################################### # 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 51621 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chem shift list 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 $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-15N HSQC' . . . 51621 1 2 '2D 1H-15N HSQC TOCSY' . . . 51621 1 3 '2D 1H-13C HSQC' . . . 51621 1 4 '2D 13C HMBC' . . . 51621 1 5 '2D 1H-13C HSQC TOCSY' . . . 51621 1 6 '2D 1H-1H NOESY' . . . 51621 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 1 $software_1 . . 51621 1 2 $software_2 . . 51621 1 3 $software_3 . . 51621 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 DPN H H 1 8.224 0.00 . 1 . . . . . 1 PHE HN . 51621 1 2 . 1 . 1 1 1 DPN HA H 1 4.352 0.00 . 1 . . . . . 1 PHE HA . 51621 1 3 . 1 . 1 1 1 DPN HB2 H 1 2.960 0.00 . 2 . . . . . 1 PHE HB2 . 51621 1 4 . 1 . 1 1 1 DPN HB3 H 1 3.067 0.00 . 2 . . . . . 1 PHE HB3 . 51621 1 5 . 1 . 1 1 1 DPN HD1 H 1 7.225 0.00 . 3 . . . . . 1 PHE HD . 51621 1 6 . 1 . 1 1 1 DPN HD2 H 1 7.225 0.00 . 3 . . . . . 1 PHE HD . 51621 1 7 . 1 . 1 1 1 DPN HE1 H 1 7.341 0.00 . 3 . . . . . 1 PHE HE . 51621 1 8 . 1 . 1 1 1 DPN HE2 H 1 7.341 0.00 . 3 . . . . . 1 PHE HE . 51621 1 9 . 1 . 1 1 1 DPN HZ H 1 7.319 0.01 . 1 . . . . . 1 PHE HZ . 51621 1 10 . 1 . 1 1 1 DPN C C 13 166.900 0.00 . 1 . . . . . 1 PHE C . 51621 1 11 . 1 . 1 1 1 DPN CA C 13 52.388 0.00 . 1 . . . . . 1 PHE CA . 51621 1 12 . 1 . 1 1 1 DPN CB C 13 37.241 0.01 . 1 . . . . . 1 PHE CB . 51621 1 13 . 1 . 1 1 1 DPN CG C 13 134.941 0.01 . 1 . . . . . 1 PHE CG . 51621 1 14 . 1 . 1 1 1 DPN CD1 C 13 129.995 0.00 . 3 . . . . . 1 PHE CD . 51621 1 15 . 1 . 1 1 1 DPN CD2 C 13 129.995 0.00 . 3 . . . . . 1 PHE CD . 51621 1 16 . 1 . 1 1 1 DPN CE1 C 13 129.050 0.00 . 3 . . . . . 1 PHE CE . 51621 1 17 . 1 . 1 1 1 DPN CE2 C 13 129.050 0.00 . 3 . . . . . 1 PHE CE . 51621 1 18 . 1 . 1 1 1 DPN CZ C 13 127.925 0.00 . 1 . . . . . 1 PHE CZ . 51621 1 19 . 1 . 1 2 2 PRO HA H 1 4.244 0.00 . 1 . . . . . 2 PRO HA . 51621 1 20 . 1 . 1 2 2 PRO HB2 H 1 1.687 0.00 . 2 . . . . . 2 PRO HB2 . 51621 1 21 . 1 . 1 2 2 PRO HB3 H 1 1.767 0.00 . 2 . . . . . 2 PRO HB3 . 51621 1 22 . 1 . 1 2 2 PRO HG2 H 1 1.417 0.00 . 2 . . . . . 2 PRO HG2 . 51621 1 23 . 1 . 1 2 2 PRO HG3 H 1 1.686 0.00 . 2 . . . . . 2 PRO HG3 . 51621 1 24 . 1 . 1 2 2 PRO HD2 H 1 2.697 0.00 . 2 . . . . . 2 PRO HD2 . 51621 1 25 . 1 . 