################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36107 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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-1H TOCSY' 1 $sample_1 isotropic 36107 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36107 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36107 1 4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36107 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.232 0.001 . 1 . . 117 . A 1 ALA HA . 36107 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.534 0.001 . 1 . . 161 . A 1 ALA HB1 . 36107 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.534 0.001 . 1 . . 161 . A 1 ALA HB2 . 36107 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.534 0.001 . 1 . . 161 . A 1 ALA HB3 . 36107 1 5 . 1 . 1 1 1 ALA CA C 13 51.933 . . 1 . . 111 . A 1 ALA CA . 36107 1 6 . 1 . 1 1 1 ALA CB C 13 19.731 . . 1 . . 183 . A 1 ALA CB . 36107 1 7 . 1 . 1 2 2 PHE H H 1 8.740 0.002 . 1 . . 26 . A 2 PHE H . 36107 1 8 . 1 . 1 2 2 PHE HA H 1 4.875 . . 1 . . 73 . A 2 PHE HA . 36107 1 9 . 1 . 1 2 2 PHE HB2 H 1 3.186 0.002 . 2 . . 173 . A 2 PHE HB2 . 36107 1 10 . 1 . 1 2 2 PHE HB3 H 1 3.186 0.002 . 2 . . 172 . A 2 PHE HB3 . 36107 1 11 . 1 . 1 2 2 PHE HD1 H 1 7.314 0.002 . 3 . . 195 . A 2 PHE HD1 . 36107 1 12 . 1 . 1 2 2 PHE HD2 H 1 7.314 0.002 . 3 . . 195 . A 2 PHE HD2 . 36107 1 13 . 1 . 1 2 2 PHE HE1 H 1 7.223 0.007 . 3 . . 196 . A 2 PHE HE1 . 36107 1 14 . 1 . 1 2 2 PHE HE2 H 1 7.223 0.007 . 3 . . 196 . A 2 PHE HE2 . 36107 1 15 . 1 . 1 2 2 PHE HZ H 1 7.216 0.0 . 1 . . 206 . A 2 PHE HZ . 36107 1 16 . 1 . 1 2 2 PHE CB C 13 40.686 . . 1 . . 208 . A 2 PHE CB . 36107 1 17 . 1 . 1 2 2 PHE CD1 C 13 132.194 . . 3 . . 204 . A 2 PHE CD1 . 36107 1 18 . 1 . 1 2 2 PHE CD2 C 13 132.194 . . 3 . . 204 . A 2 PHE CD2 . 36107 1 19 . 1 . 1 2 2 PHE CE1 C 13 131.601 . . 3 . . 205 . A 2 PHE CE1 . 36107 1 20 . 1 . 1 2 2 PHE CE2 C 13 131.601 . . 3 . . 205 . A 2 PHE CE2 . 36107 1 21 . 1 . 1 2 2 PHE CZ C 13 129.899 . . 1 . . 207 . A 2 PHE CZ . 36107 1 22 . 1 . 1 2 2 PHE N N 15 122.108 . . 1 . . 27 . A 2 PHE N . 36107 1 23 . 1 . 1 3 3 CYS H H 1 8.015 0.002 . 1 . . 8 . A 3 CYS H . 36107 1 24 . 1 . 1 3 3 CYS HA H 1 5.594 0.004 . 1 . . 64 . A 3 CYS HA . 