################################### # 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 30259 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 30259 1 2 '2D 1H-1H NOESY' . . . 30259 1 3 '2D 1H-13C HSQC' . . . 30259 1 4 '2D 1H-15N HSQC' . . . 30259 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 GLY HA2 H 1 3.958 0.001 . . . . . . A 1 GLY HA2 . 30259 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.958 0.001 . . . . . . A 1 GLY HA3 . 30259 1 3 . 1 . 1 1 1 GLY CA C 13 43.427 0.000 . . . . . . A 1 GLY CA . 30259 1 4 . 1 . 1 2 2 PHE H H 1 8.603 0.001 . . . . . . A 2 PHE H . 30259 1 5 . 1 . 1 2 2 PHE HA H 1 4.989 0.003 . . . . . . A 2 PHE HA . 30259 1 6 . 1 . 1 2 2 PHE HB2 H 1 3.254 0.008 . . . . . . A 2 PHE HB2 . 30259 1 7 . 1 . 1 2 2 PHE HB3 H 1 3.254 0.008 . . . . . . A 2 PHE HB3 . 30259 1 8 . 1 . 1 2 2 PHE HD1 H 1 7.356 0.003 . . . . . . A 2 PHE HD1 . 30259 1 9 . 1 . 1 2 2 PHE HD2 H 1 7.356 0.003 . . . . . . A 2 PHE HD2 . 30259 1 10 . 1 . 1 2 2 PHE HE1 H 1 7.237 0.000 . . . . . . A 2 PHE HE1 . 30259 1 11 . 1 . 1 2 2 PHE HE2 H 1 7.237 0.000 . . . . . . A 2 PHE HE2 . 30259 1 12 . 1 . 1 2 2 PHE HZ H 1 7.211 0.000 . . . . . . A 2 PHE HZ . 30259 1 13 . 1 . 1 2 2 PHE CA C 13 57.266 0.000 . . . . . . A 2 PHE CA . 30259 1 14 . 1 . 1 2 2 PHE CB C 13 40.978 0.000 . . . . . . A 2 PHE CB . 30259 1 15 . 1 . 1 2 2 PHE N N 15 120.594 0.000 . . . . . . A 2 PHE N . 30259 1 16 . 1 . 1 3 3 CYS H H 1 8.193 0.002 . . . . . . A 3 CYS H . 30259 1 17 . 1 . 1 3 3 CYS HA H 1 5.569 0.000 . . . . . . A 3 CYS HA . 30259 1 18 . 1 . 1 3 3 CYS HB2 H 1 2.854 0.003 . . . . . . A 3 CYS HB2 . 30259 1 19 . 1 . 1 3 3 CYS HB3 H 1 2.500 0.005 . . . . . . A 3 CYS HB3 . 30259 1 20 . 1 . 1 3 3 CYS CA C 13 55.813 0.000 . . . . . . A 3 CYS CA . 30259 1 21 . 1 . 1 3 3 CYS CB C 13 48.274 0.009 . . . . . . A 3 CYS CB . 30259 1 22 . 1 . 1 3 3 CYS N N 15 119.001 0.000 . . . . . . A 3 CYS N . 30259 1 23 . 1 . 1 4 4 TRP H H 1 9.244 0.001 . . . . . . A 4 TRP H . 30259 1 24 . 1 . 1 4 4 TRP HA H 1 4.862 0.000 . . . . . . A 4 TRP HA . 30259 1 25 . 1 . 1 4 4 TRP HB2 H 1 3.326 0.008 . . . . . . A 4 TRP HB2 . 30259 1 26 . 1 . 1 4 4 TRP HB3 H 1 3.326 0.008 . . . . . . A 4 TRP HB3 . 30259 1 27 . 1 . 1 4 4 TRP HD1 H 1 6.961 0.001 . . . . . . A 4 TRP HD1 . 30259 1 28 . 1 . 1 4 4 TRP HE1 H 1 9.978 0.001 . . . . . . A 4 TRP HE1 . 30259 1 29 . 1 . 1 4 4 TRP HE3 H 1 7.113 0.000 . . . . . . A 4 TRP HE3 . 30259 1 30 . 1 . 