################################### # 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 51951 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ZNF750-1 Assignments D2O Spectra' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 5 '2D DQF-COSY' . . . 51951 1 6 '2D 1H-1H COSY' . . . 51951 1 7 '2D 1H-1H NOESY' . . . 51951 1 8 '2D 1H-1H TOCSY' . . . 51951 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 . . 51951 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 TYR H H 1 8.5296 . . 1 . . . . . 1 TYR H . 51951 1 2 . 1 . 1 1 1 TYR HA H 1 4.5711 . . 1 . . . . . 1 TYR HA . 51951 1 3 . 1 . 1 1 1 TYR HB2 H 1 2.8976 . . 1 . . . . . 1 TYR HB1 . 51951 1 4 . 1 . 1 1 1 TYR HB3 H 1 2.9537 . . 1 . . . . . 1 TYR HB2 . 51951 1 5 . 1 . 1 1 1 TYR HD1 H 1 6.9414 . . 3 . . . . . 1 TYR HD# . 51951 1 6 . 1 . 1 1 1 TYR HD2 H 1 6.9414 . . 3 . . . . . 1 TYR HD# . 51951 1 7 . 1 . 1 1 1 TYR HE1 H 1 6.8166 . . 3 . . . . . 1 TYR HE# . 51951 1 8 . 1 . 1 1 1 TYR HE2 H 1 6.8166 . . 3 . . . . . 1 TYR HE# . 51951 1 9 . 1 . 1 1 1 TYR CA C 13 57.9478 . . 1 . . . . . 1 TYR CA . 51951 1 10 . 1 . 1 1 1 TYR CB C 13 38.6229 . . 1 . . . . . 1 TYR CB . 51951 1 11 . 1 . 1 1 1 TYR CD2 C 13 133.3672 . . 3 . . . . . 1 TYR CD2 . 51951 1 12 . 1 . 1 1 1 TYR CE2 C 13 118.1761 . . 3 . . . . . 1 TYR CE2 . 51951 1 13 . 1 . 1 1 1 TYR N N 15 124.7408 . . 1 . . . . . 1 TYR N . 51951 1 14 . 1 . 1 2 2 LYS H H 1 8.5403 . . 1 . . . . . 2 LYS HN . 51951 1 15 . 1 . 1 2 2 LYS HA H 1 5.0653 . . 1 . . . . . 2 LYS HA . 51951 1 16 . 1 . 1 2 2 LYS HB2 H 1 1.7450 . . 2 . . . . . 2 LYS HB# . 51951 1 17 . 1 . 1 2 2 LYS HB3 H 1 1.7450 . . 2 . . . . . 2 LYS HB# . 51951 1 18 . 1 . 1 2 2 LYS HG2 H 1 1.2641 . . 2 . . . . . 2 LYS HG# . 51951 1 19 . 1 . 1 2 2 LYS HG3 H 1 1.2641 . . 2 . . . . . 2 LYS HG# . 51951 1 20 . 1 . 1 2 2 LYS HD2 H 1 1.5685 . . 2 . . . . . 2 LYS HD1 . 51951 1 21 . 1 . 1 2 2 LYS HD3 H 1 1.6611 . . 2 . . . . . 2 LYS HD2 . 51951 1 22 . 1 . 1 2 2 LYS CA C 13 54.4432 . . 1 . . . . . 2 LYS CA . 51951 1 23 . 1 . 1 2 2 LYS CB C 13 35.6886 . . 1 . . . . . 2 LYS CB . 51951 1 24 . 1 . 1 2 2 LYS CG C 13 24.7270 . . 1 . . . . . 2 LYS CG . 51951 1 25 . 1 . 1 2 2 LYS CD C 13 29.1279 . . 1 . . . . . 2 LYS CD . 51951 1 26 . 1 . 1 2 2 LYS N N 15 129.1800 . . 1 . . . . . 2 LYS N . 51951 1 27 . 1 . 1 3 3 CYS H H 1 8.5455 . . 1 . . . . . 3 CYS HN . 51951 1 28 . 1 . 1 3 3 CYS HA H 1 4.3532 . . 1 . . . . . 3 CYS HA . 51951 1 29 . 1 . 1 3 3 CYS HB2 H 1 2.6788 . . 1 . . . . . 3 CYS HB1 . 51951 1 30 . 1 . 1 3 3 CYS HB3 H 1 3.4832 . . 1 . . . . . 3 CYS HB2 . 51951 1 31 . 1 . 1 3 3 CYS CA C 13 55.6226 . . 1 . . . . . 3 CYS CA . 51951 1 32 . 1 . 1 3 3 CYS CB C 13 30.6869 . . 1 . . . . . 3 CYS CB . 51951 1 33 . 1 . 1 3 3 CYS N N 15 127.0304 . . 1 . . . . . 3 CYS N . 51951 1 34 . 1 . 1 4 4 PHE H H 1 8.3605 . . 1 . . . . . 4 PHE HN . 