36107 1 25 . 1 . 1 3 3 CYS HB2 H 1 2.549 0.003 . 2 . . 163 . A 3 CYS HB2 . 36107 1 26 . 1 . 1 3 3 CYS HB3 H 1 2.856 0.006 . 2 . . 162 . A 3 CYS HB3 . 36107 1 27 . 1 . 1 3 3 CYS CA C 13 55.462 . . 1 . . 120 . A 3 CYS CA . 36107 1 28 . 1 . 1 3 3 CYS CB C 13 48.727 0.006 . 1 . . 187 . A 3 CYS CB . 36107 1 29 . 1 . 1 3 3 CYS N N 15 121.318 . . 1 . . 9 . A 3 CYS N . 36107 1 30 . 1 . 1 4 4 TRP H H 1 9.241 0.001 . 1 . . 37 . A 4 TRP H . 36107 1 31 . 1 . 1 4 4 TRP HB2 H 1 3.219 0.001 . 2 . . 100 . A 4 TRP HB2 . 36107 1 32 . 1 . 1 4 4 TRP HB3 H 1 3.222 0.009 . 2 . . 192 . A 4 TRP HB3 . 36107 1 33 . 1 . 1 4 4 TRP HD1 H 1 6.967 0.002 . 1 . . 81 . A 4 TRP HD1 . 36107 1 34 . 1 . 1 4 4 TRP HE1 H 1 10.002 0.002 . 1 . . 30 . A 4 TRP HE1 . 36107 1 35 . 1 . 1 4 4 TRP HE3 H 1 7.115 0.003 . 1 . . 178 . A 4 TRP HE3 . 36107 1 36 . 1 . 1 4 4 TRP HZ2 H 1 7.278 0.002 . 1 . . 101 . A 4 TRP HZ2 . 36107 1 37 . 1 . 1 4 4 TRP HZ3 H 1 6.915 0.004 . 1 . . 177 . A 4 TRP HZ3 . 36107 1 38 . 1 . 1 4 4 TRP HH2 H 1 7.010 0.003 . 1 . . 176 . A 4 TRP HH2 . 36107 1 39 . 1 . 1 4 4 TRP CB C 13 31.886 . . 1 . . 191 . A 4 TRP CB . 36107 1 40 . 1 . 1 4 4 TRP CD1 C 13 127.612 . . 1 . . 203 . A 4 TRP CD1 . 36107 1 41 . 1 . 1 4 4 TRP CE3 C 13 122.973 . . 1 . . 200 . A 4 TRP CE3 . 36107 1 42 . 1 . 1 4 4 TRP CZ2 C 13 113.948 . . 1 . . 197 . A 4 TRP CZ2 . 36107 1 43 . 1 . 1 4 4 TRP CZ3 C 13 121.826 . . 1 . . 199 . A 4 TRP CZ3 . 36107 1 44 . 1 . 1 4 4 TRP CH2 C 13 123.865 . . 1 . . 201 . A 4 TRP CH2 . 36107 1 45 . 1 . 1 4 4 TRP N N 15 122.069 . . 1 . . 38 . A 4 TRP N . 36107 1 46 . 1 . 1 4 4 TRP NE1 N 15 128.961 . . 1 . . 31 . A 4 TRP NE1 . 36107 1 47 . 1 . 1 5 5 ASN H H 1 8.667 0.003 . 1 . . 60 . A 5 ASN H . 36107 1 48 . 1 . 1 5 5 ASN HA H 1 5.175 0.001 . 1 . . 78 . A 5 ASN HA . 36107 1 49 . 1 . 1 5 5 ASN HB2 H 1 2.693 0.004 . 2 . . 166 . A 5 ASN HB2 . 36107 1 50 . 1 . 1 5 5 ASN HB3 H 1 2.442 0.005 . 2 . . 167 . A 5 ASN HB3 . 36107 1 51 . 1 . 1 5 5 ASN HD21 H 1 7.492 0.0 . 1 . . 47 . A 5 ASN HD21 . 36107 1 52 . 1 . 1 5 5 ASN HD22 H 1 6.745 0.001 . 1 . . 14 . A 5 ASN HD22 . 36107 1 53 . 1 . 1 5 5 ASN CA C 13 52.257 . . 1 . . 108 . A 5 ASN CA . 36107 1 54 . 1 . 1 5 5 ASN CB C 13 40.455 0.023 . 1 . . 185 . A 5 ASN CB . 36107 1 55 . 1 . 