 . . . A 212 PRO HG3 . 25071 1 155 . 1 1 18 18 PRO HD2 H 1 3.795 0.04 . 2 . . . A 212 PRO HD2 . 25071 1 156 . 1 1 18 18 PRO HD3 H 1 3.452 0.04 . 2 . . . A 212 PRO HD3 . 25071 1 157 . 1 1 18 18 PRO C C 13 178.082 0.40 . 1 . . . A 212 PRO C . 25071 1 158 . 1 1 18 18 PRO CA C 13 63.423 0.40 . 1 . . . A 212 PRO CA . 25071 1 159 . 1 1 18 18 PRO CB C 13 32.011 0.40 . 1 . . . A 212 PRO CB . 25071 1 160 . 1 1 18 18 PRO CG C 13 28.344 0.40 . 1 . . . A 212 PRO CG . 25071 1 161 . 1 1 18 18 PRO CD C 13 50.879 0.40 . 1 . . . A 212 PRO CD . 25071 1 162 . 1 1 19 19 GLU H H 1 8.899 0.04 . 1 . . . A 213 GLU H . 25071 1 163 . 1 1 19 19 GLU HA H 1 3.858 0.04 . 1 . . . A 213 GLU HA . 25071 1 164 . 1 1 19 19 GLU HB2 H 1 2.003 0.04 . 2 . . . A 213 GLU HB2 . 25071 1 165 . 1 1 19 19 GLU HB3 H 1 1.921 0.04 . 2 . . . A 213 GLU HB3 . 25071 1 166 . 1 1 19 19 GLU HG2 H 1 2.286 0.04 . 2 . . . A 213 GLU HG2 . 25071 1 167 . 1 1 19 19 GLU HG3 H 1 2.221 0.04 . 2 . . . A 213 GLU HG3 . 25071 1 168 . 1 1 19 19 GLU C C 13 177.944 0.40 . 1 . . . A 213 GLU C . 25071 1 169 . 1 1 19 19 GLU CA C 13 59.664 0.40 . 1 . . . A 213 GLU CA . 25071 1 170 . 1 1 19 19 GLU CB C 13 29.551 0.40 . 1 . . . A 213 GLU CB . 25071 1 171 . 1 1 19 19 GLU CG C 13 36.081 0.40 . 1 . . . A 213 GLU CG . 25071 1 172 . 1 1 19 19 GLU N N 15 125.541 0.40 . 1 . . . A 213 GLU N . 25071 1 173 . 1 1 20 20 SER H H 1 8.251 0.04 . 1 . . . A 214 SER H . 25071 1 174 . 1 1 20 20 SER HA H 1 4.236 0.04 . 1 . . . A 214 SER HA . 25071 1 175 . 1 1 20 20 SER HB2 H 1 3.999 0.04 . 2 . . . A 214 SER HB2 . 25071 1 176 . 1 1 20 20 SER HB3 H 1 3.894 0.04 . 2 . . . A 214 SER HB3 . 25071 1 177 . 1 1 20 20 SER C C 13 175.495 0.40 . 1 . . . A 214 SER C . 25071 1 178 . 1 1 20 20 SER CA C 13 60.059 0.40 . 1 . . . A 214 SER CA . 25071 1 179 . 1 1 20 20 SER CB C 13 62.963 0.40 . 1 . . . A 214 SER CB . 25071 1 180 . 1 1 20 20 SER N N 15 111.930 0.40 . 1 . . . A 214 SER N . 25071 1 181 . 1 1 21 21 HIS H H 1 8.179 0.04 . 1 . . . A 215 HIS H . 25071 1 182 . 1 1 21 21 HIS HA H 1 4.957 0.04 . 1 . . . A 215 HIS HA . 25071 1 183 . 1 1 21 21 HIS HB2 H 1 3.374 0.04 . 2 . . . A 215 HIS HB2 . 25071 1 184 . 1 1 21 21 HIS HB3 H 1 2.956 0.04 . 2 . . . A 215 HIS HB3 . 25071 1 185 . 1 1 21 21 HIS CA C 13 55.625 0.40 . 1 . . . A 215 HIS CA . 25071 1 186 . 1 1 21 21 HIS CB C 13 32.479 0.40 . 1 . . . A 215 HIS CB . 25071 1 187 . 1 1 21 21 HIS N N 15 120.021 0.40 . 1 . . . A 215 HIS N . 25071 1 188 . 1 1 22 22 ILE H H 1 7.463 0.04 . 1 . . . A 216 ILE H . 25071 1 189 . 1 1 22 22 ILE HA H 1 4.038 0.04 . 1 . . . A 216 ILE HA . 25071 1 190 . 1 1 22 22 ILE HB H 1 1.768 0.04 . 