51951 1 35 . 1 . 1 4 4 PHE HA H 1 4.7192 . . 1 . . . . . 4 PHE HA . 51951 1 36 . 1 . 1 4 4 PHE HB2 H 1 3.3267 . . 2 . . . . . 4 PHE HB# . 51951 1 37 . 1 . 1 4 4 PHE HB3 H 1 3.3267 . . 2 . . . . . 4 PHE HB# . 51951 1 38 . 1 . 1 4 4 PHE HD1 H 1 7.4460 . . 3 . . . . . 4 PHE HD# . 51951 1 39 . 1 . 1 4 4 PHE HD2 H 1 7.4460 . . 3 . . . . . 4 PHE HD# . 51951 1 40 . 1 . 1 4 4 PHE HE1 H 1 7.3616 . . 3 . . . . . 4 PHE HE# . 51951 1 41 . 1 . 1 4 4 PHE HE2 H 1 7.3616 . . 3 . . . . . 4 PHE HE# . 51951 1 42 . 1 . 1 4 4 PHE HZ H 1 7.2797 . . 1 . . . . . 4 PHE HZ . 51951 1 43 . 1 . 1 4 4 PHE CA C 13 59.1061 . . 1 . . . . . 4 PHE CA . 51951 1 44 . 1 . 1 4 4 PHE CB C 13 39.1170 . . 1 . . . . . 4 PHE CB . 51951 1 45 . 1 . 1 4 4 PHE CD2 C 13 131.9633 . . 3 . . . . . 4 PHE CD2 . 51951 1 46 . 1 . 1 4 4 PHE CE1 C 13 131.6765 . . 3 . . . . . 4 PHE CE1 . 51951 1 47 . 1 . 1 4 4 PHE CZ C 13 130.1897 . . 1 . . . . . 4 PHE CZ . 51951 1 48 . 1 . 1 4 4 PHE N N 15 125.0221 . . 1 . . . . . 4 PHE N . 51951 1 49 . 1 . 1 5 5 GLN H H 1 9.7156 . . 1 . . . . . 5 GLN HN . 51951 1 50 . 1 . 1 5 5 GLN HA H 1 4.6061 . . 1 . . . . . 5 GLN HA . 51951 1 51 . 1 . 1 5 5 GLN HB2 H 1 2.0839 . . 2 . . . . . 5 GLN HB# . 51951 1 52 . 1 . 1 5 5 GLN HB3 H 1 2.0839 . . 2 . . . . . 5 GLN HB# . 51951 1 53 . 1 . 1 5 5 GLN HG2 H 1 2.0533 . . 2 . . . . . 5 GLN HG1 . 51951 1 54 . 1 . 1 5 5 GLN HG3 H 1 2.2428 . . 2 . . . . . 5 GLN HG2 . 51951 1 55 . 1 . 1 5 5 GLN HE21 H 1 7.5056 . . 2 . . . . . 5 GLN HE21 . 51951 1 56 . 1 . 1 5 5 GLN HE22 H 1 6.9118 . . 2 . . . . . 5 GLN HE22 . 51951 1 57 . 1 . 1 5 5 GLN CA C 13 55.6307 . . 1 . . . . . 5 GLN CA . 51951 1 58 . 1 . 1 5 5 GLN CB C 13 31.1253 . . 1 . . . . . 5 GLN CB . 51951 1 59 . 1 . 1 5 5 GLN CG C 13 34.0612 . . 1 . . . . . 5 GLN CG . 51951 1 60 . 1 . 1 5 5 GLN N N 15 121.3173 . . 1 . . . . . 5 GLN N . 51951 1 61 . 1 . 1 5 5 GLN NE2 N 15 111.9214 . . 1 . . . . . 5 GLN NE2 . 51951 1 62 . 1 . 1 6 6 CYS H H 1 8.0596 . . 1 . . . . . 6 CYS HN . 51951 1 63 . 1 . 1 6 6 CYS HA H 1 5.1235 . . 1 . . . . . 6 CYS HA . 51951 1 64 . 1 . 1 6 6 CYS HB2 H 1 3.4400 . . 1 . . . . . 6 CYS HB1 . 51951 1 65 . 1 . 1 6 6 CYS HB3 H 1 2.8419 . . 1 . . . . . 6 CYS HB2 . 51951 1 66 . 1 . 1 6 6 CYS CA C 13 58.3876 . . 1 . . . . . 6 CYS CA . 51951 1 67 . 1 . 1 6 6 CYS CB C 13 30.6221 . . 1 . . . . . 6 CYS CB . 51951 1 68 . 1 . 1 6 6 CYS N N 15 124.3626 . . 1 . . . . . 6 CYS N . 51951 1 69 . 1 . 1 7 7 PRO HA H 1 4.5533 . . 1 . . . . . 7 PRO HA . 51951 1 70 . 1 . 1 7 7 PRO HB2 H 1 2.4156 . . 2 . . . . . 7 PRO HB# . 51951 1 71 . 1 . 1 7 7 PRO HB3 H 1 2.4156 . . 2 . . . . . 7 PRO HB# . 51951 1 72 . 1 . 1 7 7 PRO HG2 H 1 1.9645 . . 2 . . . . . 7 PRO HG1 . 51951 1 73 . 1 . 1 7 7 PRO HG3 H 1 2.0442 . . 2 . . . . . 7 PRO HG2 . 51951 1 74 . 1 . 1 7 7 PRO HD2 H 1 3.6302 . . 2 . . . . . 7 PRO HD1 . 51951 1 75 . 1 . 1 7 7 PRO HD3 H 1 3.8659 . . 