################################### # 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 30260 _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-15N HSQC' . . . 30260 1 2 '2D 1H-13C HSQC' . . . 30260 1 3 '2D 1H-1H TOCSY' . . . 30260 1 4 '2D 1H-1H NOESY' . . . 30260 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 3.954 0.008 . . . . . . A 1 GLY HA2 . 30260 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.954 0.008 . . . . . . A 1 GLY HA3 . 30260 1 3 . 1 . 1 1 1 GLY CA C 13 43.536 0.000 . . . . . . A 1 GLY CA . 30260 1 4 . 1 . 1 2 2 PHE H H 1 8.791 0.004 . . . . . . A 2 PHE H . 30260 1 5 . 1 . 1 2 2 PHE HA H 1 4.944 0.010 . . . . . . A 2 PHE HA . 30260 1 6 . 1 . 1 2 2 PHE HB2 H 1 3.230 0.004 . . . . . . A 2 PHE HB2 . 30260 1 7 . 1 . 1 2 2 PHE HB3 H 1 3.230 0.004 . . . . . . A 2 PHE HB3 . 30260 1 8 . 1 . 1 2 2 PHE HD1 H 1 7.335 0.004 . . . . . . A 2 PHE HD1 . 30260 1 9 . 1 . 1 2 2 PHE HD2 H 1 7.335 0.004 . . . . . . A 2 PHE HD2 . 30260 1 10 . 1 . 1 2 2 PHE HE1 H 1 7.260 0.007 . . . . . . A 2 PHE HE1 . 30260 1 11 . 1 . 1 2 2 PHE HE2 H 1 7.260 0.007 . . . . . . A 2 PHE HE2 . 30260 1 12 . 1 . 1 2 2 PHE HZ H 1 7.222 0.004 . . . . . . A 2 PHE HZ . 30260 1 13 . 1 . 1 2 2 PHE CA C 13 55.967 0.000 . . . . . . A 2 PHE CA . 30260 1 14 . 1 . 1 2 2 PHE CB C 13 40.894 0.000 . . . . . . A 2 PHE CB . 30260 1 15 . 1 . 1 2 2 PHE CD1 C 13 132.247 0.000 . . . . . . A 2 PHE CD1 . 30260 1 16 . 1 . 1 2 2 PHE CE1 C 13 131.553 0.000 . . . . . . A 2 PHE CE1 . 30260 1 17 . 1 . 1 2 2 PHE CZ C 13 129.795 0.000 . . . . . . A 2 PHE CZ . 30260 1 18 . 1 . 1 2 2 PHE N N 15 121.251 0.000 . . . . . . A 2 PHE N . 30260 1 19 . 1 . 1 3 3 CYS H H 1 8.192 0.003 . . . . . . A 3 CYS H . 30260 1 20 . 1 . 1 3 3 CYS HA H 1 5.600 0.003 . . . . . . A 3 CYS HA . 30260 1 21 . 1 . 1 3 3 CYS HB2 H 1 2.863 0.001 . . . . . . A 3 CYS HB2 . 30260 1 22 . 1 . 1 3 3 CYS HB3 H 1 2.492 0.004 . . . . . . A 3 CYS HB3 . 30260 1 23 . 1 . 1 3 3 CYS CA C 13 55.824 0.000 . . . . . . A 3 CYS CA . 30260 1 24 . 1 . 1 3 3 CYS CB C 13 48.185 0.000 . . . . . . A 3 CYS CB . 30260 1 25 . 1 . 1 3 3 CYS N N 15 119.279 0.000 . . . . . . A 3 CYS N . 30260 1 26 . 1 . 1 4 4 TRP H H 1 9.251 0.001 . . . . . . A 4 TRP H . 30260 1 27 . 1 . 1 4 4 TRP HA H 1 4.850 0.009 . . . . . . A 4 TRP HA . 30260 1 28 . 1 . 1 4 4 TRP HB2 H 1 3.305 0.002 . . . . . . A 4 TRP HB2 . 30260 1 29 . 1 . 1 4 4 TRP HB3 H 1 3.305 0.002 . . . . . . A 4 TRP HB3 . 