1 . . . A 216 ILE HB . 25071 1 191 . 1 1 22 22 ILE HG12 H 1 1.433 0.04 . 2 . . . A 216 ILE HG12 . 25071 1 192 . 1 1 22 22 ILE HG13 H 1 1.460 0.04 . 2 . . . A 216 ILE HG13 . 25071 1 193 . 1 1 22 22 ILE HG21 H 1 1.101 0.04 . 1 . . . A 216 ILE HG21 . 25071 1 194 . 1 1 22 22 ILE HG22 H 1 1.101 0.04 . 1 . . . A 216 ILE HG22 . 25071 1 195 . 1 1 22 22 ILE HG23 H 1 1.101 0.04 . 1 . . . A 216 ILE HG23 . 25071 1 196 . 1 1 22 22 ILE HD11 H 1 0.915 0.04 . 1 . . . A 216 ILE HD11 . 25071 1 197 . 1 1 22 22 ILE HD12 H 1 0.915 0.04 . 1 . . . A 216 ILE HD12 . 25071 1 198 . 1 1 22 22 ILE HD13 H 1 0.915 0.04 . 1 . . . A 216 ILE HD13 . 25071 1 199 . 1 1 22 22 ILE C C 13 175.493 0.40 . 1 . . . A 216 ILE C . 25071 1 200 . 1 1 22 22 ILE CA C 13 63.186 0.40 . 1 . . . A 216 ILE CA . 25071 1 201 . 1 1 22 22 ILE CB C 13 38.092 0.40 . 1 . . . A 216 ILE CB . 25071 1 202 . 1 1 22 22 ILE CG1 C 13 29.005 0.40 . 1 . . . A 216 ILE CG1 . 25071 1 203 . 1 1 22 22 ILE CG2 C 13 17.865 0.40 . 1 . . . A 216 ILE CG2 . 25071 1 204 . 1 1 22 22 ILE CD1 C 13 13.402 0.40 . 1 . . . A 216 ILE CD1 . 25071 1 205 . 1 1 22 22 ILE N N 15 120.964 0.40 . 1 . . . A 216 ILE N . 25071 1 206 . 1 1 23 23 ASN H H 1 8.37 0.04 . 1 . . . A 217 ASN H . 25071 1 207 . 1 1 23 23 ASN HA H 1 4.452 0.04 . 1 . . . A 217 ASN HA . 25071 1 208 . 1 1 23 23 ASN HB2 H 1 2.777 0.04 . 2 . . . A 217 ASN HB2 . 25071 1 209 . 1 1 23 23 ASN HB3 H 1 2.802 0.04 . 2 . . . A 217 ASN HB3 . 25071 1 210 . 1 1 23 23 ASN HD21 H 1 7.614 0.04 . 2 . . . A 217 ASN HD21 . 25071 1 211 . 1 1 23 23 ASN HD22 H 1 6.945 0.04 . 2 . . . A 217 ASN HD22 . 25071 1 212 . 1 1 23 23 ASN C C 13 177.489 0.40 . 1 . . . A 217 ASN C . 25071 1 213 . 1 1 23 23 ASN CA C 13 57.149 0.40 . 1 . . . A 217 ASN CA . 25071 1 214 . 1 1 23 23 ASN CB C 13 37.372 0.40 . 1 . . . A 217 ASN CB . 25071 1 215 . 1 1 23 23 ASN N N 15 120.749 0.40 . 1 . . . A 217 ASN N . 25071 1 216 . 1 1 23 23 ASN ND2 N 15 111.745 0.40 . 1 . . . A 217 ASN ND2 . 25071 1 217 . 1 1 24 24 LYS H H 1 8.008 0.04 . 1 . . . A 218 LYS H . 25071 1 218 . 1 1 24 24 LYS HA H 1 4.166 0.04 . 1 . . . A 218 LYS HA . 25071 1 219 . 1 1 24 24 LYS HB2 H 1 1.798 0.04 . 2 . . . A 218 LYS HB2 . 25071 1 220 . 1 1 24 24 LYS HB3 H 1 1.798 0.04 . 2 . . . A 218 LYS HB3 . 25071 1 221 . 1 1 24 24 LYS HG2 H 1 1.474 0.04 . 2 . . . A 218 LYS HG2 . 25071 1 222 . 1 1 24 24 LYS HG3 H 1 1.474 0.04 . 2 . . . A 218 LYS HG3 . 25071 1 223 . 1 1 24 24 LYS HD2 H 1 1.682 0.04 . 2 . . . A 218 LYS HD2 . 25071 1 224 . 1 1 24 24 LYS HD3 H 1 1.682 0.04 . 2 . . . A 218 LYS HD3 . 25071 1 225 . 1 1 24 24 LYS HE2 H 1 2.970 0.04 . 2 . . . A 218 LYS HE2 . 25071 1 226 . 