2 . . . . . 7 PRO HD2 . 51951 1 76 . 1 . 1 7 7 PRO CA C 13 64.1498 . . 1 . . . . . 7 PRO CA . 51951 1 77 . 1 . 1 7 7 PRO CB C 13 32.3783 . . 1 . . . . . 7 PRO CB . 51951 1 78 . 1 . 1 7 7 PRO CG C 13 27.5775 . . 1 . . . . . 7 PRO CG . 51951 1 79 . 1 . 1 7 7 PRO CD C 13 51.0382 . . 1 . . . . . 7 PRO CD . 51951 1 80 . 1 . 1 8 8 PHE H H 1 9.1422 . . 1 . . . . . 8 PHE HN . 51951 1 81 . 1 . 1 8 8 PHE HA H 1 4.1654 . . 1 . . . . . 8 PHE HA . 51951 1 82 . 1 . 1 8 8 PHE HB2 H 1 2.8726 . . 1 . . . . . 8 PHE HB1 . 51951 1 83 . 1 . 1 8 8 PHE HB3 H 1 2.2880 . . 1 . . . . . 8 PHE HB2 . 51951 1 84 . 1 . 1 8 8 PHE HD1 H 1 6.7077 . . 3 . . . . . 8 PHE HD# . 51951 1 85 . 1 . 1 8 8 PHE HD2 H 1 6.7077 . . 3 . . . . . 8 PHE HD# . 51951 1 86 . 1 . 1 8 8 PHE HE1 H 1 7.1808 . . 3 . . . . . 8 PHE HE# . 51951 1 87 . 1 . 1 8 8 PHE HE2 H 1 7.1808 . . 3 . . . . . 8 PHE HE# . 51951 1 88 . 1 . 1 8 8 PHE HZ H 1 7.0137 . . 1 . . . . . 8 PHE HZ . 51951 1 89 . 1 . 1 8 8 PHE CA C 13 51.8304 . . 1 . . . . . 8 PHE CA . 51951 1 90 . 1 . 1 8 8 PHE CB C 13 40.4513 . . 1 . . . . . 8 PHE CB . 51951 1 91 . 1 . 1 8 8 PHE CD2 C 13 131.4565 . . 3 . . . . . 8 PHE CD2 . 51951 1 92 . 1 . 1 8 8 PHE CE2 C 13 130.6457 . . 3 . . . . . 8 PHE CE2 . 51951 1 93 . 1 . 1 8 8 PHE CZ C 13 129.5816 . . 1 . . . . . 8 PHE CZ . 51951 1 94 . 1 . 1 8 8 PHE N N 15 124.5137 . . 1 . . . . . 8 PHE N . 51951 1 95 . 1 . 1 9 9 THR H H 1 7.1292 . . 1 . . . . . 9 THR HN . 51951 1 96 . 1 . 1 9 9 THR HA H 1 4.0183 . . 1 . . . . . 9 THR HA . 51951 1 97 . 1 . 1 9 9 THR HB H 1 4.0711 . . 1 . . . . . 9 THR HB . 51951 1 98 . 1 . 1 9 9 THR HG21 H 1 1.1302 . . 1 . . . . . 9 THR HG2# . 51951 1 99 . 1 . 1 9 9 THR HG22 H 1 1.1302 . . 1 . . . . . 9 THR HG2# . 51951 1 100 . 1 . 1 9 9 THR HG23 H 1 1.1302 . . 1 . . . . . 9 THR HG2# . 51951 1 101 . 1 . 1 9 9 THR CA C 13 61.8115 . . 1 . . . . . 9 THR CA . 51951 1 102 . 1 . 1 9 9 THR CB C 13 72.5191 . . 1 . . . . . 9 THR CB . 51951 1 103 . 1 . 1 9 9 THR CG2 C 13 21.0815 . . 1 . . . . . 9 THR CG2 . 51951 1 104 . 1 . 1 9 9 THR N N 15 107.0627 . . 1 . . . . . 9 THR N . 51951 1 105 . 1 . 1 10 10 CYS H H 1 8.4434 . . 1 . . . . . 10 CYS HN . 51951 1 106 . 1 . 1 10 10 CYS HA H 1 4.7902 . . 1 . . . . . 10 CYS HA . 51951 1 107 . 1 . 1 10 10 CYS HB2 H 1 3.3473 . . 1 . . . . . 10 CYS HB1 . 51951 1 108 . 1 . 1 10 10 CYS HB3 H 1 2.8076 . . 1 . . . . . 10 CYS HB2 . 51951 1 109 . 1 . 1 10 10 CYS CA C 13 55.0420 . . 1 . . . . . 10 CYS CA . 51951 1 110 . 1 . 1 10 10 CYS CB C 13 30.7250 . . 1 . . . . . 10 CYS CB . 51951 1 111 . 1 . 1 10 10 CYS N N 15 113.9610 . . 1 . . . . . 10 CYS N . 51951 1 112 . 1 . 1 11 11 ASN H H 1 8.4863 . . 1 . . . . . 11 ASN HN . 51951 1 113 . 1 . 1 11 11 ASN HA H 1 4.7585 . . 1 . . . . . 11 ASN HA . 51951 1 114 . 1 . 1 11 11 ASN HB2 H 1 2.8379 . . 1 . . . . . 11 ASN HB1 . 51951 1 115 . 1 . 