1 4 4 TRP HZ2 H 1 7.289 0.000 . . . . . . A 4 TRP HZ2 . 30259 1 31 . 1 . 1 4 4 TRP HZ3 H 1 6.818 0.003 . . . . . . A 4 TRP HZ3 . 30259 1 32 . 1 . 1 4 4 TRP HH2 H 1 6.968 0.005 . . . . . . A 4 TRP HH2 . 30259 1 33 . 1 . 1 4 4 TRP CB C 13 31.796 0.000 . . . . . . A 4 TRP CB . 30259 1 34 . 1 . 1 4 4 TRP N N 15 122.854 0.000 . . . . . . A 4 TRP N . 30259 1 35 . 1 . 1 4 4 TRP NE1 N 15 128.687 0.000 . . . . . . A 4 TRP NE1 . 30259 1 36 . 1 . 1 5 5 TYR H H 1 8.695 0.004 . . . . . . A 5 TYR H . 30259 1 37 . 1 . 1 5 5 TYR HA H 1 5.144 0.011 . . . . . . A 5 TYR HA . 30259 1 38 . 1 . 1 5 5 TYR HB2 H 1 2.710 0.007 . . . . . . A 5 TYR HB2 . 30259 1 39 . 1 . 1 5 5 TYR HB3 H 1 2.844 0.002 . . . . . . A 5 TYR HB3 . 30259 1 40 . 1 . 1 5 5 TYR HD1 H 1 6.881 0.002 . . . . . . A 5 TYR HD1 . 30259 1 41 . 1 . 1 5 5 TYR HD2 H 1 6.881 0.002 . . . . . . A 5 TYR HD2 . 30259 1 42 . 1 . 1 5 5 TYR HE1 H 1 6.757 0.007 . . . . . . A 5 TYR HE1 . 30259 1 43 . 1 . 1 5 5 TYR HE2 H 1 6.757 0.007 . . . . . . A 5 TYR HE2 . 30259 1 44 . 1 . 1 5 5 TYR CA C 13 57.688 0.000 . . . . . . A 5 TYR CA . 30259 1 45 . 1 . 1 6 6 VAL H H 1 8.921 0.001 . . . . . . A 6 VAL H . 30259 1 46 . 1 . 1 6 6 VAL HA H 1 4.359 0.004 . . . . . . A 6 VAL HA . 30259 1 47 . 1 . 1 6 6 VAL HB H 1 1.663 0.004 . . . . . . A 6 VAL HB . 30259 1 48 . 1 . 1 6 6 VAL HG11 H 1 0.938 0.003 . . . . . . A 6 VAL HG11 . 30259 1 49 . 1 . 1 6 6 VAL HG12 H 1 0.938 0.003 . . . . . . A 6 VAL HG12 . 30259 1 50 . 1 . 1 6 6 VAL HG13 H 1 0.938 0.003 . . . . . . A 6 VAL HG13 . 30259 1 51 . 1 . 1 6 6 VAL HG21 H 1 0.938 0.003 . . . . . . A 6 VAL HG21 . 30259 1 52 . 1 . 1 6 6 VAL HG22 H 1 0.938 0.003 . . . . . . A 6 VAL HG22 . 30259 1 53 . 1 . 1 6 6 VAL HG23 H 1 0.938 0.003 . . . . . . A 6 VAL HG23 . 30259 1 54 . 1 . 1 6 6 VAL CA C 13 60.896 0.000 . . . . . . A 6 VAL CA . 30259 1 55 . 1 . 1 6 6 VAL CB C 13 33.823 0.000 . . . . . . A 6 VAL CB . 30259 1 56 . 1 . 1 6 6 VAL CG1 C 13 20.989 0.000 . . . . . . A 6 VAL CG1 . 30259 1 57 . 1 . 1 6 6 VAL CG2 C 13 20.989 0.000 . . . . . . A 6 VAL CG2 . 30259 1 58 . 1 . 1 6 6 VAL N N 15 123.942 0.000 . . . . . . A 6 VAL N . 30259 1 59 . 1 . 1 7 7 CYS H H 1 8.770 0.002 . . . . . . A 7 CYS H . 30259 1 60 . 1 . 1 7 7 CYS HA H 1 5.766 0.003 . . . . . . A 7 CYS HA . 30259 1 61 . 1 . 1 7 7 CYS HB2 H 1 3.002 0.001 . . . . . . A 7 CYS HB2 . 30259 1 62 . 1 . 1 7 7 CYS HB3 H 1 2.439 0.004 . . . . . . A 7 CYS HB3 . 30259 1 63 . 1 . 1 7 7 CYS CA C 13 55.136 0.000 . . . . . . A 7 CYS CA . 