1 2 2 PRO HD3 H 1 3.469 0.00 . 2 . . . . . 2 PRO HD3 . 51621 1 26 . 1 . 1 2 2 PRO C C 13 171.381 0.01 . 1 . . . . . 2 PRO C . 51621 1 27 . 1 . 1 2 2 PRO CA C 13 59.782 0.00 . 1 . . . . . 2 PRO CA . 51621 1 28 . 1 . 1 2 2 PRO CB C 13 29.700 0.00 . 1 . . . . . 2 PRO CB . 51621 1 29 . 1 . 1 2 2 PRO CG C 13 24.226 0.00 . 1 . . . . . 2 PRO CG . 51621 1 30 . 1 . 1 2 2 PRO CD C 13 47.209 0.01 . 1 . . . . . 2 PRO CD . 51621 1 31 . 1 . 1 3 3 ARG H H 1 8.144 0.00 . 1 . . . . . 3 ARG HN . 51621 1 32 . 1 . 1 3 3 ARG HA H 1 4.410 0.00 . 1 . . . . . 3 ARG HA . 51621 1 33 . 1 . 1 3 3 ARG HB2 H 1 1.519 0.00 . 2 . . . . . 3 ARG HB2 . 51621 1 34 . 1 . 1 3 3 ARG HB3 H 1 1.707 0.00 . 2 . . . . . 3 ARG HB3 . 51621 1 35 . 1 . 1 3 3 ARG HG2 H 1 1.546 0.00 . 2 . . . . . 3 ARG HG . 51621 1 36 . 1 . 1 3 3 ARG HG3 H 1 1.546 0.00 . 2 . . . . . 3 ARG HG . 51621 1 37 . 1 . 1 3 3 ARG HD2 H 1 3.090 0.00 . 2 . . . . . 3 ARG HD . 51621 1 38 . 1 . 1 3 3 ARG HD3 H 1 3.090 0.00 . 2 . . . . . 3 ARG HD . 51621 1 39 . 1 . 1 3 3 ARG HE H 1 7.584 0.00 . 1 . . . . . 3 ARG HE . 51621 1 40 . 1 . 1 3 3 ARG HH11 H 1 6.943 0.00 . 1 . . . . . 3 ARG HH1 . 51621 1 41 . 1 . 1 3 3 ARG HH12 H 1 6.943 0.00 . 1 . . . . . 3 ARG HH1 . 51621 1 42 . 1 . 1 3 3 ARG HH21 H 1 7.337 0.00 . 1 . . . . . 3 ARG HH2 . 51621 1 43 . 1 . 1 3 3 ARG HH22 H 1 7.337 0.00 . 1 . . . . . 3 ARG HH2 . 51621 1 44 . 1 . 1 3 3 ARG C C 13 170.244 0.00 . 1 . . . . . 3 ARG C . 51621 1 45 . 1 . 1 3 3 ARG CA C 13 50.704 0.00 . 1 . . . . . 3 ARG CA . 51621 1 46 . 1 . 1 3 3 ARG CB C 13 28.575 0.01 . 1 . . . . . 3 ARG CB . 51621 1 47 . 1 . 1 3 3 ARG CG C 13 25.107 0.01 . 1 . . . . . 3 ARG CG . 51621 1 48 . 1 . 1 3 3 ARG CD C 13 41.077 0.01 . 1 . . . . . 3 ARG CD . 51621 1 49 . 1 . 1 3 3 ARG CZ C 13 157.180 0.00 . 1 . . . . . 3 ARG CZ . 51621 1 50 . 1 . 1 3 3 ARG N N 15 117.815 0.01 . 1 . . . . . 3 ARG N . 51621 1 51 . 1 . 1 3 3 ARG NE N 15 84.8 0.00 . 1 . . . . . 3 ARG NE . 51621 1 52 . 1 . 1 4 4 PRO HA H 1 4.294 0.00 . 1 . . . . . 4 PRO HA . 51621 1 53 . 1 . 1 4 4 PRO HB2 H 1 1.839 0.01 . 2 . . . . . 4 PRO HB2 . 51621 1 54 . 1 . 1 4 4 PRO HB3 H 1 2.051 0.00 . 2 . . . . . 4 PRO HB3 . 51621 1 55 . 1 . 1 4 4 PRO HG2 H 1 1.810 0.01 . 2 . . . . . 4 PRO HG2 . 51621 1 56 . 1 . 1 4 4 PRO HG3 H 1 1.942 0.01 . 2 . . . . . 4 PRO HG3 . 51621 1 57 . 1 . 1 4 4 PRO HD2 H 1 3.522 0.00 . 2 . . . . . 4 PRO HD2 . 51621 1 58 . 1 . 1 4 4 PRO HD3 H 1 3.614 0.00 . 