1 5 5 ASN N N 15 117.902 . . 1 . . 61 . A 5 ASN N . 36107 1 56 . 1 . 1 5 5 ASN ND2 N 15 112.683 0.001 . 1 . . 15 . A 5 ASN ND2 . 36107 1 57 . 1 . 1 6 6 VAL H H 1 8.802 0.004 . 1 . . 6 . A 6 VAL H . 36107 1 58 . 1 . 1 6 6 VAL HA H 1 4.293 0.002 . 1 . . 75 . A 6 VAL HA . 36107 1 59 . 1 . 1 6 6 VAL HB H 1 1.708 0.004 . 1 . . 85 . A 6 VAL HB . 36107 1 60 . 1 . 1 6 6 VAL HG11 H 1 0.907 0.006 . 2 . . 86 . A 6 VAL HG11 . 36107 1 61 . 1 . 1 6 6 VAL HG12 H 1 0.907 0.006 . 2 . . 86 . A 6 VAL HG12 . 36107 1 62 . 1 . 1 6 6 VAL HG13 H 1 0.907 0.006 . 2 . . 86 . A 6 VAL HG13 . 36107 1 63 . 1 . 1 6 6 VAL HG21 H 1 0.908 0.006 . 2 . . 159 . A 6 VAL HG21 . 36107 1 64 . 1 . 1 6 6 VAL HG22 H 1 0.908 0.006 . 2 . . 159 . A 6 VAL HG22 . 36107 1 65 . 1 . 1 6 6 VAL HG23 H 1 0.908 0.006 . 2 . . 159 . A 6 VAL HG23 . 36107 1 66 . 1 . 1 6 6 VAL CA C 13 61.926 . . 1 . . 122 . A 6 VAL CA . 36107 1 67 . 1 . 1 6 6 VAL CB C 13 33.243 0.029 . 1 . . 155 . A 6 VAL CB . 36107 1 68 . 1 . 1 6 6 VAL N N 15 124.605 . . 1 . . 7 . A 6 VAL N . 36107 1 69 . 1 . 1 7 7 CYS H H 1 8.941 0.001 . 1 . . 52 . A 7 CYS H . 36107 1 70 . 1 . 1 7 7 CYS HA H 1 5.621 0.003 . 1 . . 68 . A 7 CYS HA . 36107 1 71 . 1 . 1 7 7 CYS HB2 H 1 2.990 0.001 . 2 . . 103 . A 7 CYS HB2 . 36107 1 72 . 1 . 1 7 7 CYS HB3 H 1 2.382 0.001 . 2 . . 102 . A 7 CYS HB3 . 36107 1 73 . 1 . 1 7 7 CYS CA C 13 55.345 . . 1 . . 121 . A 7 CYS CA . 36107 1 74 . 1 . 1 7 7 CYS CB C 13 48.020 0.011 . 1 . . 189 . A 7 CYS CB . 36107 1 75 . 1 . 1 7 7 CYS N N 15 125.845 . . 1 . . 53 . A 7 CYS N . 36107 1 76 . 1 . 1 8 8 VAL H H 1 8.791 0.002 . 1 . . 48 . A 8 VAL H . 36107 1 77 . 1 . 1 8 8 VAL HA H 1 4.542 0.001 . 1 . . 76 . A 8 VAL HA . 36107 1 78 . 1 . 1 8 8 VAL HB H 1 2.170 0.002 . 1 . . 82 . A 8 VAL HB . 36107 1 79 . 1 . 1 8 8 VAL HG11 H 1 0.824 0.004 . 2 . . 91 . A 8 VAL HG11 . 36107 1 80 . 1 . 1 8 8 VAL HG12 H 1 0.824 0.004 . 2 . . 91 . A 8 VAL HG12 . 36107 1 81 . 1 . 1 8 8 VAL HG13 H 1 0.824 0.004 . 2 . . 91 . A 8 VAL HG13 . 36107 1 82 . 1 . 1 8 8 VAL HG21 H 1 0.914 0.005 . 2 . . 92 . A 8 VAL HG21 . 36107 1 83 . 1 . 1 8 8 VAL HG22 H 1 0.914 0.005 . 2 . . 92 . A 8 VAL HG22 . 36107 1 84 . 1 . 1 8 8 VAL HG23 H 1 0.914 0.005 . 2 . . 92 . A 8 VAL HG23 . 36107 1 85 . 1 . 1 8 8 VAL CA C 13 59.610 . . 1 . . 