1 1 24 24 LYS HE3 H 1 2.970 0.04 . 2 . . . A 218 LYS HE3 . 25071 1 227 . 1 1 24 24 LYS C C 13 179.558 0.40 . 1 . . . A 218 LYS C . 25071 1 228 . 1 1 24 24 LYS CA C 13 58.158 0.40 . 1 . . . A 218 LYS CA . 25071 1 229 . 1 1 24 24 LYS CB C 13 31.971 0.40 . 1 . . . A 218 LYS CB . 25071 1 230 . 1 1 24 24 LYS CG C 13 24.891 0.40 . 1 . . . A 218 LYS CG . 25071 1 231 . 1 1 24 24 LYS CD C 13 28.806 0.40 . 1 . . . A 218 LYS CD . 25071 1 232 . 1 1 24 24 LYS CE C 13 42.082 0.40 . 1 . . . A 218 LYS CE . 25071 1 233 . 1 1 24 24 LYS N N 15 120.087 0.40 . 1 . . . A 218 LYS N . 25071 1 234 . 1 1 25 25 HIS H H 1 8.362 0.04 . 1 . . . A 219 HIS H . 25071 1 235 . 1 1 25 25 HIS HA H 1 4.183 0.04 . 1 . . . A 219 HIS HA . 25071 1 236 . 1 1 25 25 HIS HB2 H 1 3.361 0.04 . 2 . . . A 219 HIS HB2 . 25071 1 237 . 1 1 25 25 HIS HB3 H 1 3.164 0.04 . 2 . . . A 219 HIS HB3 . 25071 1 238 . 1 1 25 25 HIS CA C 13 60.072 0.40 . 1 . . . A 219 HIS CA . 25071 1 239 . 1 1 25 25 HIS CB C 13 28.594 0.40 . 1 . . . A 219 HIS CB . 25071 1 240 . 1 1 25 25 HIS N N 15 119.248 0.40 . 1 . . . A 219 HIS N . 25071 1 241 . 1 1 26 26 LEU H H 1 8.750 0.04 . 1 . . . A 220 LEU H . 25071 1 242 . 1 1 26 26 LEU HA H 1 3.920 0.04 . 1 . . . A 220 LEU HA . 25071 1 243 . 1 1 26 26 LEU HB2 H 1 1.963 0.04 . 2 . . . A 220 LEU HB2 . 25071 1 244 . 1 1 26 26 LEU HB3 H 1 1.589 0.04 . 2 . . . A 220 LEU HB3 . 25071 1 245 . 1 1 26 26 LEU HG H 1 1.951 0.04 . 1 . . . A 220 LEU HG . 25071 1 246 . 1 1 26 26 LEU HD11 H 1 1.068 0.04 . 2 . . . A 220 LEU HD11 . 25071 1 247 . 1 1 26 26 LEU HD12 H 1 1.068 0.04 . 2 . . . A 220 LEU HD12 . 25071 1 248 . 1 1 26 26 LEU HD13 H 1 1.068 0.04 . 2 . . . A 220 LEU HD13 . 25071 1 249 . 1 1 26 26 LEU HD21 H 1 0.992 0.04 . 2 . . . A 220 LEU HD21 . 25071 1 250 . 1 1 26 26 LEU HD22 H 1 0.992 0.04 . 2 . . . A 220 LEU HD22 . 25071 1 251 . 1 1 26 26 LEU HD23 H 1 0.992 0.04 . 2 . . . A 220 LEU HD23 . 25071 1 252 . 1 1 26 26 LEU C C 13 178.131 0.40 . 1 . . . A 220 LEU C . 25071 1 253 . 1 1 26 26 LEU CA C 13 58.146 0.40 . 1 . . . A 220 LEU CA . 25071 1 254 . 1 1 26 26 LEU CB C 13 41.992 0.40 . 1 . . . A 220 LEU CB . 25071 1 255 . 1 1 26 26 LEU CG C 13 27.480 0.40 . 1 . . . A 220 LEU CG . 25071 1 256 . 1 1 26 26 LEU CD1 C 13 24.523 0.40 . 2 . . . A 220 LEU CD1 . 25071 1 257 . 1 1 26 26 LEU CD2 C 13 25.708 0.40 . 2 . . . A 220 LEU CD2 . 25071 1 258 . 1 1 26 26 LEU N N 15 119.954 0.40 . 1 . . . A 220 LEU N . 25071 1 259 . 1 1 27 27 ASP H H 1 7.502 0.04 . 1 . . . A 221 ASP H . 25071 1 260 . 1 1 27 27 ASP HA H 1 4.372 0.04 . 1 . . . A 221 ASP HA . 25071 1 261 . 1 1 27 27 ASP HB2 H 1 2.793 0.04 . 2 . . . A 221 ASP HB2 . 25071 1 262 . 