2 . . . . . 4 PRO HD3 . 51621 1 59 . 1 . 1 4 4 PRO C C 13 172.583 0.01 . 1 . . . . . 4 PRO C . 51621 1 60 . 1 . 1 4 4 PRO CA C 13 60.161 0.00 . 1 . . . . . 4 PRO CA . 51621 1 61 . 1 . 1 4 4 PRO CB C 13 29.598 0.01 . 1 . . . . . 4 PRO CB . 51621 1 62 . 1 . 1 4 4 PRO CG C 13 25.011 0.00 . 1 . . . . . 4 PRO CG . 51621 1 63 . 1 . 1 4 4 PRO CD C 13 47.266 0.01 . 1 . . . . . 4 PRO CD . 51621 1 64 . 1 . 1 5 5 GLY H H 1 8.254 0.00 . 1 . . . . . 5 GLY HN . 51621 1 65 . 1 . 1 5 5 GLY HA2 H 1 3.688 0.00 . 2 . . . . . 5 GLY HA2 . 51621 1 66 . 1 . 1 5 5 GLY HA3 H 1 3.754 0.00 . 2 . . . . . 5 GLY HA3 . 51621 1 67 . 1 . 1 5 5 GLY C C 13 169.707 0.00 . 1 . . . . . 5 GLY C . 51621 1 68 . 1 . 1 5 5 GLY CA C 13 42.518 0.00 . 1 . . . . . 5 GLY CA . 51621 1 69 . 1 . 1 5 5 GLY N N 15 105.782 0.01 . 1 . . . . . 5 GLY N . 51621 1 70 . 1 . 1 6 6 GLY H H 1 8.032 0.00 . 1 . . . . . 6 GLY HN . 51621 1 71 . 1 . 1 6 6 GLY HA2 H 1 3.743 0.01 . 2 . . . . . 6 GLY HA . 51621 1 72 . 1 . 1 6 6 GLY HA3 H 1 3.743 0.01 . 2 . . . . . 6 GLY HA . 51621 1 73 . 1 . 1 6 6 GLY C C 13 169.687 0.00 . 1 . . . . . 6 GLY C . 51621 1 74 . 1 . 1 6 6 GLY CA C 13 42.479 0.01 . 1 . . . . . 6 GLY CA . 51621 1 75 . 1 . 1 6 6 GLY N N 15 104.887 0.01 . 1 . . . . . 6 GLY N . 51621 1 76 . 1 . 1 7 7 GLY H H 1 8.152 0.00 . 1 . . . . . 7 GLY HN . 51621 1 77 . 1 . 1 7 7 GLY HA2 H 1 3.740 0.00 . 2 . . . . . 7 GLY HA . 51621 1 78 . 1 . 1 7 7 GLY HA3 H 1 3.740 0.00 . 2 . . . . . 7 GLY HA . 51621 1 79 . 1 . 1 7 7 GLY C C 13 169.557 0.00 . 1 . . . . . 7 GLY C . 51621 1 80 . 1 . 1 7 7 GLY CA C 13 42.353 0.00 . 1 . . . . . 7 GLY CA . 51621 1 81 . 1 . 1 7 7 GLY N N 15 105.575 0.00 . 1 . . . . . 7 GLY N . 51621 1 82 . 1 . 1 8 8 GLY H H 1 8.099 0.00 . 1 . . . . . 8 GLY HN . 51621 1 83 . 1 . 1 8 8 GLY HA2 H 1 3.757 0.00 . 2 . . . . . 8 GLY HA . 51621 1 84 . 1 . 1 8 8 GLY HA3 H 1 3.757 0.00 . 2 . . . . . 8 GLY HA . 51621 1 85 . 1 . 1 8 8 GLY C C 13 169.182 0.00 . 1 . . . . . 8 GLY C . 51621 1 86 . 1 . 1 8 8 GLY CA C 13 42.317 0.00 . 1 . . . . . 8 GLY CA . 51621 1 87 . 1 . 1 8 8 GLY N N 15 105.486 0.00 . 1 . . . . . 8 GLY N . 51621 1 88 . 1 . 1 9 9 ASN H H 1 8.166 0.00 . 1 . . . . . 9 ASN HN . 51621 1 89 . 1 . 1 9 9 ASN HA H 1 4.550 0.00 . 1 . . . . . 9 ASN HA . 51621 1 90 . 1 . 1 9 9 ASN HB2 H 1 2.461 0.00 . 2 . . . . . 9 ASN HB2 . 51621 1 91 . 1 . 1 9 9 ASN HB3 H 1 2.566 0.00 . 2 . . . . . 9 ASN HB3 . 