110 . A 8 VAL CA . 36107 1 86 . 1 . 1 8 8 VAL CB C 13 35.612 0.019 . 1 . . 157 . A 8 VAL CB . 36107 1 87 . 1 . 1 8 8 VAL N N 15 119.227 . . 1 . . 49 . A 8 VAL N . 36107 1 88 . 1 . 1 9 9 TYR H H 1 8.691 0.004 . 1 . . 45 . A 9 TYR H . 36107 1 89 . 1 . 1 9 9 TYR HA H 1 5.085 0.005 . 1 . . 72 . A 9 TYR HA . 36107 1 90 . 1 . 1 9 9 TYR HB2 H 1 2.787 0.004 . 2 . . 175 . A 9 TYR HB2 . 36107 1 91 . 1 . 1 9 9 TYR HB3 H 1 2.740 0.016 . 2 . . 174 . A 9 TYR HB3 . 36107 1 92 . 1 . 1 9 9 TYR HD1 H 1 6.870 0.003 . 3 . . 193 . A 9 TYR HD1 . 36107 1 93 . 1 . 1 9 9 TYR HD2 H 1 6.870 0.003 . 3 . . 193 . A 9 TYR HD2 . 36107 1 94 . 1 . 1 9 9 TYR HE1 H 1 6.733 0.002 . 3 . . 194 . A 9 TYR HE1 . 36107 1 95 . 1 . 1 9 9 TYR HE2 H 1 6.733 0.002 . 3 . . 194 . A 9 TYR HE2 . 36107 1 96 . 1 . 1 9 9 TYR CA C 13 57.879 . . 1 . . 119 . A 9 TYR CA . 36107 1 97 . 1 . 1 9 9 TYR CD1 C 13 132.785 . . 3 . . 202 . A 9 TYR CD1 . 36107 1 98 . 1 . 1 9 9 TYR CD2 C 13 132.785 . . 3 . . 202 . A 9 TYR CD2 . 36107 1 99 . 1 . 1 9 9 TYR CE1 C 13 118.026 . . 3 . . 198 . A 9 TYR CE1 . 36107 1 100 . 1 . 1 9 9 TYR CE2 C 13 118.026 . . 3 . . 198 . A 9 TYR CE2 . 36107 1 101 . 1 . 1 9 9 TYR N N 15 121.223 . . 1 . . 46 . A 9 TYR N . 36107 1 102 . 1 . 1 10 10 ARG H H 1 8.947 0.002 . 1 . . 33 . A 10 ARG H . 36107 1 103 . 1 . 1 10 10 ARG HA H 1 4.529 0.001 . 1 . . 67 . A 10 ARG HA . 36107 1 104 . 1 . 1 10 10 ARG HB2 H 1 1.737 0.004 . 2 . . 141 . A 10 ARG HB2 . 36107 1 105 . 1 . 1 10 10 ARG HB3 H 1 1.623 0.011 . 2 . . 143 . A 10 ARG HB3 . 36107 1 106 . 1 . 1 10 10 ARG HG2 H 1 1.607 0.009 . 2 . . 147 . A 10 ARG HG2 . 36107 1 107 . 1 . 1 10 10 ARG HG3 H 1 1.474 0.003 . 2 . . 145 . A 10 ARG HG3 . 36107 1 108 . 1 . 1 10 10 ARG HD2 H 1 3.183 0.007 . 2 . . 144 . A 10 ARG HD2 . 36107 1 109 . 1 . 1 10 10 ARG HD3 H 1 3.183 0.006 . 2 . . 95 . A 10 ARG HD3 . 36107 1 110 . 1 . 1 10 10 ARG HE H 1 7.201 0.004 . 1 . . 99 . A 10 ARG HE . 36107 1 111 . 1 . 1 10 10 ARG CA C 13 54.970 . . 1 . . 109 . A 10 ARG CA . 36107 1 112 . 1 . 1 10 10 ARG CB C 13 31.951 0.003 . 1 . . 142 . A 10 ARG CB . 36107 1 113 . 1 . 1 10 10 ARG CG C 13 26.996 0.015 . 1 . . 146 . A 10 ARG CG . 36107 1 114 . 1 . 1 10 10 ARG CD C 13 43.395 . . 1 . . 123 . A 10 ARG CD . 36107 1 115 . 1 . 