1 11 11 ASN HB3 H 1 2.7633 . . 1 . . . . . 11 ASN HB2 . 51951 1 116 . 1 . 1 11 11 ASN HD21 H 1 6.9664 . . 2 . . . . . 11 ASN HD21 . 51951 1 117 . 1 . 1 11 11 ASN HD22 H 1 7.7460 . . 2 . . . . . 11 ASN HD22 . 51951 1 118 . 1 . 1 11 11 ASN CA C 13 57.6839 . . 1 . . . . . 11 ASN CA . 51951 1 119 . 1 . 1 11 11 ASN CB C 13 41.9074 . . 1 . . . . . 11 ASN CB . 51951 1 120 . 1 . 1 11 11 ASN N N 15 121.6200 . . 1 . . . . . 11 ASN N . 51951 1 121 . 1 . 1 11 11 ASN ND2 N 15 112.6193 . . 1 . . . . . 11 ASN ND2 . 51951 1 122 . 1 . 1 12 12 GLU H H 1 7.5996 . . 1 . . . . . 12 GLU HN . 51951 1 123 . 1 . 1 12 12 GLU HA H 1 4.7886 . . 1 . . . . . 12 GLU HA . 51951 1 124 . 1 . 1 12 12 GLU HB2 H 1 1.9137 . . 1 . . . . . 12 GLU HB1 . 51951 1 125 . 1 . 1 12 12 GLU HB3 H 1 1.4949 . . 1 . . . . . 12 GLU HB2 . 51951 1 126 . 1 . 1 12 12 GLU HG2 H 1 2.1981 . . 2 . . . . . 12 GLU HG1 . 51951 1 127 . 1 . 1 12 12 GLU HG3 H 1 2.1631 . . 2 . . . . . 12 GLU HG2 . 51951 1 128 . 1 . 1 12 12 GLU CA C 13 56.2860 . . 1 . . . . . 12 GLU CA . 51951 1 129 . 1 . 1 12 12 GLU CB C 13 32.1090 . . 1 . . . . . 12 GLU CB . 51951 1 130 . 1 . 1 12 12 GLU CG C 13 35.9875 . . 1 . . . . . 12 GLU CG . 51951 1 131 . 1 . 1 12 12 GLU N N 15 117.9995 . . 1 . . . . . 12 GLU N . 51951 1 132 . 1 . 1 13 13 LYS H H 1 8.9579 . . 1 . . . . . 13 LYS HN . 51951 1 133 . 1 . 1 13 13 LYS HA H 1 2.8830 . . 1 . . . . . 13 LYS HA . 51951 1 134 . 1 . 1 13 13 LYS HB2 H 1 1.3806 . . 1 . . . . . 13 LYS HB1 . 51951 1 135 . 1 . 1 13 13 LYS HB3 H 1 1.4733 . . 1 . . . . . 13 LYS HB2 . 51951 1 136 . 1 . 1 13 13 LYS HG2 H 1 0.9009 . . 2 . . . . . 13 LYS HG1 . 51951 1 137 . 1 . 1 13 13 LYS HG3 H 1 0.9816 . . 2 . . . . . 13 LYS HG2 . 51951 1 138 . 1 . 1 13 13 LYS CA C 13 60.2787 . . 1 . . . . . 13 LYS CA . 51951 1 139 . 1 . 1 13 13 LYS CB C 13 32.0202 . . 1 . . . . . 13 LYS CB . 51951 1 140 . 1 . 1 13 13 LYS CG C 13 25.1559 . . 1 . . . . . 13 LYS CG . 51951 1 141 . 1 . 1 13 13 LYS N N 15 128.0634 . . 1 . . . . . 13 LYS N . 51951 1 142 . 1 . 1 14 14 SER H H 1 8.8930 . . 1 . . . . . 14 SER HN . 51951 1 143 . 1 . 1 14 14 SER HA H 1 4.1907 . . 1 . . . . . 14 SER HA . 51951 1 144 . 1 . 1 14 14 SER HB2 H 1 3.9539 . . 1 . . . . . 14 SER HB1 . 51951 1 145 . 1 . 1 14 14 SER HB3 H 1 4.0600 . . 1 . . . . . 14 SER HB2 . 51951 1 146 . 1 . 1 14 14 SER CA C 13 61.2157 . . 1 . . . . . 14 SER CA . 51951 1 147 . 1 . 1 14 14 SER CB C 13 63.7942 . . 1 . . . . . 14 SER CB . 51951 1 148 . 1 . 1 14 14 SER N N 15 114.0491 . . 1 . . . . . 14 SER N . 51951 1 149 . 1 . 1 15 15 HIS H H 1 7.3312 . . 1 . . . . . 15 HIS HN . 51951 1 150 . 1 . 1 15 15 HIS HA H 1 4.8658 . . 1 . . . . . 15 HIS HA . 51951 1 151 . 1 . 1 15 15 HIS HB2 H 1 3.7194 . . 1 . . . . . 15 HIS HB1 . 51951 1 152 . 1 . 1 15 15 HIS HB3 H 1 3.4712 . . 1 . . . . . 15 HIS HB2 . 51951 1 153 . 1 . 1 15 15 HIS HD2 H 1 7.2700 . . 