51621 1 92 . 1 . 1 9 9 ASN HD21 H 1 6.939 0.00 . 1 . . . . . 9 ASN HD21 . 51621 1 93 . 1 . 1 9 9 ASN HD22 H 1 7.429 0.00 . 1 . . . . . 9 ASN HD22 . 51621 1 94 . 1 . 1 9 9 ASN C C 13 171.809 0.00 . 1 . . . . . 9 ASN C . 51621 1 95 . 1 . 1 9 9 ASN CA C 13 50.229 0.00 . 1 . . . . . 9 ASN CA . 51621 1 96 . 1 . 1 9 9 ASN CB C 13 37.594 0.01 . 1 . . . . . 9 ASN CB . 51621 1 97 . 1 . 1 9 9 ASN CG C 13 172.106 0.00 . 1 . . . . . 9 ASN CG . 51621 1 98 . 1 . 1 9 9 ASN N N 15 116.951 0.01 . 1 . . . . . 9 ASN N . 51621 1 99 . 1 . 1 9 9 ASN ND2 N 15 110.506 0.00 . 1 . . . . . 9 ASN ND2 . 51621 1 100 . 1 . 1 10 10 GLY H H 1 8.148 0.00 . 1 . . . . . 10 GLY HN . 51621 1 101 . 1 . 1 10 10 GLY HA2 H 1 3.628 0.00 . 2 . . . . . 10 GLY HA2 . 51621 1 102 . 1 . 1 10 10 GLY HA3 H 1 3.714 0.00 . 2 . . . . . 10 GLY HA3 . 51621 1 103 . 1 . 1 10 10 GLY C C 13 169.193 0.00 . 1 . . . . . 10 GLY C . 51621 1 104 . 1 . 1 10 10 GLY CA C 13 42.705 0.00 . 1 . . . . . 10 GLY CA . 51621 1 105 . 1 . 1 10 10 GLY N N 15 105.863 0.00 . 1 . . . . . 10 GLY N . 51621 1 106 . 1 . 1 11 11 ASP H H 1 8.111 0.00 . 1 . . . . . 11 ASP HN . 51621 1 107 . 1 . 1 11 11 ASP HA H 1 4.547 0.00 . 1 . . . . . 11 ASP HA . 51621 1 108 . 1 . 1 11 11 ASP HB2 H 1 2.437 0.00 . 2 . . . . . 11 ASP HB2 . 51621 1 109 . 1 . 1 11 11 ASP HB3 H 1 2.656 0.00 . 2 . . . . . 11 ASP HB3 . 51621 1 110 . 1 . 1 11 11 ASP C C 13 170.820 0.00 . 1 . . . . . 11 ASP C . 51621 1 111 . 1 . 1 11 11 ASP CA C 13 49.938 0.00 . 1 . . . . . 11 ASP CA . 51621 1 112 . 1 . 1 11 11 ASP CB C 13 36.304 0.00 . 1 . . . . . 11 ASP CB . 51621 1 113 . 1 . 1 11 11 ASP CG C 13 172.180 0.00 . 1 . . . . . 11 ASP CG . 51621 1 114 . 1 . 1 11 11 ASP N N 15 116.549 0.01 . 1 . . . . . 11 ASP N . 51621 1 115 . 1 . 1 12 12 PHE H H 1 7.794 0.00 . 1 . . . . . 12 PHE HN . 51621 1 116 . 1 . 1 12 12 PHE HA H 1 4.462 0.00 . 1 . . . . . 12 PHE HA . 51621 1 117 . 1 . 1 12 12 PHE HB2 H 1 2.809 0.00 . 2 . . . . . 12 PHE HB2 . 51621 1 118 . 1 . 1 12 12 PHE HB3 H 1 3.013 0.00 . 2 . . . . . 12 PHE HB3 . 51621 1 119 . 1 . 1 12 12 PHE HD1 H 1 7.201 0.00 . 3 . . . . . 12 PHE HD . 51621 1 120 . 1 . 1 12 12 PHE HD2 H 1 7.201 0.00 . 3 . . . . . 12 PHE HD . 51621 1 121 . 1 . 1 12 12 PHE HE1 H 1 7.239 0.00 . 3 . . . . . 12 PHE HE . 51621 1 122 . 1 . 1 12 12 PHE HE2 H 1 7.239 0.00 . 3 . . . . . 12 PHE HE . 51621 1 123 . 1 . 1 12 12 PHE HZ H 1 7.173 0.01 . 1 . . . . . 