30260 1 30 . 1 . 1 4 4 TRP HD1 H 1 6.983 0.008 . . . . . . A 4 TRP HD1 . 30260 1 31 . 1 . 1 4 4 TRP HE1 H 1 9.984 0.004 . . . . . . A 4 TRP HE1 . 30260 1 32 . 1 . 1 4 4 TRP HE3 H 1 7.159 0.004 . . . . . . A 4 TRP HE3 . 30260 1 33 . 1 . 1 4 4 TRP HZ2 H 1 7.279 0.006 . . . . . . A 4 TRP HZ2 . 30260 1 34 . 1 . 1 4 4 TRP HZ3 H 1 6.893 0.010 . . . . . . A 4 TRP HZ3 . 30260 1 35 . 1 . 1 4 4 TRP HH2 H 1 6.999 0.007 . . . . . . A 4 TRP HH2 . 30260 1 36 . 1 . 1 4 4 TRP CB C 13 31.884 0.000 . . . . . . A 4 TRP CB . 30260 1 37 . 1 . 1 4 4 TRP CD1 C 13 127.338 0.000 . . . . . . A 4 TRP CD1 . 30260 1 38 . 1 . 1 4 4 TRP CE3 C 13 122.807 0.000 . . . . . . A 4 TRP CE3 . 30260 1 39 . 1 . 1 4 4 TRP CZ2 C 13 113.913 0.000 . . . . . . A 4 TRP CZ2 . 30260 1 40 . 1 . 1 4 4 TRP CZ3 C 13 121.827 0.000 . . . . . . A 4 TRP CZ3 . 30260 1 41 . 1 . 1 4 4 TRP CH2 C 13 123.857 0.000 . . . . . . A 4 TRP CH2 . 30260 1 42 . 1 . 1 4 4 TRP N N 15 122.880 0.000 . . . . . . A 4 TRP N . 30260 1 43 . 1 . 1 4 4 TRP NE1 N 15 128.711 0.000 . . . . . . A 4 TRP NE1 . 30260 1 44 . 1 . 1 5 5 TYR H H 1 8.699 0.010 . . . . . . A 5 TYR H . 30260 1 45 . 1 . 1 5 5 TYR HA H 1 5.087 0.009 . . . . . . A 5 TYR HA . 30260 1 46 . 1 . 1 5 5 TYR HB2 H 1 2.940 0.006 . . . . . . A 5 TYR HB2 . 30260 1 47 . 1 . 1 5 5 TYR HB3 H 1 2.940 0.006 . . . . . . A 5 TYR HB3 . 30260 1 48 . 1 . 1 5 5 TYR HD1 H 1 6.911 0.007 . . . . . . A 5 TYR HD1 . 30260 1 49 . 1 . 1 5 5 TYR HD2 H 1 6.911 0.007 . . . . . . A 5 TYR HD2 . 30260 1 50 . 1 . 1 5 5 TYR HE1 H 1 6.759 0.002 . . . . . . A 5 TYR HE1 . 30260 1 51 . 1 . 1 5 5 TYR HE2 H 1 6.759 0.002 . . . . . . A 5 TYR HE2 . 30260 1 52 . 1 . 1 5 5 TYR CA C 13 57.572 0.000 . . . . . . A 5 TYR CA . 30260 1 53 . 1 . 1 5 5 TYR CB C 13 43.563 0.000 . . . . . . A 5 TYR CB . 30260 1 54 . 1 . 1 5 5 TYR CD2 C 13 132.662 0.000 . . . . . . A 5 TYR CD2 . 30260 1 55 . 1 . 1 5 5 TYR CE1 C 13 118.009 0.000 . . . . . . A 5 TYR CE1 . 30260 1 56 . 1 . 1 5 5 TYR N N 15 123.119 0.000 . . . . . . A 5 TYR N . 30260 1 57 . 1 . 1 6 6 VAL H H 1 8.871 0.002 . . . . . . A 6 VAL H . 30260 1 58 . 1 . 1 6 6 VAL HA H 1 4.314 0.004 . . . . . . A 6 VAL HA . 30260 1 59 . 1 . 1 6 6 VAL HB H 1 1.550 0.006 . . . . . . A 6 VAL HB . 30260 1 60 . 1 . 1 6 6 VAL HG11 H 1 0.881 0.008 . . . . . . A 6 VAL HG11 . 30260 1 61 . 1 . 1 6 6 VAL HG12 H 1 0.881 0.008 . . . . . . A 6 VAL HG12 . 30260 1 62 . 1 . 1 6 6 VAL HG13 H 1 0.881 0.008 . . . . . . A 6 VAL HG13 . 