1 1 27 27 ASP HB3 H 1 2.643 0.04 . 2 . . . A 221 ASP HB3 . 25071 1 263 . 1 1 27 27 ASP C C 13 178.050 0.40 . 1 . . . A 221 ASP C . 25071 1 264 . 1 1 27 27 ASP CA C 13 57.272 0.40 . 1 . . . A 221 ASP CA . 25071 1 265 . 1 1 27 27 ASP CB C 13 40.746 0.40 . 1 . . . A 221 ASP CB . 25071 1 266 . 1 1 27 27 ASP N N 15 117.139 0.40 . 1 . . . A 221 ASP N . 25071 1 267 . 1 1 28 28 SER H H 1 7.219 0.04 . 1 . . . A 222 SER H . 25071 1 268 . 1 1 28 28 SER HA H 1 4.483 0.04 . 1 . . . A 222 SER HA . 25071 1 269 . 1 1 28 28 SER HB2 H 1 3.853 0.04 . 2 . . . A 222 SER HB2 . 25071 1 270 . 1 1 28 28 SER HB3 H 1 3.853 0.04 . 2 . . . A 222 SER HB3 . 25071 1 271 . 1 1 28 28 SER C C 13 174.763 0.40 . 1 . . . A 222 SER C . 25071 1 272 . 1 1 28 28 SER CA C 13 59.270 0.40 . 1 . . . A 222 SER CA . 25071 1 273 . 1 1 28 28 SER CB C 13 63.929 0.40 . 1 . . . A 222 SER CB . 25071 1 274 . 1 1 28 28 SER N N 15 111.282 0.40 . 1 . . . A 222 SER N . 25071 1 275 . 1 1 29 29 CYS H H 1 8.057 0.04 . 1 . . . A 223 CYS H . 25071 1 276 . 1 1 29 29 CYS HA H 1 3.910 0.04 . 1 . . . A 223 CYS HA . 25071 1 277 . 1 1 29 29 CYS HB2 H 1 2.088 0.04 . 2 . . . A 223 CYS HB2 . 25071 1 278 . 1 1 29 29 CYS HB3 H 1 2.617 0.04 . 2 . . . A 223 CYS HB3 . 25071 1 279 . 1 1 29 29 CYS C C 13 176.495 0.40 . 1 . . . A 223 CYS C . 25071 1 280 . 1 1 29 29 CYS CA C 13 63.382 0.40 . 1 . . . A 223 CYS CA . 25071 1 281 . 1 1 29 29 CYS CB C 13 29.297 0.40 . 1 . . . A 223 CYS CB . 25071 1 282 . 1 1 29 29 CYS N N 15 126.819 0.40 . 1 . . . A 223 CYS N . 25071 1 283 . 1 1 30 30 LEU H H 1 8.198 0.04 . 1 . . . A 224 LEU H . 25071 1 284 . 1 1 30 30 LEU HA H 1 4.286 0.04 . 1 . . . A 224 LEU HA . 25071 1 285 . 1 1 30 30 LEU HB2 H 1 1.700 0.04 . 2 . . . A 224 LEU HB2 . 25071 1 286 . 1 1 30 30 LEU HB3 H 1 1.579 0.04 . 2 . . . A 224 LEU HB3 . 25071 1 287 . 1 1 30 30 LEU CA C 13 55.844 0.40 . 1 . . . A 224 LEU CA . 25071 1 288 . 1 1 30 30 LEU CB C 13 42.553 0.40 . 1 . . . A 224 LEU CB . 25071 1 289 . 1 1 30 30 LEU N N 15 119.262 0.40 . 1 . . . A 224 LEU N . 25071 1 290 . 1 1 31 31 SER H H 1 7.810 0.04 . 1 . . . A 225 SER H . 25071 1 291 . 1 1 31 31 SER HA H 1 4.365 0.04 . 1 . . . A 225 SER HA . 25071 1 292 . 1 1 31 31 SER HB2 H 1 3.912 0.04 . 2 . . . A 225 SER HB2 . 25071 1 293 . 1 1 31 31 SER HB3 H 1 3.918 0.04 . 2 . . . A 225 SER HB3 . 25071 1 294 . 1 1 31 31 SER C C 13 174.988 0.40 . 1 . . . A 225 SER C . 25071 1 295 . 1 1 31 31 SER CA C 13 58.958 0.40 . 1 . . . A 225 SER CA . 25071 1 296 . 1 1 31 31 SER CB C 13 63.502 0.40 . 1 . . . A 225 SER CB . 25071 1 297 . 1 1 31 31 SER N N 15 114.923 0.40 . 1 . . . A 225 SER N . 25071 1 stop_ save_