12 PHE HZ . 51621 1 124 . 1 . 1 12 12 PHE C C 13 171.056 0.01 . 1 . . . . . 12 PHE C . 51621 1 125 . 1 . 1 12 12 PHE CA C 13 54.338 0.01 . 1 . . . . . 12 PHE CA . 51621 1 126 . 1 . 1 12 12 PHE CB C 13 37.707 0.00 . 1 . . . . . 12 PHE CB . 51621 1 127 . 1 . 1 12 12 PHE CG C 13 138.045 0.01 . 1 . . . . . 12 PHE CG . 51621 1 128 . 1 . 1 12 12 PHE CD1 C 13 129.760 0.00 . 3 . . . . . 12 PHE CD . 51621 1 129 . 1 . 1 12 12 PHE CD2 C 13 129.760 0.00 . 3 . . . . . 12 PHE CD . 51621 1 130 . 1 . 1 12 12 PHE CE1 C 13 128.490 0.00 . 3 . . . . . 12 PHE CE . 51621 1 131 . 1 . 1 12 12 PHE CE2 C 13 128.490 0.00 . 3 . . . . . 12 PHE CE . 51621 1 132 . 1 . 1 12 12 PHE CZ C 13 126.727 0.00 . 1 . . . . . 12 PHE CZ . 51621 1 133 . 1 . 1 12 12 PHE N N 15 115.875 0.01 . 1 . . . . . 12 PHE N . 51621 1 134 . 1 . 1 13 13 GLU H H 1 8.055 0.00 . 1 . . . . . 13 GLU HN . 51621 1 135 . 1 . 1 13 13 GLU HA H 1 4.264 0.00 . 1 . . . . . 13 GLU HA . 51621 1 136 . 1 . 1 13 13 GLU HB2 H 1 1.742 0.01 . 2 . . . . . 13 GLU HB2 . 51621 1 137 . 1 . 1 13 13 GLU HB3 H 1 1.884 0.01 . 2 . . . . . 13 GLU HB3 . 51621 1 138 . 1 . 1 13 13 GLU HG2 H 1 2.243 0.00 . 2 . . . . . 13 GLU HG . 51621 1 139 . 1 . 1 13 13 GLU HG3 H 1 2.243 0.00 . 2 . . . . . 13 GLU HG . 51621 1 140 . 1 . 1 13 13 GLU C C 13 171.283 0.00 . 1 . . . . . 13 GLU C . 51621 1 141 . 1 . 1 13 13 GLU CA C 13 52.285 0.00 . 1 . . . . . 13 GLU CA . 51621 1 142 . 1 . 1 13 13 GLU CB C 13 27.927 0.00 . 1 . . . . . 13 GLU CB . 51621 1 143 . 1 . 1 13 13 GLU CG C 13 30.635 0.01 . 1 . . . . . 13 GLU CG . 51621 1 144 . 1 . 1 13 13 GLU CD C 13 174.506 0.00 . 1 . . . . . 13 GLU CD . 51621 1 145 . 1 . 1 13 13 GLU N N 15 117.180 0.01 . 1 . . . . . 13 GLU N . 51621 1 146 . 1 . 1 14 14 GLU H H 1 7.963 0.00 . 1 . . . . . 14 GLU HN . 51621 1 147 . 1 . 1 14 14 GLU HA H 1 4.301 0.00 . 1 . . . . . 14 GLU HA . 51621 1 148 . 1 . 1 14 14 GLU HB2 H 1 1.703 0.01 . 2 . . . . . 14 GLU HB2 . 51621 1 149 . 1 . 1 14 14 GLU HB3 H 1 1.842 0.00 . 2 . . . . . 14 GLU HB3 . 51621 1 150 . 1 . 1 14 14 GLU HG2 H 1 2.172 0.00 . 2 . . . . . 14 GLU HG2 . 51621 1 151 . 1 . 1 14 14 GLU HG3 H 1 2.236 0.01 . 2 . . . . . 14 GLU HG3 . 51621 1 152 . 1 . 1 14 14 GLU C C 13 171.328 0.01 . 1 . . . . . 14 GLU C . 51621 1 153 . 1 . 1 14 14 GLU CA C 13 51.990 0.00 . 1 . . . . . 14 GLU CA . 51621 1 154 . 1 . 1 14 14 GLU CB C 13 28.029 0.01 . 1 . . . . . 14 GLU CB . 51621 1 155 . 1 . 