30260 1 63 . 1 . 1 6 6 VAL HG21 H 1 0.881 0.008 . . . . . . A 6 VAL HG21 . 30260 1 64 . 1 . 1 6 6 VAL HG22 H 1 0.881 0.008 . . . . . . A 6 VAL HG22 . 30260 1 65 . 1 . 1 6 6 VAL HG23 H 1 0.881 0.008 . . . . . . A 6 VAL HG23 . 30260 1 66 . 1 . 1 6 6 VAL CA C 13 61.298 0.000 . . . . . . A 6 VAL CA . 30260 1 67 . 1 . 1 6 6 VAL CG2 C 13 21.002 0.000 . . . . . . A 6 VAL CG2 . 30260 1 68 . 1 . 1 6 6 VAL N N 15 123.971 0.000 . . . . . . A 6 VAL N . 30260 1 69 . 1 . 1 7 7 CYS H H 1 8.836 0.004 . . . . . . A 7 CYS H . 30260 1 70 . 1 . 1 7 7 CYS HA H 1 5.713 0.004 . . . . . . A 7 CYS HA . 30260 1 71 . 1 . 1 7 7 CYS HB2 H 1 3.049 0.004 . . . . . . A 7 CYS HB2 . 30260 1 72 . 1 . 1 7 7 CYS HB3 H 1 2.632 0.003 . . . . . . A 7 CYS HB3 . 30260 1 73 . 1 . 1 7 7 CYS CA C 13 55.228 0.000 . . . . . . A 7 CYS CA . 30260 1 74 . 1 . 1 7 7 CYS CB C 13 48.214 0.068 . . . . . . A 7 CYS CB . 30260 1 75 . 1 . 1 7 7 CYS N N 15 123.681 0.000 . . . . . . A 7 CYS N . 30260 1 76 . 1 . 1 8 8 ALA H H 1 9.107 0.001 . . . . . . A 8 ALA H . 30260 1 77 . 1 . 1 8 8 ALA HA H 1 4.655 0.003 . . . . . . A 8 ALA HA . 30260 1 78 . 1 . 1 8 8 ALA HB1 H 1 1.473 0.003 . . . . . . A 8 ALA HB1 . 30260 1 79 . 1 . 1 8 8 ALA HB2 H 1 1.473 0.003 . . . . . . A 8 ALA HB2 . 30260 1 80 . 1 . 1 8 8 ALA HB3 H 1 1.473 0.003 . . . . . . A 8 ALA HB3 . 30260 1 81 . 1 . 1 8 8 ALA CA C 13 50.973 0.000 . . . . . . A 8 ALA CA . 30260 1 82 . 1 . 1 8 8 ALA CB C 13 22.351 0.000 . . . . . . A 8 ALA CB . 30260 1 83 . 1 . 1 8 8 ALA N N 15 125.824 0.000 . . . . . . A 8 ALA N . 30260 1 84 . 1 . 1 9 9 ARG H H 1 8.616 0.003 . . . . . . A 9 ARG H . 30260 1 85 . 1 . 1 9 9 ARG HA H 1 5.020 0.006 . . . . . . A 9 ARG HA . 30260 1 86 . 1 . 1 9 9 ARG HB2 H 1 1.689 0.004 . . . . . . A 9 ARG HB2 . 30260 1 87 . 1 . 1 9 9 ARG HB3 H 1 1.393 0.001 . . . . . . A 9 ARG HB3 . 30260 1 88 . 1 . 1 9 9 ARG HG2 H 1 1.519 0.003 . . . . . . A 9 ARG HG2 . 30260 1 89 . 1 . 1 9 9 ARG HG3 H 1 1.519 0.003 . . . . . . A 9 ARG HG3 . 30260 1 90 . 1 . 1 9 9 ARG HD2 H 1 3.102 0.003 . . . . . . A 9 ARG HD2 . 30260 1 91 . 1 . 1 9 9 ARG HD3 H 1 3.130 0.000 . . . . . . A 9 ARG HD3 . 30260 1 92 . 1 . 1 9 9 ARG CA C 13 55.167 0.000 . . . . . . A 9 ARG CA . 30260 1 93 . 1 . 1 9 9 ARG CB C 13 27.442 0.013 . . . . . . A 9 ARG CB . 30260 1 94 . 1 . 1 9 9 ARG CG C 13 27.360 0.000 . . . . . . A 9 ARG CG . 30260 1 95 . 1 . 1 9 9 ARG N N 15 120.577 0.000 . . . . . . A 9 ARG N . 30260 1 96 . 