1 10 10 ARG N N 15 124.686 . . 1 . . 34 . A 10 ARG N . 36107 1 116 . 1 . 1 11 11 ASN H H 1 9.514 0.001 . 1 . . 58 . A 11 ASN H . 36107 1 117 . 1 . 1 11 11 ASN HA H 1 4.273 0.003 . 1 . . 62 . A 11 ASN HA . 36107 1 118 . 1 . 1 11 11 ASN HB2 H 1 2.832 0.006 . 2 . . 165 . A 11 ASN HB2 . 36107 1 119 . 1 . 1 11 11 ASN HB3 H 1 3.006 0.009 . 2 . . 164 . A 11 ASN HB3 . 36107 1 120 . 1 . 1 11 11 ASN HD21 H 1 7.602 0.002 . 1 . . 20 . A 11 ASN HD21 . 36107 1 121 . 1 . 1 11 11 ASN HD22 H 1 6.915 0.005 . 1 . . 51 . A 11 ASN HD22 . 36107 1 122 . 1 . 1 11 11 ASN CA C 13 55.106 . . 1 . . 116 . A 11 ASN CA . 36107 1 123 . 1 . 1 11 11 ASN CB C 13 37.336 0.007 . 1 . . 184 . A 11 ASN CB . 36107 1 124 . 1 . 1 11 11 ASN N N 15 126.096 . . 1 . . 59 . A 11 ASN N . 36107 1 125 . 1 . 1 11 11 ASN ND2 N 15 112.941 0.0 . 1 . . 21 . A 11 ASN ND2 . 36107 1 126 . 1 . 1 12 12 ALA H H 1 8.509 0.001 . 1 . . 10 . A 12 ALA H . 36107 1 127 . 1 . 1 12 12 ALA HA H 1 3.963 0.001 . 1 . . 71 . A 12 ALA HA . 36107 1 128 . 1 . 1 12 12 ALA HB1 H 1 1.534 0.001 . 1 . . 160 . A 12 ALA HB1 . 36107 1 129 . 1 . 1 12 12 ALA HB2 H 1 1.534 0.001 . 1 . . 160 . A 12 ALA HB2 . 36107 1 130 . 1 . 1 12 12 ALA HB3 H 1 1.534 0.001 . 1 . . 160 . A 12 ALA HB3 . 36107 1 131 . 1 . 1 12 12 ALA CA C 13 53.721 . . 1 . . 113 . A 12 ALA CA . 36107 1 132 . 1 . 1 12 12 ALA CB C 13 17.906 . . 1 . . 182 . A 12 ALA CB . 36107 1 133 . 1 . 1 12 12 ALA N N 15 114.363 . . 1 . . 11 . A 12 ALA N . 36107 1 134 . 1 . 1 13 13 VAL H H 1 7.778 0.002 . 1 . . 18 . A 13 VAL H . 36107 1 135 . 1 . 1 13 13 VAL HA H 1 4.278 0.006 . 1 . . 63 . A 13 VAL HA . 36107 1 136 . 1 . 1 13 13 VAL HB H 1 2.099 0.002 . 1 . . 84 . A 13 VAL HB . 36107 1 137 . 1 . 1 13 13 VAL HG11 H 1 0.905 0.005 . 2 . . 89 . A 13 VAL HG11 . 36107 1 138 . 1 . 1 13 13 VAL HG12 H 1 0.905 0.005 . 2 . . 89 . A 13 VAL HG12 . 36107 1 139 . 1 . 1 13 13 VAL HG13 H 1 0.905 0.005 . 2 . . 89 . A 13 VAL HG13 . 36107 1 140 . 1 . 1 13 13 VAL HG21 H 1 0.958 0.002 . 2 . . 90 . A 13 VAL HG21 . 36107 1 141 . 1 . 1 13 13 VAL HG22 H 1 0.958 0.002 . 2 . . 90 . A 13 VAL HG22 . 36107 1 142 . 1 . 1 13 13 VAL HG23 H 1 0.958 0.002 . 2 . . 90 . A 13 VAL HG23 . 36107 1 143 . 1 . 1 13 13 VAL CA C 13 61.717 . . 1 . . 118 . A 13 VAL CA . 36107 1 144 . 1 . 