1 14 14 GLU CG C 13 30.714 0.01 . 1 . . . . . 14 GLU CG . 51621 1 156 . 1 . 1 14 14 GLU CD C 13 174.447 0.00 . 1 . . . . . 14 GLU CD . 51621 1 157 . 1 . 1 14 14 GLU N N 15 117.794 0.01 . 1 . . . . . 14 GLU N . 51621 1 158 . 1 . 1 15 15 ILE H H 1 8.069 0.00 . 1 . . . . . 15 ILE HN . 51621 1 159 . 1 . 1 15 15 ILE HA H 1 4.313 0.00 . 1 . . . . . 15 ILE HA . 51621 1 160 . 1 . 1 15 15 ILE HB H 1 1.736 0.00 . 1 . . . . . 15 ILE HB . 51621 1 161 . 1 . 1 15 15 ILE HG12 H 1 1.060 0.00 . 2 . . . . . 15 ILE HG12 . 51621 1 162 . 1 . 1 15 15 ILE HG13 H 1 1.509 0.01 . 2 . . . . . 15 ILE HG13 . 51621 1 163 . 1 . 1 15 15 ILE HG21 H 1 0.870 0.00 . 1 . . . . . 15 ILE HG2 . 51621 1 164 . 1 . 1 15 15 ILE HG22 H 1 0.870 0.00 . 1 . . . . . 15 ILE HG2 . 51621 1 165 . 1 . 1 15 15 ILE HG23 H 1 0.870 0.00 . 1 . . . . . 15 ILE HG2 . 51621 1 166 . 1 . 1 15 15 ILE HD11 H 1 0.802 0.00 . 1 . . . . . 15 ILE HD1 . 51621 1 167 . 1 . 1 15 15 ILE HD12 H 1 0.802 0.00 . 1 . . . . . 15 ILE HD1 . 51621 1 168 . 1 . 1 15 15 ILE HD13 H 1 0.802 0.00 . 1 . . . . . 15 ILE HD1 . 51621 1 169 . 1 . 1 15 15 ILE C C 13 170.456 0.01 . 1 . . . . . 15 ILE C . 51621 1 170 . 1 . 1 15 15 ILE CA C 13 55.082 0.01 . 1 . . . . . 15 ILE CA . 51621 1 171 . 1 . 1 15 15 ILE CB C 13 36.633 0.01 . 1 . . . . . 15 ILE CB . 51621 1 172 . 1 . 1 15 15 ILE CG1 C 13 24.688 0.01 . 1 . . . . . 15 ILE CG1 . 51621 1 173 . 1 . 1 15 15 ILE CG2 C 13 15.352 0.01 . 1 . . . . . 15 ILE CG2 . 51621 1 174 . 1 . 1 15 15 ILE CD1 C 13 11.192 0.00 . 1 . . . . . 15 ILE CD1 . 51621 1 175 . 1 . 1 15 15 ILE N N 15 119.358 0.01 . 1 . . . . . 15 ILE N . 51621 1 176 . 1 . 1 16 16 PRO HA H 1 4.346 0.00 . 1 . . . . . 16 PRO HA . 51621 1 177 . 1 . 1 16 16 PRO HB2 H 1 1.798 0.00 . 2 . . . . . 16 PRO HB2 . 51621 1 178 . 1 . 1 16 16 PRO HB3 H 1 2.002 0.00 . 2 . . . . . 16 PRO HB3 . 51621 1 179 . 1 . 1 16 16 PRO HG2 H 1 1.895 0.00 . 2 . . . . . 16 PRO HG . 51621 1 180 . 1 . 1 16 16 PRO HG3 H 1 1.895 0.00 . 2 . . . . . 16 PRO HG . 51621 1 181 . 1 . 1 16 16 PRO HD2 H 1 3.539 0.00 . 2 . . . . . 16 PRO HD2 . 51621 1 182 . 1 . 1 16 16 PRO HD3 H 1 3.735 0.00 . 2 . . . . . 16 PRO HD3 . 51621 1 183 . 1 . 1 16 16 PRO C C 13 172.145 0.01 . 1 . . . . . 16 PRO C . 51621 1 184 . 1 . 1 16 16 PRO CA C 13 59.661 0.01 . 1 . . . . . 16 PRO CA . 51621 1 185 . 1 . 1 16 16 PRO CB C 13 29.493 0.01 . 1 . . . . . 16 PRO CB . 51621 1 186 . 1 . 1 16 16 PRO CG C 13 24.951 0.00 . 