30259 1 64 . 1 . 1 7 7 CYS CB C 13 47.526 0.004 . . . . . . A 7 CYS CB . 30259 1 65 . 1 . 1 7 7 CYS N N 15 119.001 0.000 . . . . . . A 7 CYS N . 30259 1 66 . 1 . 1 8 8 VAL H H 1 9.169 0.002 . . . . . . A 8 VAL H . 30259 1 67 . 1 . 1 8 8 VAL HA H 1 4.643 0.004 . . . . . . A 8 VAL HA . 30259 1 68 . 1 . 1 8 8 VAL HB H 1 2.274 0.002 . . . . . . A 8 VAL HB . 30259 1 69 . 1 . 1 8 8 VAL HG11 H 1 1.014 0.002 . . . . . . A 8 VAL HG11 . 30259 1 70 . 1 . 1 8 8 VAL HG12 H 1 1.014 0.002 . . . . . . A 8 VAL HG12 . 30259 1 71 . 1 . 1 8 8 VAL HG13 H 1 1.014 0.002 . . . . . . A 8 VAL HG13 . 30259 1 72 . 1 . 1 8 8 VAL HG21 H 1 0.929 0.000 . . . . . . A 8 VAL HG21 . 30259 1 73 . 1 . 1 8 8 VAL HG22 H 1 0.929 0.000 . . . . . . A 8 VAL HG22 . 30259 1 74 . 1 . 1 8 8 VAL HG23 H 1 0.929 0.000 . . . . . . A 8 VAL HG23 . 30259 1 75 . 1 . 1 8 8 VAL CA C 13 59.381 0.000 . . . . . . A 8 VAL CA . 30259 1 76 . 1 . 1 8 8 VAL CB C 13 35.795 0.000 . . . . . . A 8 VAL CB . 30259 1 77 . 1 . 1 8 8 VAL CG1 C 13 21.422 0.000 . . . . . . A 8 VAL CG1 . 30259 1 78 . 1 . 1 8 8 VAL N N 15 119.470 0.000 . . . . . . A 8 VAL N . 30259 1 79 . 1 . 1 9 9 TYR H H 1 8.692 0.003 . . . . . . A 9 TYR H . 30259 1 80 . 1 . 1 9 9 TYR HA H 1 5.105 0.014 . . . . . . A 9 TYR HA . 30259 1 81 . 1 . 1 9 9 TYR HB2 H 1 2.842 0.003 . . . . . . A 9 TYR HB2 . 30259 1 82 . 1 . 1 9 9 TYR HB3 H 1 2.721 0.006 . . . . . . A 9 TYR HB3 . 30259 1 83 . 1 . 1 9 9 TYR HD1 H 1 6.897 0.001 . . . . . . A 9 TYR HD1 . 30259 1 84 . 1 . 1 9 9 TYR HD2 H 1 6.897 0.001 . . . . . . A 9 TYR HD2 . 30259 1 85 . 1 . 1 9 9 TYR HE1 H 1 6.776 0.006 . . . . . . A 9 TYR HE1 . 30259 1 86 . 1 . 1 9 9 TYR HE2 H 1 6.776 0.006 . . . . . . A 9 TYR HE2 . 30259 1 87 . 1 . 1 9 9 TYR CA C 13 57.563 0.000 . . . . . . A 9 TYR CA . 30259 1 88 . 1 . 1 10 10 ARG H H 1 9.085 0.002 . . . . . . A 10 ARG H . 30259 1 89 . 1 . 1 10 10 ARG HA H 1 4.634 0.004 . . . . . . A 10 ARG HA . 30259 1 90 . 1 . 1 10 10 ARG HB2 H 1 1.778 0.002 . . . . . . A 10 ARG HB2 . 30259 1 91 . 1 . 1 10 10 ARG HB3 H 1 1.646 0.010 . . . . . . A 10 ARG HB3 . 30259 1 92 . 1 . 1 10 10 ARG HG2 H 1 1.536 0.004 . . . . . . A 10 ARG HG2 . 30259 1 93 . 1 . 1 10 10 ARG HG3 H 1 1.536 0.004 . . . . . . A 10 ARG HG3 . 30259 1 94 . 1 . 1 10 10 ARG HD2 H 1 3.234 0.003 . . . . . . A 10 ARG HD2 . 30259 1 95 . 1 . 1 10 10 ARG HD3 H 1 3.204 0.001 . . . . . . A 10 ARG HD3 . 30259 1 96 . 1 . 1 10 10 ARG HE H 1 7.222 0.001 . . . . . . A 10 ARG HE . 