1 . 1 10 10 ARG H H 1 8.994 0.005 . . . . . . A 10 ARG H . 30260 1 97 . 1 . 1 10 10 ARG HA H 1 4.585 0.008 . . . . . . A 10 ARG HA . 30260 1 98 . 1 . 1 10 10 ARG HB2 H 1 1.714 0.011 . . . . . . A 10 ARG HB2 . 30260 1 99 . 1 . 1 10 10 ARG HB3 H 1 1.787 0.006 . . . . . . A 10 ARG HB3 . 30260 1 100 . 1 . 1 10 10 ARG HG2 H 1 1.538 0.004 . . . . . . A 10 ARG HG2 . 30260 1 101 . 1 . 1 10 10 ARG HG3 H 1 1.538 0.004 . . . . . . A 10 ARG HG3 . 30260 1 102 . 1 . 1 10 10 ARG HD2 H 1 3.211 0.007 . . . . . . A 10 ARG HD2 . 30260 1 103 . 1 . 1 10 10 ARG HD3 H 1 3.211 0.007 . . . . . . A 10 ARG HD3 . 30260 1 104 . 1 . 1 10 10 ARG CA C 13 55.231 0.000 . . . . . . A 10 ARG CA . 30260 1 105 . 1 . 1 10 10 ARG CB C 13 32.475 0.010 . . . . . . A 10 ARG CB . 30260 1 106 . 1 . 1 10 10 ARG CG C 13 26.81 0.000 . . . . . . A 10 ARG CG . 30260 1 107 . 1 . 1 10 10 ARG CD C 13 43.404 0.000 . . . . . . A 10 ARG CD . 30260 1 108 . 1 . 1 10 10 ARG N N 15 125.299 0.000 . . . . . . A 10 ARG N . 30260 1 109 . 1 . 1 11 11 ASN H H 1 9.579 0.011 . . . . . . A 11 ASN H . 30260 1 110 . 1 . 1 11 11 ASN HA H 1 4.419 0.006 . . . . . . A 11 ASN HA . 30260 1 111 . 1 . 1 11 11 ASN HB2 H 1 3.081 0.006 . . . . . . A 11 ASN HB2 . 30260 1 112 . 1 . 1 11 11 ASN HB3 H 1 2.801 0.004 . . . . . . A 11 ASN HB3 . 30260 1 113 . 1 . 1 11 11 ASN HD21 H 1 7.655 0.005 . . . . . . A 11 ASN HD21 . 30260 1 114 . 1 . 1 11 11 ASN HD22 H 1 6.957 0.007 . . . . . . A 11 ASN HD22 . 30260 1 115 . 1 . 1 11 11 ASN CA C 13 54.235 0.000 . . . . . . A 11 ASN CA . 30260 1 116 . 1 . 1 11 11 ASN CB C 13 37.506 0.002 . . . . . . A 11 ASN CB . 30260 1 117 . 1 . 1 11 11 ASN N N 15 125.259 0.000 . . . . . . A 11 ASN N . 30260 1 118 . 1 . 1 11 11 ASN ND2 N 15 112.678 0.002 . . . . . . A 11 ASN ND2 . 30260 1 119 . 1 . 1 12 12 GLY H H 1 8.659 0.006 . . . . . . A 12 GLY H . 30260 1 120 . 1 . 1 12 12 GLY HA2 H 1 3.613 0.010 . . . . . . A 12 GLY HA2 . 30260 1 121 . 1 . 1 12 12 GLY HA3 H 1 4.205 0.007 . . . . . . A 12 GLY HA3 . 30260 1 122 . 1 . 1 12 12 GLY CA C 13 45.556 0.002 . . . . . . A 12 GLY CA . 30260 1 123 . 1 . 1 12 12 GLY N N 15 104.299 0.000 . . . . . . A 12 GLY N . 30260 1 124 . 1 . 1 13 13 ALA H H 1 7.781 0.002 . . . . . . A 13 ALA H . 30260 1 125 . 1 . 1 13 13 ALA HA H 1 4.680 0.006 . . . . . . A 13 ALA HA . 30260 1 126 . 1 . 1 13 13 ALA HB1 H 1 1.399 0.003 . . . . . . A 13 ALA HB1 . 30260 1 127 . 1 . 1 13 13 ALA HB2 H 1 1.399 0.003 . . . . . . A 13 ALA HB2 . 