1 . . . . . 16 PRO CG . 51621 1 187 . 1 . 1 16 16 PRO CD C 13 47.692 0.00 . 1 . . . . . 16 PRO CD . 51621 1 188 . 1 . 1 17 17 GLU H H 1 8.074 0.00 . 1 . . . . . 17 GLU HN . 51621 1 189 . 1 . 1 17 17 GLU HA H 1 4.178 0.00 . 1 . . . . . 17 GLU HA . 51621 1 190 . 1 . 1 17 17 GLU HB2 H 1 1.738 0.00 . 2 . . . . . 17 GLU HB2 . 51621 1 191 . 1 . 1 17 17 GLU HB3 H 1 1.874 0.01 . 2 . . . . . 17 GLU HB3 . 51621 1 192 . 1 . 1 17 17 GLU HG2 H 1 2.243 0.01 . 2 . . . . . 17 GLU HG2 . 51621 1 193 . 1 . 1 17 17 GLU HG3 H 1 2.293 0.00 . 2 . . . . . 17 GLU HG3 . 51621 1 194 . 1 . 1 17 17 GLU C C 13 171.493 0.01 . 1 . . . . . 17 GLU C . 51621 1 195 . 1 . 1 17 17 GLU CA C 13 52.629 0.01 . 1 . . . . . 17 GLU CA . 51621 1 196 . 1 . 1 17 17 GLU CB C 13 27.507 0.01 . 1 . . . . . 17 GLU CB . 51621 1 197 . 1 . 1 17 17 GLU CG C 13 30.578 0.00 . 1 . . . . . 17 GLU CG . 51621 1 198 . 1 . 1 17 17 GLU CD C 13 174.523 0.00 . 1 . . . . . 17 GLU CD . 51621 1 199 . 1 . 1 17 17 GLU N N 15 117.504 0.01 . 1 . . . . . 17 GLU N . 51621 1 200 . 1 . 1 18 18 GLU H H 1 7.807 0.00 . 1 . . . . . 18 GLU HN . 51621 1 201 . 1 . 1 18 18 GLU HA H 1 4.205 0.00 . 1 . . . . . 18 GLU HA . 51621 1 202 . 1 . 1 18 18 GLU HB2 H 1 1.691 0.00 . 2 . . . . . 18 GLU HB2 . 51621 1 203 . 1 . 1 18 18 GLU HB3 H 1 1.831 0.00 . 2 . . . . . 18 GLU HB3 . 51621 1 204 . 1 . 1 18 18 GLU HG2 H 1 2.164 0.00 . 2 . . . . . 18 GLU HG . 51621 1 205 . 1 . 1 18 18 GLU HG3 H 1 2.164 0.00 . 2 . . . . . 18 GLU HG . 51621 1 206 . 1 . 1 18 18 GLU C C 13 171.086 0.00 . 1 . . . . . 18 GLU C . 51621 1 207 . 1 . 1 18 18 GLU CA C 13 52.196 0.00 . 1 . . . . . 18 GLU CA . 51621 1 208 . 1 . 1 18 18 GLU CB C 13 27.982 0.00 . 1 . . . . . 18 GLU CB . 51621 1 209 . 1 . 1 18 18 GLU CG C 13 30.301 0.00 . 1 . . . . . 18 GLU CG . 51621 1 210 . 1 . 1 18 18 GLU CD C 13 174.489 0.00 . 1 . . . . . 18 GLU CD . 51621 1 211 . 1 . 1 18 18 GLU N N 15 116.348 0.01 . 1 . . . . . 18 GLU N . 51621 1 212 . 1 . 1 19 19 TYR H H 1 7.925 0.00 . 1 . . . . . 19 TYR HN . 51621 1 213 . 1 . 1 19 19 TYR HA H 1 4.444 0.00 . 1 . . . . . 19 TYR HA . 51621 1 214 . 1 . 1 19 19 TYR HB2 H 1 2.665 0.00 . 2 . . . . . 19 TYR HB2 . 51621 1 215 . 1 . 1 19 19 TYR HB3 H 1 2.917 0.00 . 2 . . . . . 19 TYR HB3 . 51621 1 216 . 1 . 1 19 19 TYR HD1 H 1 7.014 0.00 . 3 . . . . . 19 TYR HD . 51621 1 217 . 1 . 1 19 19 TYR HD2 H 1 7.014 0.00 . 3 . . . . . 19 TYR HD . 