30259 1 97 . 1 . 1 10 10 ARG CA C 13 54.850 0.000 . . . . . . A 10 ARG CA . 30259 1 98 . 1 . 1 10 10 ARG CB C 13 32.286 0.007 . . . . . . A 10 ARG CB . 30259 1 99 . 1 . 1 10 10 ARG CG C 13 26.929 0.007 . . . . . . A 10 ARG CG . 30259 1 100 . 1 . 1 10 10 ARG CD C 13 43.492 0.001 . . . . . . A 10 ARG CD . 30259 1 101 . 1 . 1 10 10 ARG N N 15 124.480 0.000 . . . . . . A 10 ARG N . 30259 1 102 . 1 . 1 10 10 ARG NE N 15 124.810 0.000 . . . . . . A 10 ARG NE . 30259 1 103 . 1 . 1 11 11 ASN H H 1 9.640 0.002 . . . . . . A 11 ASN H . 30259 1 104 . 1 . 1 11 11 ASN HA H 1 4.402 0.004 . . . . . . A 11 ASN HA . 30259 1 105 . 1 . 1 11 11 ASN HB2 H 1 2.803 0.003 . . . . . . A 11 ASN HB2 . 30259 1 106 . 1 . 1 11 11 ASN HB3 H 1 3.101 0.002 . . . . . . A 11 ASN HB3 . 30259 1 107 . 1 . 1 11 11 ASN HD21 H 1 7.637 0.002 . . . . . . A 11 ASN HD21 . 30259 1 108 . 1 . 1 11 11 ASN HD22 H 1 6.948 0.005 . . . . . . A 11 ASN HD22 . 30259 1 109 . 1 . 1 11 11 ASN CA C 13 54.314 0.000 . . . . . . A 11 ASN CA . 30259 1 110 . 1 . 1 11 11 ASN CB C 13 37.550 0.003 . . . . . . A 11 ASN CB . 30259 1 111 . 1 . 1 11 11 ASN N N 15 125.632 0.000 . . . . . . A 11 ASN N . 30259 1 112 . 1 . 1 11 11 ASN ND2 N 15 112.770 0.011 . . . . . . A 11 ASN ND2 . 30259 1 113 . 1 . 1 12 12 GLY H H 1 8.584 0.002 . . . . . . A 12 GLY H . 30259 1 114 . 1 . 1 12 12 GLY HA2 H 1 3.678 0.002 . . . . . . A 12 GLY HA2 . 30259 1 115 . 1 . 1 12 12 GLY HA3 H 1 4.251 0.003 . . . . . . A 12 GLY HA3 . 30259 1 116 . 1 . 1 12 12 GLY CA C 13 45.333 0.004 . . . . . . A 12 GLY CA . 30259 1 117 . 1 . 1 12 12 GLY N N 15 102.628 0.000 . . . . . . A 12 GLY N . 30259 1 118 . 1 . 1 13 13 VAL H H 1 7.720 0.001 . . . . . . A 13 VAL H . 30259 1 119 . 1 . 1 13 13 VAL HA H 1 4.375 0.006 . . . . . . A 13 VAL HA . 30259 1 120 . 1 . 1 13 13 VAL HB H 1 2.109 0.001 . . . . . . A 13 VAL HB . 30259 1 121 . 1 . 1 13 13 VAL HG11 H 1 0.948 0.009 . . . . . . A 13 VAL HG11 . 30259 1 122 . 1 . 1 13 13 VAL HG12 H 1 0.948 0.009 . . . . . . A 13 VAL HG12 . 30259 1 123 . 1 . 1 13 13 VAL HG13 H 1 0.948 0.009 . . . . . . A 13 VAL HG13 . 30259 1 124 . 1 . 1 13 13 VAL HG21 H 1 0.948 0.009 . . . . . . A 13 VAL HG21 . 30259 1 125 . 1 . 1 13 13 VAL HG22 H 1 0.948 0.009 . . . . . . A 13 VAL HG22 . 30259 1 126 . 1 . 1 13 13 VAL HG23 H 1 0.948 0.009 . . . . . . A 13 VAL HG23 . 30259 1 127 . 1 . 1 13 13 VAL CA C 13 61.092 0.000 . . . . . . A 13 VAL CA . 30259 1 128 . 1 . 