1 13 13 VAL CB C 13 34.328 0.007 . 1 . . 158 . A 13 VAL CB . 36107 1 145 . 1 . 1 13 13 VAL N N 15 120.156 . . 1 . . 19 . A 13 VAL N . 36107 1 146 . 1 . 1 14 14 ARG H H 1 8.589 0.001 . 1 . . 39 . A 14 ARG H . 36107 1 147 . 1 . 1 14 14 ARG HA H 1 4.095 0.002 . 1 . . 70 . A 14 ARG HA . 36107 1 148 . 1 . 1 14 14 ARG HB2 H 1 1.663 0.003 . 2 . . 127 . A 14 ARG HB2 . 36107 1 149 . 1 . 1 14 14 ARG HB3 H 1 1.292 0.004 . 2 . . 129 . A 14 ARG HB3 . 36107 1 150 . 1 . 1 14 14 ARG HG2 H 1 1.202 0.004 . 2 . . 132 . A 14 ARG HG2 . 36107 1 151 . 1 . 1 14 14 ARG HG3 H 1 0.883 0.006 . 2 . . 130 . A 14 ARG HG3 . 36107 1 152 . 1 . 1 14 14 ARG HD2 H 1 3.017 0.003 . 2 . . 133 . A 14 ARG HD2 . 36107 1 153 . 1 . 1 14 14 ARG HD3 H 1 3.017 0.003 . 2 . . 94 . A 14 ARG HD3 . 36107 1 154 . 1 . 1 14 14 ARG HE H 1 7.051 0.001 . 1 . . 93 . A 14 ARG HE . 36107 1 155 . 1 . 1 14 14 ARG CA C 13 55.923 . . 1 . . 114 . A 14 ARG CA . 36107 1 156 . 1 . 1 14 14 ARG CB C 13 30.944 0.013 . 1 . . 128 . A 14 ARG CB . 36107 1 157 . 1 . 1 14 14 ARG CG C 13 28.071 0.001 . 1 . . 131 . A 14 ARG CG . 36107 1 158 . 1 . 1 14 14 ARG CD C 13 43.669 . . 1 . . 126 . A 14 ARG CD . 36107 1 159 . 1 . 1 14 14 ARG N N 15 127.680 . . 1 . . 40 . A 14 ARG N . 36107 1 160 . 1 . 1 15 15 VAL H H 1 9.077 0.002 . 1 . . 54 . A 15 VAL H . 36107 1 161 . 1 . 1 15 15 VAL HA H 1 4.232 0.001 . 1 . . 66 . A 15 VAL HA . 36107 1 162 . 1 . 1 15 15 VAL HB H 1 1.911 0.003 . 1 . . 83 . A 15 VAL HB . 36107 1 163 . 1 . 1 15 15 VAL HG11 H 1 0.820 0.003 . 2 . . 88 . A 15 VAL HG11 . 36107 1 164 . 1 . 1 15 15 VAL HG12 H 1 0.820 0.003 . 2 . . 88 . A 15 VAL HG12 . 36107 1 165 . 1 . 1 15 15 VAL HG13 H 1 0.820 0.003 . 2 . . 88 . A 15 VAL HG13 . 36107 1 166 . 1 . 1 15 15 VAL HG21 H 1 0.873 0.009 . 2 . . 87 . A 15 VAL HG21 . 36107 1 167 . 1 . 1 15 15 VAL HG22 H 1 0.873 0.009 . 2 . . 87 . A 15 VAL HG22 . 36107 1 168 . 1 . 1 15 15 VAL HG23 H 1 0.873 0.009 . 2 . . 87 . A 15 VAL HG23 . 36107 1 169 . 1 . 1 15 15 VAL CA C 13 61.758 . . 1 . . 112 . A 15 VAL CA . 36107 1 170 . 1 . 1 15 15 VAL CB C 13 33.944 0.021 . 1 . . 156 . A 15 VAL CB . 36107 1 171 . 1 . 1 15 15 VAL N N 15 129.063 . . 1 . . 55 . A 15 VAL N . 36107 1 172 . 1 . 1 16 16 CYS H H 1 8.893 0.004 . 1 . . 41 . A 16 CYS H . 36107 1 173 . 1 . 