1 . . . . . 15 HIS HD2 . 51951 1 154 . 1 . 1 15 15 HIS HE1 H 1 8.1302 . . 1 . . . . . 15 HIS HE1 . 51951 1 155 . 1 . 1 15 15 HIS CA C 13 58.9393 . . 1 . . . . . 15 HIS CA . 51951 1 156 . 1 . 1 15 15 HIS CB C 13 30.7164 . . 1 . . . . . 15 HIS CB . 51951 1 157 . 1 . 1 15 15 HIS CD2 C 13 118.1393 . . 1 . . . . . 15 HIS CD2 . 51951 1 158 . 1 . 1 15 15 HIS CE1 C 13 138.3740 . . 1 . . . . . 15 HIS CE1 . 51951 1 159 . 1 . 1 15 15 HIS N N 15 120.9772 . . 1 . . . . . 15 HIS N . 51951 1 160 . 1 . 1 16 16 LEU H H 1 7.5017 . . 1 . . . . . 16 LEU HN . 51951 1 161 . 1 . 1 16 16 LEU HA H 1 4.3857 . . 1 . . . . . 16 LEU HA . 51951 1 162 . 1 . 1 16 16 LEU HB2 H 1 1.3408 . . 1 . . . . . 16 LEU HB1 . 51951 1 163 . 1 . 1 16 16 LEU HB3 H 1 1.9610 . . 1 . . . . . 16 LEU HB2 . 51951 1 164 . 1 . 1 16 16 LEU HG H 1 1.6752 . . 1 . . . . . 16 LEU HG . 51951 1 165 . 1 . 1 16 16 LEU HD11 H 1 0.9742 . . 2 . . . . . 16 LEU HD1# . 51951 1 166 . 1 . 1 16 16 LEU HD12 H 1 0.9742 . . 2 . . . . . 16 LEU HD1# . 51951 1 167 . 1 . 1 16 16 LEU HD13 H 1 0.9742 . . 2 . . . . . 16 LEU HD1# . 51951 1 168 . 1 . 1 16 16 LEU HD21 H 1 0.9768 . . 2 . . . . . 16 LEU HD2# . 51951 1 169 . 1 . 1 16 16 LEU HD22 H 1 0.9768 . . 2 . . . . . 16 LEU HD2# . 51951 1 170 . 1 . 1 16 16 LEU HD23 H 1 0.9768 . . 2 . . . . . 16 LEU HD2# . 51951 1 171 . 1 . 1 16 16 LEU CA C 13 57.8284 . . 1 . . . . . 16 LEU CA . 51951 1 172 . 1 . 1 16 16 LEU CB C 13 41.1691 . . 1 . . . . . 16 LEU CB . 51951 1 173 . 1 . 1 16 16 LEU CG C 13 27.2747 . . 1 . . . . . 16 LEU CG . 51951 1 174 . 1 . 1 16 16 LEU CD1 C 13 20.9603 . . 2 . . . . . 16 LEU CD1 . 51951 1 175 . 1 . 1 16 16 LEU CD2 C 13 22.7132 . . 2 . . . . . 16 LEU CD2 . 51951 1 176 . 1 . 1 16 16 LEU N N 15 125.1888 . . 1 . . . . . 16 LEU N . 51951 1 177 . 1 . 1 17 17 PHE H H 1 8.1213 . . 1 . . . . . 17 PHE HN . 51951 1 178 . 1 . 1 17 17 PHE HA H 1 4.3200 . . 1 . . . . . 17 PHE HA . 51951 1 179 . 1 . 1 17 17 PHE HB2 H 1 3.2479 . . 1 . . . . . 17 PHE HB1 . 51951 1 180 . 1 . 1 17 17 PHE HB3 H 1 3.1639 . . 1 . . . . . 17 PHE HB2 . 51951 1 181 . 1 . 1 17 17 PHE HD1 H 1 7.2936 . . 3 . . . . . 17 PHE HD# . 51951 1 182 . 1 . 1 17 17 PHE HD2 H 1 7.2936 . . 3 . . . . . 17 PHE HD# . 51951 1 183 . 1 . 1 17 17 PHE HE1 H 1 7.1205 . . 3 . . . . . 17 PHE HE# . 51951 1 184 . 1 . 1 17 17 PHE HE2 H 1 7.1205 . . 3 . . . . . 17 PHE HE# . 51951 1 185 . 1 . 1 17 17 PHE HZ H 1 6.8944 . . 1 . . . . . 17 PHE HZ . 51951 1 186 . 1 . 1 17 17 PHE CA C 13 60.5803 . . 1 . . . . . 17 PHE CA . 51951 1 187 . 1 . 1 17 17 PHE CB C 13 38.1016 . . 1 . . . . . 17 PHE CB . 51951 1 188 . 1 . 1 17 17 PHE CD1 C 13 131.6485 . . 3 . . . . . 17 PHE CD1 . 51951 1 189 . 1 . 1 17 17 PHE CE1 C 13 133.3382 . . 3 . . . . . 17 PHE CE1 . 51951 1 190 . 1 . 1 17 17 PHE CZ C 13 127.2466 . . 1 . . . . . 17 PHE CZ . 51951 1 191 . 1 . 1 17 17 PHE N N 15 119.7943 . . 