30260 1 128 . 1 . 1 13 13 ALA HB3 H 1 1.399 0.003 . . . . . . A 13 ALA HB3 . 30260 1 129 . 1 . 1 13 13 ALA CA C 13 50.657 0.000 . . . . . . A 13 ALA CA . 30260 1 130 . 1 . 1 13 13 ALA CB C 13 21.304 0.000 . . . . . . A 13 ALA CB . 30260 1 131 . 1 . 1 13 13 ALA N N 15 123.735 0.000 . . . . . . A 13 ALA N . 30260 1 132 . 1 . 1 14 14 ARG H H 1 8.662 0.003 . . . . . . A 14 ARG H . 30260 1 133 . 1 . 1 14 14 ARG HA H 1 4.639 0.007 . . . . . . A 14 ARG HA . 30260 1 134 . 1 . 1 14 14 ARG HB2 H 1 1.806 0.004 . . . . . . A 14 ARG HB2 . 30260 1 135 . 1 . 1 14 14 ARG HB3 H 1 1.806 0.004 . . . . . . A 14 ARG HB3 . 30260 1 136 . 1 . 1 14 14 ARG HG2 H 1 1.458 0.003 . . . . . . A 14 ARG HG2 . 30260 1 137 . 1 . 1 14 14 ARG HG3 H 1 1.627 0.009 . . . . . . A 14 ARG HG3 . 30260 1 138 . 1 . 1 14 14 ARG HD2 H 1 3.137 0.005 . . . . . . A 14 ARG HD2 . 30260 1 139 . 1 . 1 14 14 ARG HD3 H 1 3.137 0.005 . . . . . . A 14 ARG HD3 . 30260 1 140 . 1 . 1 14 14 ARG CA C 13 56.278 0.000 . . . . . . A 14 ARG CA . 30260 1 141 . 1 . 1 14 14 ARG CB C 13 30.897 0.000 . . . . . . A 14 ARG CB . 30260 1 142 . 1 . 1 14 14 ARG CG C 13 28.095 0.017 . . . . . . A 14 ARG CG . 30260 1 143 . 1 . 1 14 14 ARG CD C 13 43.416 0.000 . . . . . . A 14 ARG CD . 30260 1 144 . 1 . 1 14 14 ARG N N 15 122.343 0.000 . . . . . . A 14 ARG N . 30260 1 145 . 1 . 1 15 15 VAL H H 1 8.929 0.005 . . . . . . A 15 VAL H . 30260 1 146 . 1 . 1 15 15 VAL HA H 1 4.429 0.004 . . . . . . A 15 VAL HA . 30260 1 147 . 1 . 1 15 15 VAL HB H 1 2.010 0.001 . . . . . . A 15 VAL HB . 30260 1 148 . 1 . 1 15 15 VAL HG11 H 1 0.935 0.004 . . . . . . A 15 VAL HG11 . 30260 1 149 . 1 . 1 15 15 VAL HG12 H 1 0.935 0.004 . . . . . . A 15 VAL HG12 . 30260 1 150 . 1 . 1 15 15 VAL HG13 H 1 0.935 0.004 . . . . . . A 15 VAL HG13 . 30260 1 151 . 1 . 1 15 15 VAL HG21 H 1 0.935 0.004 . . . . . . A 15 VAL HG21 . 30260 1 152 . 1 . 1 15 15 VAL HG22 H 1 0.935 0.004 . . . . . . A 15 VAL HG22 . 30260 1 153 . 1 . 1 15 15 VAL HG23 H 1 0.935 0.004 . . . . . . A 15 VAL HG23 . 30260 1 154 . 1 . 1 15 15 VAL CA C 13 61.225 0.000 . . . . . . A 15 VAL CA . 30260 1 155 . 1 . 1 15 15 VAL CB C 13 34.455 0.000 . . . . . . A 15 VAL CB . 30260 1 156 . 1 . 1 15 15 VAL CG1 C 13 20.848 0.000 . . . . . . A 15 VAL CG1 . 30260 1 157 . 1 . 1 15 15 VAL CG2 C 13 20.848 0.000 . . . . . . A 15 VAL CG2 . 30260 1 158 . 1 . 1 15 15 VAL N N 15 127.769 0.000 . . . . . . A 15 VAL N . 30260 1 159 . 