1 16 16 CYS HA H 1 5.684 0.005 . 1 . . 69 . A 16 CYS HA . 36107 1 174 . 1 . 1 16 16 CYS HB2 H 1 2.928 0.007 . 2 . . 170 . A 16 CYS HB2 . 36107 1 175 . 1 . 1 16 16 CYS HB3 H 1 2.641 0.001 . 2 . . 171 . A 16 CYS HB3 . 36107 1 176 . 1 . 1 16 16 CYS CA C 13 55.150 . . 1 . . 106 . A 16 CYS CA . 36107 1 177 . 1 . 1 16 16 CYS CB C 13 48.399 0.0 . 1 . . 188 . A 16 CYS CB . 36107 1 178 . 1 . 1 16 16 CYS N N 15 125.746 . . 1 . . 42 . A 16 CYS N . 36107 1 179 . 1 . 1 17 17 HIS H H 1 8.864 0.001 . 1 . . 16 . A 17 HIS H . 36107 1 180 . 1 . 1 17 17 HIS HB2 H 1 3.158 0.008 . 2 . . 180 . A 17 HIS HB2 . 36107 1 181 . 1 . 1 17 17 HIS HB3 H 1 3.078 0.006 . 2 . . 179 . A 17 HIS HB3 . 36107 1 182 . 1 . 1 17 17 HIS HD2 H 1 7.164 0.003 . 1 . . 239 . A 17 HIS HD2 . 36107 1 183 . 1 . 1 17 17 HIS HE1 H 1 8.520 0.002 . 1 . . 238 . A 17 HIS HE1 . 36107 1 184 . 1 . 1 17 17 HIS CB C 13 31.595 0.002 . 1 . . 181 . A 17 HIS CB . 36107 1 185 . 1 . 1 17 17 HIS CD2 C 13 120.144 . . 1 . . 240 . A 17 HIS CD2 . 36107 1 186 . 1 . 1 17 17 HIS CE1 C 13 136.309 . . 1 . . 241 . A 17 HIS CE1 . 36107 1 187 . 1 . 1 17 17 HIS N N 15 118.107 . . 1 . . 17 . A 17 HIS N . 36107 1 188 . 1 . 1 18 18 ARG H H 1 8.661 0.001 . 1 . . 35 . A 18 ARG H . 36107 1 189 . 1 . 1 18 18 ARG HA H 1 4.734 . . 1 . . 80 . A 18 ARG HA . 36107 1 190 . 1 . 1 18 18 ARG HB2 H 1 1.606 0.003 . 2 . . 152 . A 18 ARG HB2 . 36107 1 191 . 1 . 1 18 18 ARG HB3 H 1 1.606 0.003 . 2 . . 153 . A 18 ARG HB3 . 36107 1 192 . 1 . 1 18 18 ARG HG2 H 1 1.384 0.002 . 2 . . 150 . A 18 ARG HG2 . 36107 1 193 . 1 . 1 18 18 ARG HG3 H 1 1.384 0.002 . 2 . . 148 . A 18 ARG HG3 . 36107 1 194 . 1 . 1 18 18 ARG HD2 H 1 3.035 0.004 . 2 . . 154 . A 18 ARG HD2 . 36107 1 195 . 1 . 1 18 18 ARG HD3 H 1 3.034 0.004 . 2 . . 96 . A 18 ARG HD3 . 36107 1 196 . 1 . 1 18 18 ARG HE H 1 7.121 0.001 . 1 . . 97 . A 18 ARG HE . 36107 1 197 . 1 . 1 18 18 ARG CB C 13 31.752 . . 1 . . 151 . A 18 ARG CB . 36107 1 198 . 1 . 1 18 18 ARG CG C 13 27.451 . . 1 . . 149 . A 18 ARG CG . 36107 1 199 . 1 . 1 18 18 ARG CD C 13 43.672 . . 1 . . 125 . A 18 ARG CD . 36107 1 200 . 1 . 1 18 18 ARG N N 15 124.296 . . 1 . . 36 . A 18 ARG N . 36107 1 201 . 1 . 1 19 19 ARG H H 1 8.773 0.001 . 1 . . 24 . A 19 ARG H . 36107 1 202 . 1 . 