1 . . . . . 17 PHE N . 51951 1 192 . 1 . 1 18 18 ASN H H 1 8.1927 . . 1 . . . . . 18 ASN HN . 51951 1 193 . 1 . 1 18 18 ASN HA H 1 4.4459 . . 1 . . . . . 18 ASN HA . 51951 1 194 . 1 . 1 18 18 ASN HB2 H 1 2.8797 . . 2 . . . . . 18 ASN HB1 . 51951 1 195 . 1 . 1 18 18 ASN HB3 H 1 2.9731 . . 2 . . . . . 18 ASN HB2 . 51951 1 196 . 1 . 1 18 18 ASN HD21 H 1 7.8577 . . 2 . . . . . 18 ASN HD21 . 51951 1 197 . 1 . 1 18 18 ASN HD22 H 1 6.9048 . . 2 . . . . . 18 ASN HD22 . 51951 1 198 . 1 . 1 18 18 ASN CA C 13 56.5002 . . 1 . . . . . 18 ASN CA . 51951 1 199 . 1 . 1 18 18 ASN CB C 13 42.0583 . . 1 . . . . . 18 ASN CB . 51951 1 200 . 1 . 1 18 18 ASN N N 15 117.7842 . . 1 . . . . . 18 ASN N . 51951 1 201 . 1 . 1 18 18 ASN ND2 N 15 111.6425 . . 1 . . . . . 18 ASN ND2 . 51951 1 202 . 1 . 1 19 19 HIS H H 1 7.8260 . . 1 . . . . . 19 HIS HN . 51951 1 203 . 1 . 1 19 19 HIS HA H 1 3.9851 . . 1 . . . . . 19 HIS HA . 51951 1 204 . 1 . 1 19 19 HIS HB2 H 1 2.5453 . . 1 . . . . . 19 HIS HB1 . 51951 1 205 . 1 . 1 19 19 HIS HB3 H 1 3.3433 . . 1 . . . . . 19 HIS HB2 . 51951 1 206 . 1 . 1 19 19 HIS HD2 H 1 6.8873 . . 1 . . . . . 19 HIS HD2 . 51951 1 207 . 1 . 1 19 19 HIS HE1 H 1 7.5545 . . 1 . . . . . 19 HIS HE1 . 51951 1 208 . 1 . 1 19 19 HIS CA C 13 59.6534 . . 1 . . . . . 19 HIS CA . 51951 1 209 . 1 . 1 19 19 HIS CB C 13 28.3598 . . 1 . . . . . 19 HIS CB . 51951 1 210 . 1 . 1 19 19 HIS CD2 C 13 119.6220 . . 1 . . . . . 19 HIS CD2 . 51951 1 211 . 1 . 1 19 19 HIS CE1 C 13 138.9035 . . 1 . . . . . 19 HIS CE1 . 51951 1 212 . 1 . 1 19 19 HIS N N 15 119.6922 . . 1 . . . . . 19 HIS N . 51951 1 213 . 1 . 1 20 20 MET H H 1 8.0260 . . 1 . . . . . 20 MET HN . 51951 1 214 . 1 . 1 20 20 MET HA H 1 4.0960 . . 1 . . . . . 20 MET HA . 51951 1 215 . 1 . 1 20 20 MET HB2 H 1 2.0887 . . 1 . . . . . 20 MET HB1 . 51951 1 216 . 1 . 1 20 20 MET HB3 H 1 2.1249 . . 1 . . . . . 20 MET HB2 . 51951 1 217 . 1 . 1 20 20 MET HG2 H 1 2.7902 . . 2 . . . . . 20 MET HG1 . 51951 1 218 . 1 . 1 20 20 MET HG3 H 1 2.8370 . . 2 . . . . . 20 MET HG2 . 51951 1 219 . 1 . 1 20 20 MET HE1 H 1 2.1098 . . 1 . . . . . 20 MET HE# . 51951 1 220 . 1 . 1 20 20 MET HE2 H 1 2.1098 . . 1 . . . . . 20 MET HE# . 51951 1 221 . 1 . 1 20 20 MET HE3 H 1 2.1098 . . 1 . . . . . 20 MET HE# . 51951 1 222 . 1 . 1 20 20 MET CA C 13 57.5776 . . 1 . . . . . 20 MET CA . 51951 1 223 . 1 . 1 20 20 MET CB C 13 32.5132 . . 1 . . . . . 20 MET CB . 51951 1 224 . 1 . 1 20 20 MET CG C 13 31.9732 . . 1 . . . . . 20 MET CG . 51951 1 225 . 1 . 1 20 20 MET CE C 13 16.5391 . . 1 . . . . . 20 MET CE . 51951 1 226 . 1 . 1 20 20 MET N N 15 115.9025 . . 1 . . . . . 20 MET N . 51951 1 227 . 1 . 1 21 21 LYS H H 1 7.9907 . . 1 . . . . . 21 LYS HN . 51951 1 228 . 1 . 1 21 21 LYS HA H 1 3.8318 . . 1 . . . . . 21 LYS HA . 51951 1 229 . 1 . 1 21 21 LYS HB2 H 1 1.3264 . . 1 . . . . . 