1 13 13 VAL CB C 13 34.551 0.000 . . . . . . A 13 VAL CB . 30259 1 129 . 1 . 1 13 13 VAL CG1 C 13 18.877 0.000 . . . . . . A 13 VAL CG1 . 30259 1 130 . 1 . 1 13 13 VAL CG2 C 13 18.877 0.000 . . . . . . A 13 VAL CG2 . 30259 1 131 . 1 . 1 13 13 VAL N N 15 120.364 0.000 . . . . . . A 13 VAL N . 30259 1 132 . 1 . 1 14 14 ARG H H 1 8.629 0.004 . . . . . . A 14 ARG H . 30259 1 133 . 1 . 1 14 14 ARG HA H 1 4.147 0.001 . . . . . . A 14 ARG HA . 30259 1 134 . 1 . 1 14 14 ARG HB2 H 1 1.691 0.000 . . . . . . A 14 ARG HB2 . 30259 1 135 . 1 . 1 14 14 ARG HB3 H 1 1.309 0.002 . . . . . . A 14 ARG HB3 . 30259 1 136 . 1 . 1 14 14 ARG HG2 H 1 1.222 0.001 . . . . . . A 14 ARG HG2 . 30259 1 137 . 1 . 1 14 14 ARG HG3 H 1 0.916 0.005 . . . . . . A 14 ARG HG3 . 30259 1 138 . 1 . 1 14 14 ARG HD2 H 1 3.031 0.003 . . . . . . A 14 ARG HD2 . 30259 1 139 . 1 . 1 14 14 ARG HD3 H 1 3.031 0.003 . . . . . . A 14 ARG HD3 . 30259 1 140 . 1 . 1 14 14 ARG HE H 1 7.092 0.002 . . . . . . A 14 ARG HE . 30259 1 141 . 1 . 1 14 14 ARG CA C 13 55.299 0.000 . . . . . . A 14 ARG CA . 30259 1 142 . 1 . 1 14 14 ARG CB C 13 30.678 0.009 . . . . . . A 14 ARG CB . 30259 1 143 . 1 . 1 14 14 ARG CG C 13 27.816 0.000 . . . . . . A 14 ARG CG . 30259 1 144 . 1 . 1 14 14 ARG CD C 13 43.570 0.000 . . . . . . A 14 ARG CD . 30259 1 145 . 1 . 1 14 14 ARG N N 15 127.525 0.000 . . . . . . A 14 ARG N . 30259 1 146 . 1 . 1 14 14 ARG NE N 15 124.662 0.000 . . . . . . A 14 ARG NE . 30259 1 147 . 1 . 1 15 15 VAL H H 1 9.163 0.000 . . . . . . A 15 VAL H . 30259 1 148 . 1 . 1 15 15 VAL HA H 1 4.243 0.002 . . . . . . A 15 VAL HA . 30259 1 149 . 1 . 1 15 15 VAL HB H 1 1.907 0.008 . . . . . . A 15 VAL HB . 30259 1 150 . 1 . 1 15 15 VAL HG11 H 1 0.811 0.002 . . . . . . A 15 VAL HG11 . 30259 1 151 . 1 . 1 15 15 VAL HG12 H 1 0.811 0.002 . . . . . . A 15 VAL HG12 . 30259 1 152 . 1 . 1 15 15 VAL HG13 H 1 0.811 0.002 . . . . . . A 15 VAL HG13 . 30259 1 153 . 1 . 1 15 15 VAL HG21 H 1 0.915 0.008 . . . . . . A 15 VAL HG21 . 30259 1 154 . 1 . 1 15 15 VAL HG22 H 1 0.915 0.008 . . . . . . A 15 VAL HG22 . 30259 1 155 . 1 . 1 15 15 VAL HG23 H 1 0.915 0.008 . . . . . . A 15 VAL HG23 . 30259 1 156 . 1 . 1 15 15 VAL CA C 13 61.491 0.000 . . . . . . A 15 VAL CA . 30259 1 157 . 1 . 1 15 15 VAL CB C 13 34.320 0.000 . . . . . . A 15 VAL CB . 30259 1 158 . 1 . 1 15 15 VAL CG1 C 13 20.770 0.000 . . . . . . A 15 VAL CG1 . 30259 1 159 . 1 . 1 15 15 VAL CG2 C 13 20.684 0.000 . . . . . . A 15 VAL CG2 . 