51621 1 218 . 1 . 1 19 19 TYR HE1 H 1 6.621 0.00 . 3 . . . . . 19 TYR HE . 51621 1 219 . 1 . 1 19 19 TYR HE2 H 1 6.621 0.00 . 3 . . . . . 19 TYR HE . 51621 1 220 . 1 . 1 19 19 TYR HH H 1 9.135 0.00 . 1 . . . . . 19 TYR HH . 51621 1 221 . 1 . 1 19 19 TYR C C 13 171.462 0.00 . 1 . . . . . 19 TYR C . 51621 1 222 . 1 . 1 19 19 TYR CA C 13 54.253 0.00 . 1 . . . . . 19 TYR CA . 51621 1 223 . 1 . 1 19 19 TYR CB C 13 36.877 0.00 . 1 . . . . . 19 TYR CB . 51621 1 224 . 1 . 1 19 19 TYR CG C 13 128.111 0.01 . 1 . . . . . 19 TYR CG . 51621 1 225 . 1 . 1 19 19 TYR CD1 C 13 130.484 0.01 . 3 . . . . . 19 TYR CD . 51621 1 226 . 1 . 1 19 19 TYR CD2 C 13 130.484 0.01 . 3 . . . . . 19 TYR CD . 51621 1 227 . 1 . 1 19 19 TYR CE1 C 13 115.309 0.00 . 3 . . . . . 19 TYR CE . 51621 1 228 . 1 . 1 19 19 TYR CE2 C 13 115.309 0.00 . 3 . . . . . 19 TYR CE . 51621 1 229 . 1 . 1 19 19 TYR CZ C 13 156.202 0.00 . 1 . . . . . 19 TYR CZ . 51621 1 230 . 1 . 1 19 19 TYR N N 15 117.236 0.01 . 1 . . . . . 19 TYR N . 51621 1 231 . 1 . 1 20 20 LEU H H 1 8.102 0.00 . 1 . . . . . 20 LEU HN . 51621 1 232 . 1 . 1 20 20 LEU HA H 1 4.223 0.00 . 1 . . . . . 20 LEU HA . 51621 1 233 . 1 . 1 20 20 LEU HB2 H 1 1.498 0.00 . 2 . . . . . 20 LEU HB2 . 51621 1 234 . 1 . 1 20 20 LEU HB3 H 1 1.541 0.00 . 2 . . . . . 20 LEU HB3 . 51621 1 235 . 1 . 1 20 20 LEU HG H 1 1.629 0.00 . 1 . . . . . 20 LEU HG . 51621 1 236 . 1 . 1 20 20 LEU HD11 H 1 0.829 0.00 . 2 . . . . . 20 LEU HD1 . 51621 1 237 . 1 . 1 20 20 LEU HD12 H 1 0.829 0.00 . 2 . . . . . 20 LEU HD1 . 51621 1 238 . 1 . 1 20 20 LEU HD13 H 1 0.829 0.00 . 2 . . . . . 20 LEU HD1 . 51621 1 239 . 1 . 1 20 20 LEU HD21 H 1 0.885 0.00 . 2 . . . . . 20 LEU HD2 . 51621 1 240 . 1 . 1 20 20 LEU HD22 H 1 0.885 0.00 . 2 . . . . . 20 LEU HD2 . 51621 1 241 . 1 . 1 20 20 LEU HD23 H 1 0.885 0.00 . 2 . . . . . 20 LEU HD2 . 51621 1 242 . 1 . 1 20 20 LEU C C 13 174.328 0.00 . 1 . . . . . 20 LEU C . 51621 1 243 . 1 . 1 20 20 LEU CA C 13 50.647 0.00 . 1 . . . . . 20 LEU CA . 51621 1 244 . 1 . 1 20 20 LEU CB C 13 40.450 0.01 . 1 . . . . . 20 LEU CB . 51621 1 245 . 1 . 1 20 20 LEU CG C 13 24.640 0.01 . 1 . . . . . 20 LEU CG . 51621 1 246 . 1 . 1 20 20 LEU CD1 C 13 21.730 0.00 . 2 . . . . . 20 LEU CD1 . 51621 1 247 . 1 . 1 20 20 LEU CD2 C 13 23.344 0.00 . 2 . . . . . 20 LEU CD2 . 51621 1 248 . 1 . 1 20 20 LEU N N 15 118.453 0.01 . 1 . . . . . 20 LEU N . 51621 1 stop_ save_