21 LYS HB1 . 51951 1 230 . 1 . 1 21 21 LYS HB3 H 1 1.2195 . . 1 . . . . . 21 LYS HB2 . 51951 1 231 . 1 . 1 21 21 LYS HG2 H 1 1.4530 . . 2 . . . . . 21 LYS HG1 . 51951 1 232 . 1 . 1 21 21 LYS HG3 H 1 1.4514 . . 2 . . . . . 21 LYS HG2 . 51951 1 233 . 1 . 1 21 21 LYS HD2 H 1 0.9095 . . 2 . . . . . 21 LYS HD1 . 51951 1 234 . 1 . 1 21 21 LYS HD3 H 1 0.5616 . . 2 . . . . . 21 LYS HD2 . 51951 1 235 . 1 . 1 21 21 LYS HE2 H 1 2.7932 . . 1 . . . . . 21 LYS HE# . 51951 1 236 . 1 . 1 21 21 LYS HE3 H 1 2.7932 . . 1 . . . . . 21 LYS HE# . 51951 1 237 . 1 . 1 21 21 LYS CA C 13 58.7309 . . 1 . . . . . 21 LYS CA . 51951 1 238 . 1 . 1 21 21 LYS CB C 13 33.0907 . . 1 . . . . . 21 LYS CB . 51951 1 239 . 1 . 1 21 21 LYS CG C 13 24.9583 . . 1 . . . . . 21 LYS CG . 51951 1 240 . 1 . 1 21 21 LYS CD C 13 24.5310 . . 1 . . . . . 21 LYS CD . 51951 1 241 . 1 . 1 21 21 LYS CE C 13 41.8900 . . 1 . . . . . 21 LYS CE . 51951 1 242 . 1 . 1 21 21 LYS N N 15 119.8227 . . 1 . . . . . 21 LYS N . 51951 1 243 . 1 . 1 22 22 TYR H H 1 7.8285 . . 1 . . . . . 22 TYR HN . 51951 1 244 . 1 . 1 22 22 TYR HA H 1 4.6541 . . 1 . . . . . 22 TYR HA . 51951 1 245 . 1 . 1 22 22 TYR HB2 H 1 2.7279 . . 1 . . . . . 22 TYR HB1 . 51951 1 246 . 1 . 1 22 22 TYR HB3 H 1 3.2946 . . 1 . . . . . 22 TYR HB2 . 51951 1 247 . 1 . 1 22 22 TYR HD1 H 1 7.2247 . . 3 . . . . . 22 TYR HD# . 51951 1 248 . 1 . 1 22 22 TYR HD2 H 1 7.2247 . . 3 . . . . . 22 TYR HD# . 51951 1 249 . 1 . 1 22 22 TYR HE1 H 1 6.8372 . . 3 . . . . . 22 TYR HE# . 51951 1 250 . 1 . 1 22 22 TYR HE2 H 1 6.8372 . . 3 . . . . . 22 TYR HE# . 51951 1 251 . 1 . 1 22 22 TYR CA C 13 57.8403 . . 1 . . . . . 22 TYR CA . 51951 1 252 . 1 . 1 22 22 TYR CB C 13 39.1528 . . 1 . . . . . 22 TYR CB . 51951 1 253 . 1 . 1 22 22 TYR CD1 C 13 133.4194 . . 3 . . . . . 22 TYR CD1 . 51951 1 254 . 1 . 1 22 22 TYR CE2 C 13 118.0786 . . 3 . . . . . 22 TYR CE2 . 51951 1 255 . 1 . 1 22 22 TYR N N 15 114.1640 . . 1 . . . . . 22 TYR N . 51951 1 256 . 1 . 1 23 23 GLY H H 1 7.6194 . . 1 . . . . . 23 GLY HN . 51951 1 257 . 1 . 1 23 23 GLY HA2 H 1 4.0368 . . 1 . . . . . 23 GLY HA1 . 51951 1 258 . 1 . 1 23 23 GLY HA3 H 1 3.7193 . . 1 . . . . . 23 GLY HA2 . 51951 1 259 . 1 . 1 23 23 GLY CA C 13 46.4189 . . 1 . . . . . 23 GLY CA . 51951 1 260 . 1 . 1 23 23 GLY N N 15 108.0656 . . 1 . . . . . 23 GLY N . 51951 1 261 . 1 . 1 24 24 LEU H H 1 7.9033 . . 1 . . . . . 24 LEU HN . 51951 1 262 . 1 . 1 24 24 LEU HA H 1 4.2306 . . 1 . . . . . 24 LEU HA . 51951 1 263 . 1 . 1 24 24 LEU HB2 H 1 1.6213 . . 2 . . . . . 24 LEU HB# . 51951 1 264 . 1 . 1 24 24 LEU HB3 H 1 1.6213 . . 2 . . . . . 24 LEU HB# . 51951 1 265 . 1 . 1 24 24 LEU HG H 1 1.5487 . . 1 . . . . . 24 LEU HG . 51951 1 266 . 1 . 1 24 24 LEU HD11 H 1 0.9233 . . 2 . . . . . 24 LEU HD1# . 51951 1 267 . 1 . 1 24 24 LEU HD12 H 1 0.9233 . . 2 . . . . . 24 LEU HD1# . 