1 19 19 ARG HA H 1 4.327 0.006 . 1 . . 77 . A 19 ARG HA . 36107 1 203 . 1 . 1 19 19 ARG HB2 H 1 0.914 0.008 . 2 . . 136 . A 19 ARG HB2 . 36107 1 204 . 1 . 1 19 19 ARG HB3 H 1 0.793 0.004 . 2 . . 134 . A 19 ARG HB3 . 36107 1 205 . 1 . 1 19 19 ARG HG2 H 1 1.279 0.003 . 2 . . 137 . A 19 ARG HG2 . 36107 1 206 . 1 . 1 19 19 ARG HG3 H 1 1.156 0.004 . 2 . . 139 . A 19 ARG HG3 . 36107 1 207 . 1 . 1 19 19 ARG HD2 H 1 3.093 0.003 . 2 . . 140 . A 19 ARG HD2 . 36107 1 208 . 1 . 1 19 19 ARG HD3 H 1 3.093 0.003 . 2 . . 79 . A 19 ARG HD3 . 36107 1 209 . 1 . 1 19 19 ARG HE H 1 7.156 0.005 . 1 . . 98 . A 19 ARG HE . 36107 1 210 . 1 . 1 19 19 ARG CA C 13 54.473 . . 1 . . 115 . A 19 ARG CA . 36107 1 211 . 1 . 1 19 19 ARG CB C 13 32.894 0.004 . 1 . . 135 . A 19 ARG CB . 36107 1 212 . 1 . 1 19 19 ARG CG C 13 26.780 0.01 . 1 . . 138 . A 19 ARG CG . 36107 1 213 . 1 . 1 19 19 ARG CD C 13 43.303 . . 1 . . 124 . A 19 ARG CD . 36107 1 214 . 1 . 1 19 19 ARG N N 15 127.871 . . 1 . . 25 . A 19 ARG N . 36107 1 215 . 1 . 1 20 20 CYS H H 1 8.181 0.001 . 1 . . 43 . A 20 CYS H . 36107 1 216 . 1 . 1 20 20 CYS HA H 1 5.349 0.003 . 1 . . 65 . A 20 CYS HA . 36107 1 217 . 1 . 1 20 20 CYS HB2 H 1 2.843 0.004 . 2 . . 104 . A 20 CYS HB2 . 36107 1 218 . 1 . 1 20 20 CYS HB3 H 1 2.905 0.005 . 2 . . 105 . A 20 CYS HB3 . 36107 1 219 . 1 . 1 20 20 CYS CA C 13 55.127 . . 1 . . 107 . A 20 CYS CA . 36107 1 220 . 1 . 1 20 20 CYS CB C 13 48.574 0.004 . 1 . . 190 . A 20 CYS CB . 36107 1 221 . 1 . 1 20 20 CYS N N 15 117.884 . . 1 . . 44 . A 20 CYS N . 36107 1 222 . 1 . 1 21 21 ASN H H 1 8.834 0.001 . 1 . . 56 . A 21 ASN H . 36107 1 223 . 1 . 1 21 21 ASN HA H 1 4.871 . . 1 . . 74 . A 21 ASN HA . 36107 1 224 . 1 . 1 21 21 ASN HB2 H 1 3.025 0.005 . 2 . . 169 . A 21 ASN HB2 . 36107 1 225 . 1 . 1 21 21 ASN HB3 H 1 3.241 0.006 . 2 . . 168 . A 21 ASN HB3 . 36107 1 226 . 1 . 1 21 21 ASN HD21 H 1 7.737 0.001 . 1 . . 28 . A 21 ASN HD21 . 36107 1 227 . 1 . 1 21 21 ASN HD22 H 1 6.879 0.004 . 1 . . 32 . A 21 ASN HD22 . 36107 1 228 . 1 . 1 21 21 ASN CB C 13 39.406 0.021 . 1 . . 186 . A 21 ASN CB . 36107 1 229 . 1 . 1 21 21 ASN N N 15 122.591 . . 1 . . 57 . A 21 ASN N . 36107 1 230 . 1 . 1 21 21 ASN ND2 N 15 110.836 0.001 . 1 . . 29 . A 21 ASN ND2 . 36107 1 stop_ save_