1 . 1 16 16 CYS H H 1 8.773 0.004 . . . . . . A 16 CYS H . 30260 1 160 . 1 . 1 16 16 CYS HA H 1 5.804 0.004 . . . . . . A 16 CYS HA . 30260 1 161 . 1 . 1 16 16 CYS HB2 H 1 3.036 0.005 . . . . . . A 16 CYS HB2 . 30260 1 162 . 1 . 1 16 16 CYS HB3 H 1 2.635 0.003 . . . . . . A 16 CYS HB3 . 30260 1 163 . 1 . 1 16 16 CYS CA C 13 55.141 0.000 . . . . . . A 16 CYS CA . 30260 1 164 . 1 . 1 16 16 CYS CB C 13 48.823 0.004 . . . . . . A 16 CYS CB . 30260 1 165 . 1 . 1 16 16 CYS N N 15 123.810 0.000 . . . . . . A 16 CYS N . 30260 1 166 . 1 . 1 17 17 TYR H H 1 9.030 0.002 . . . . . . A 17 TYR H . 30260 1 167 . 1 . 1 17 17 TYR HA H 1 4.927 0.008 . . . . . . A 17 TYR HA . 30260 1 168 . 1 . 1 17 17 TYR HB2 H 1 2.925 0.006 . . . . . . A 17 TYR HB2 . 30260 1 169 . 1 . 1 17 17 TYR HB3 H 1 3.012 0.004 . . . . . . A 17 TYR HB3 . 30260 1 170 . 1 . 1 17 17 TYR HD1 H 1 6.965 0.001 . . . . . . A 17 TYR HD1 . 30260 1 171 . 1 . 1 17 17 TYR HD2 H 1 6.965 0.001 . . . . . . A 17 TYR HD2 . 30260 1 172 . 1 . 1 17 17 TYR HE1 H 1 6.656 0.002 . . . . . . A 17 TYR HE1 . 30260 1 173 . 1 . 1 17 17 TYR HE2 H 1 6.656 0.002 . . . . . . A 17 TYR HE2 . 30260 1 174 . 1 . 1 17 17 TYR CA C 13 57.375 0.000 . . . . . . A 17 TYR CA . 30260 1 175 . 1 . 1 17 17 TYR CB C 13 40.449 0.010 . . . . . . A 17 TYR CB . 30260 1 176 . 1 . 1 17 17 TYR CD2 C 13 133.673 0.000 . . . . . . A 17 TYR CD2 . 30260 1 177 . 1 . 1 17 17 TYR CE1 C 13 117.708 0.000 . . . . . . A 17 TYR CE1 . 30260 1 178 . 1 . 1 17 17 TYR N N 15 120.802 0.000 . . . . . . A 17 TYR N . 30260 1 179 . 1 . 1 18 18 ARG H H 1 8.688 0.004 . . . . . . A 18 ARG H . 30260 1 180 . 1 . 1 18 18 ARG HA H 1 4.216 0.005 . . . . . . A 18 ARG HA . 30260 1 181 . 1 . 1 18 18 ARG HB2 H 1 1.628 0.004 . . . . . . A 18 ARG HB2 . 30260 1 182 . 1 . 1 18 18 ARG HB3 H 1 1.327 0.008 . . . . . . A 18 ARG HB3 . 30260 1 183 . 1 . 1 18 18 ARG HG2 H 1 0.867 0.005 . . . . . . A 18 ARG HG2 . 30260 1 184 . 1 . 1 18 18 ARG HG3 H 1 1.126 0.005 . . . . . . A 18 ARG HG3 . 30260 1 185 . 1 . 1 18 18 ARG HD2 H 1 2.699 0.003 . . . . . . A 18 ARG HD2 . 30260 1 186 . 1 . 1 18 18 ARG HD3 H 1 2.828 0.005 . . . . . . A 18 ARG HD3 . 30260 1 187 . 1 . 1 18 18 ARG CA C 13 55.244 0.000 . . . . . . A 18 ARG CA . 30260 1 188 . 1 . 1 18 18 ARG CB C 13 31.928 0.012 . . . . . . A 18 ARG CB . 30260 1 189 . 1 . 1 18 18 ARG CG C 13 27.769 0.000 . . . . . . A 18 ARG CG . 30260 1 190 . 1 . 1 18 18 ARG CD C 13 40.701 0.004 . . . . . . A 18 ARG CD . 