30259 1 160 . 1 . 1 15 15 VAL N N 15 129.721 0.000 . . . . . . A 15 VAL N . 30259 1 161 . 1 . 1 16 16 CYS H H 1 8.591 0.001 . . . . . . A 16 CYS H . 30259 1 162 . 1 . 1 16 16 CYS HA H 1 5.791 0.004 . . . . . . A 16 CYS HA . 30259 1 163 . 1 . 1 16 16 CYS HB2 H 1 2.981 0.003 . . . . . . A 16 CYS HB2 . 30259 1 164 . 1 . 1 16 16 CYS HB3 H 1 2.602 0.004 . . . . . . A 16 CYS HB3 . 30259 1 165 . 1 . 1 16 16 CYS CA C 13 54.880 0.000 . . . . . . A 16 CYS CA . 30259 1 166 . 1 . 1 16 16 CYS CB C 13 48.492 0.010 . . . . . . A 16 CYS CB . 30259 1 167 . 1 . 1 16 16 CYS N N 15 122.934 0.000 . . . . . . A 16 CYS N . 30259 1 168 . 1 . 1 17 17 TYR H H 1 9.157 0.002 . . . . . . A 17 TYR H . 30259 1 169 . 1 . 1 17 17 TYR HA H 1 4.886 0.006 . . . . . . A 17 TYR HA . 30259 1 170 . 1 . 1 17 17 TYR HB2 H 1 2.906 0.004 . . . . . . A 17 TYR HB2 . 30259 1 171 . 1 . 1 17 17 TYR HB3 H 1 3.003 0.004 . . . . . . A 17 TYR HB3 . 30259 1 172 . 1 . 1 17 17 TYR HD1 H 1 6.972 0.001 . . . . . . A 17 TYR HD1 . 30259 1 173 . 1 . 1 17 17 TYR HD2 H 1 6.972 0.001 . . . . . . A 17 TYR HD2 . 30259 1 174 . 1 . 1 17 17 TYR HE1 H 1 6.650 0.002 . . . . . . A 17 TYR HE1 . 30259 1 175 . 1 . 1 17 17 TYR HE2 H 1 6.650 0.002 . . . . . . A 17 TYR HE2 . 30259 1 176 . 1 . 1 17 17 TYR N N 15 121.351 0.000 . . . . . . A 17 TYR N . 30259 1 177 . 1 . 1 18 18 ARG H H 1 8.707 0.002 . . . . . . A 18 ARG H . 30259 1 178 . 1 . 1 18 18 ARG HA H 1 4.200 0.000 . . . . . . A 18 ARG HA . 30259 1 179 . 1 . 1 18 18 ARG HB2 H 1 1.357 0.002 . . . . . . A 18 ARG HB2 . 30259 1 180 . 1 . 1 18 18 ARG HB3 H 1 1.633 0.003 . . . . . . A 18 ARG HB3 . 30259 1 181 . 1 . 1 18 18 ARG HG2 H 1 0.877 0.000 . . . . . . A 18 ARG HG2 . 30259 1 182 . 1 . 1 18 18 ARG HG3 H 1 1.126 0.004 . . . . . . A 18 ARG HG3 . 30259 1 183 . 1 . 1 18 18 ARG HD2 H 1 2.949 0.004 . . . . . . A 18 ARG HD2 . 30259 1 184 . 1 . 1 18 18 ARG HD3 H 1 2.949 0.004 . . . . . . A 18 ARG HD3 . 30259 1 185 . 1 . 1 18 18 ARG HE H 1 6.977 0.008 . . . . . . A 18 ARG HE . 30259 1 186 . 1 . 1 18 18 ARG CA C 13 55.299 0.000 . . . . . . A 18 ARG CA . 30259 1 187 . 1 . 1 18 18 ARG CB C 13 31.764 0.040 . . . . . . A 18 ARG CB . 30259 1 188 . 1 . 1 18 18 ARG CG C 13 27.788 0.028 . . . . . . A 18 ARG CG . 30259 1 189 . 1 . 1 18 18 ARG CD C 13 43.547 0.000 . . . . . . A 18 ARG CD . 30259 1 190 . 1 . 1 18 18 ARG N N 15 123.264 0.000 . . . . . . A 18 ARG N . 30259 1 191 . 1 . 1 19 19 ARG H H 1 8.669 0.004 . . . . . . A 19 ARG H . 30259 1 192 . 1 . 1 19 19 ARG HA H 1 4.287 0.003 . . . . . . A 19 ARG HA . 30259 1 193 . 1 . 1 19 19 ARG HB2 H 1 0.936 0.002 . . . . . . A 19 ARG HB2 . 30259 1 194 . 1 . 1 19 19 ARG HB3 H 1 0.552 0.001 . . . . . . A 19 ARG HB3 . 30259 1 195 . 1 . 1 19 19 ARG HG2 H 1 1.343 0.002 . . . . . . A 19 ARG HG2 . 30259 1 196 . 1 . 1 19 19 ARG HG3 H 1 1.209 0.002 . . . . . . A 19 ARG HG3 . 30259 1 197 . 1 . 1 19 19 ARG HD2 H 1 3.126 0.005 . . . . . . A 19 ARG HD2 . 30259 1 198 . 1 . 1 19 19 ARG HD3 H 1 3.126 0.005 . . . . . . A 19 ARG HD3 . 30259 1 199 . 1 . 1 19 19 ARG HE H 1 7.138 0.001 . . . . . . A 19 ARG HE . 30259 1 200 . 1 . 1 19 19 ARG CA C 13 54.084 0.000 . . . . . . A 19 ARG CA . 30259 1 201 . 1 . 1 19 19 ARG CB C 13 32.596 0.006 . . . . . . A 19 ARG CB . 30259 1 202 . 1 . 1 19 19 ARG CG C 13 26.707 0.003 . . . . . . A 19 ARG CG . 30259 1 203 . 1 . 1 19 19 ARG CD C 13 43.207 0.000 . . . . . . A 19 ARG CD . 30259 1 204 . 1 . 1 19 19 ARG N N 15 128.633 0.000 . . . . . . A 19 ARG N . 30259 1 205 . 1 . 1 19 19 ARG NE N 15 124.936 0.000 . . . . . . A 19 ARG NE . 30259 1 206 . 1 . 1 20 20 CYS H H 1 8.086 0.003 . . . . . . A 20 CYS H . 30259 1 207 . 1 . 1 20 20 CYS HA H 1 5.233 0.006 . . . . . . A 20 CYS HA . 30259 1 208 . 1 . 1 20 20 CYS HB2 H 1 2.819 0.002 . . . . . . A 20 CYS HB2 . 30259 1 209 . 1 . 1 20 20 CYS HB3 H 1 2.969 0.005 . . . . . . A 20 CYS HB3 . 30259 1 210 . 1 . 1 20 20 CYS CA C 13 55.070 0.000 . . . . . . A 20 CYS CA . 30259 1 211 . 1 . 1 20 20 CYS CB C 13 48.781 0.000 . . . . . . A 20 CYS CB . 30259 1 212 . 1 . 1 20 20 CYS N N 15 116.844 0.000 . . . . . . A 20 CYS N . 30259 1 213 . 1 . 1 21 21 ASN H H 1 8.753 0.002 . . . . . . A 21 ASN H . 30259 1 214 . 1 . 1 21 21 ASN HA H 1 4.905 0.012 . . . . . . A 21 ASN HA . 30259 1 215 . 1 . 1 21 21 ASN HB2 H 1 2.972 0.003 . . . . . . A 21 ASN HB2 . 30259 1 216 . 1 . 1 21 21 ASN HB3 H 1 3.282 0.005 . . . . . . A 21 ASN HB3 . 30259 1 217 . 1 . 1 21 21 ASN HD21 H 1 6.656 0.001 . . . . . . A 21 ASN HD21 . 30259 1 218 . 1 . 1 21 21 ASN HD22 H 1 7.715 0.001 . . . . . . A 21 ASN HD22 . 30259 1 219 . 1 . 1 21 21 ASN CA C 13 51.856 0.000 . . . . . . A 21 ASN CA . 30259 1 220 . 1 . 1 21 21 ASN CB C 13 39.300 0.001 . . . . . . A 21 ASN CB . 30259 1 221 . 1 . 1 21 21 ASN N N 15 121.545 0.000 . . . . . . A 21 ASN N . 30259 1 222 . 1 . 1 21 21 ASN ND2 N 15 110.791 0.003 . . . . . . A 21 ASN ND2 . 30259 1 stop_ save_