30260 1 191 . 1 . 1 18 18 ARG N N 15 117.681 0.000 . . . . . . A 18 ARG N . 30260 1 192 . 1 . 1 19 19 ARG H H 1 8.692 0.004 . . . . . . A 19 ARG H . 30260 1 193 . 1 . 1 19 19 ARG HA H 1 4.302 0.005 . . . . . . A 19 ARG HA . 30260 1 194 . 1 . 1 19 19 ARG HB2 H 1 0.917 0.006 . . . . . . A 19 ARG HB2 . 30260 1 195 . 1 . 1 19 19 ARG HB3 H 1 0.620 0.003 . . . . . . A 19 ARG HB3 . 30260 1 196 . 1 . 1 19 19 ARG HG2 H 1 1.518 0.004 . . . . . . A 19 ARG HG2 . 30260 1 197 . 1 . 1 19 19 ARG HG3 H 1 1.192 0.003 . . . . . . A 19 ARG HG3 . 30260 1 198 . 1 . 1 19 19 ARG HD2 H 1 3.115 0.003 . . . . . . A 19 ARG HD2 . 30260 1 199 . 1 . 1 19 19 ARG HD3 H 1 3.115 0.003 . . . . . . A 19 ARG HD3 . 30260 1 200 . 1 . 1 19 19 ARG HE H 1 6.862 0.004 . . . . . . A 19 ARG HE . 30260 1 201 . 1 . 1 19 19 ARG CA C 13 54.230 0.000 . . . . . . A 19 ARG CA . 30260 1 202 . 1 . 1 19 19 ARG CB C 13 32.623 0.001 . . . . . . A 19 ARG CB . 30260 1 203 . 1 . 1 19 19 ARG CG C 13 26.852 0.000 . . . . . . A 19 ARG CG . 30260 1 204 . 1 . 1 19 19 ARG CD C 13 43.232 0.000 . . . . . . A 19 ARG CD . 30260 1 205 . 1 . 1 19 19 ARG N N 15 128.473 0.000 . . . . . . A 19 ARG N . 30260 1 206 . 1 . 1 20 20 CYS H H 1 8.122 0.003 . . . . . . A 20 CYS H . 30260 1 207 . 1 . 1 20 20 CYS HA H 1 5.237 0.004 . . . . . . A 20 CYS HA . 30260 1 208 . 1 . 1 20 20 CYS HB2 H 1 2.806 0.004 . . . . . . A 20 CYS HB2 . 30260 1 209 . 1 . 1 20 20 CYS HB3 H 1 3.057 0.007 . . . . . . A 20 CYS HB3 . 30260 1 210 . 1 . 1 20 20 CYS CA C 13 55.202 0.000 . . . . . . A 20 CYS CA . 30260 1 211 . 1 . 1 20 20 CYS CB C 13 48.455 0.026 . . . . . . A 20 CYS CB . 30260 1 212 . 1 . 1 20 20 CYS N N 15 117.742 0.000 . . . . . . A 20 CYS N . 30260 1 213 . 1 . 1 21 21 ASN H H 1 8.633 0.005 . . . . . . A 21 ASN H . 30260 1 214 . 1 . 1 21 21 ASN HA H 1 4.613 0.004 . . . . . . A 21 ASN HA . 30260 1 215 . 1 . 1 21 21 ASN HB2 H 1 3.033 0.003 . . . . . . A 21 ASN HB2 . 30260 1 216 . 1 . 1 21 21 ASN HB3 H 1 2.913 0.001 . . . . . . A 21 ASN HB3 . 30260 1 217 . 1 . 1 21 21 ASN HD21 H 1 6.585 0.009 . . . . . . A 21 ASN HD21 . 30260 1 218 . 1 . 1 21 21 ASN HD22 H 1 7.551 0.004 . . . . . . A 21 ASN HD22 . 30260 1 219 . 1 . 1 21 21 ASN CA C 13 54.084 0.000 . . . . . . A 21 ASN CA . 30260 1 220 . 1 . 1 21 21 ASN N N 15 126.338 0.000 . . . . . . A 21 ASN N . 30260 1 221 . 1 . 1 21 21 ASN ND2 N 15 110.307 0.007 . . . . . . A 21 ASN ND2 . 30260 1 stop_ save_