51951 1 268 . 1 . 1 24 24 LEU HD13 H 1 0.9233 . . 2 . . . . . 24 LEU HD1# . 51951 1 269 . 1 . 1 24 24 LEU HD21 H 1 0.8315 . . 2 . . . . . 24 LEU HD2# . 51951 1 270 . 1 . 1 24 24 LEU HD22 H 1 0.8315 . . 2 . . . . . 24 LEU HD2# . 51951 1 271 . 1 . 1 24 24 LEU HD23 H 1 0.8315 . . 2 . . . . . 24 LEU HD2# . 51951 1 272 . 1 . 1 24 24 LEU CA C 13 55.3237 . . 1 . . . . . 24 LEU CA . 51951 1 273 . 1 . 1 24 24 LEU CB C 13 42.1234 . . 1 . . . . . 24 LEU CB . 51951 1 274 . 1 . 1 24 24 LEU CG C 13 27.0561 . . 1 . . . . . 24 LEU CG . 51951 1 275 . 1 . 1 24 24 LEU CD1 C 13 25.2772 . . 2 . . . . . 24 LEU CD1 . 51951 1 276 . 1 . 1 24 24 LEU CD2 C 13 22.9862 . . 2 . . . . . 24 LEU CD2 . 51951 1 277 . 1 . 1 24 24 LEU N N 15 118.2859 . . 1 . . . . . 24 LEU N . 51951 1 278 . 1 . 1 25 25 CYS H H 1 7.7524 . . 1 . . . . . 25 CYS HN . 51951 1 279 . 1 . 1 25 25 CYS HA H 1 4.3804 . . 1 . . . . . 25 CYS HA . 51951 1 280 . 1 . 1 25 25 CYS HB2 H 1 2.7577 . . 1 . . . . . 25 CYS HB1 . 51951 1 281 . 1 . 1 25 25 CYS HB3 H 1 2.5849 . . 1 . . . . . 25 CYS HB2 . 51951 1 282 . 1 . 1 25 25 CYS CA C 13 58.3810 . . 1 . . . . . 25 CYS CA . 51951 1 283 . 1 . 1 25 25 CYS CB C 13 30.0941 . . 1 . . . . . 25 CYS CB . 51951 1 284 . 1 . 1 25 25 CYS N N 15 112.7900 . . 1 . . . . . 25 CYS N . 51951 1 285 . 1 . 1 26 26 LYS H H 1 8.1689 . . 1 . . . . . 26 LYS HN . 51951 1 286 . 1 . 1 26 26 LYS HA H 1 4.3157 . . 1 . . . . . 26 LYS HA . 51951 1 287 . 1 . 1 26 26 LYS HB2 H 1 1.8396 . . 1 . . . . . 26 LYS HB1 . 51951 1 288 . 1 . 1 26 26 LYS HB3 H 1 1.8086 . . 1 . . . . . 26 LYS HB2 . 51951 1 289 . 1 . 1 26 26 LYS HG2 H 1 1.4089 . . 2 . . . . . 26 LYS HG1 . 51951 1 290 . 1 . 1 26 26 LYS HG3 H 1 1.4334 . . 2 . . . . . 26 LYS HG2 . 51951 1 291 . 1 . 1 26 26 LYS HD2 H 1 1.6969 . . 2 . . . . . 26 LYS HD1 . 51951 1 292 . 1 . 1 26 26 LYS HD3 H 1 1.4523 . . 2 . . . . . 26 LYS HD2 . 51951 1 293 . 1 . 1 26 26 LYS CA C 13 56.7173 . . 1 . . . . . 26 LYS CA . 51951 1 294 . 1 . 1 26 26 LYS CB C 13 33.0527 . . 1 . . . . . 26 LYS CB . 51951 1 295 . 1 . 1 26 26 LYS CG C 13 24.6737 . . 1 . . . . . 26 LYS CG . 51951 1 296 . 1 . 1 26 26 LYS CD C 13 29.2161 . . 1 . . . . . 26 LYS CD . 51951 1 297 . 1 . 1 26 26 LYS N N 15 123.1281 . . 1 . . . . . 26 LYS N . 51951 1 298 . 1 . 1 27 27 ASN H H 1 8.4143 . . 1 . . . . . 27 ASN HN . 51951 1 299 . 1 . 1 27 27 ASN HA H 1 4.7066 . . 1 . . . . . 27 ASN HA . 51951 1 300 . 1 . 1 27 27 ASN HB2 H 1 2.7652 . . 2 . . . . . 27 ASN HB1 . 51951 1 301 . 1 . 1 27 27 ASN HB3 H 1 2.9145 . . 2 . . . . . 27 ASN HB2 . 51951 1 302 . 1 . 1 27 27 ASN HD21 H 1 7.7530 . . 2 . . . . . 27 ASN HD21 . 51951 1 303 . 1 . 1 27 27 ASN HD22 H 1 7.0408 . . 2 . . . . . 27 ASN HD22 . 51951 1 304 . 1 . 1 27 27 ASN CA C 13 53.1286 . . 1 . . . . . 27 ASN CA . 51951 1 305 . 1 . 1 27 27 ASN CB C 13 40.7854 . . 1 . . . . . 27 ASN CB . 51951 1 306 . 1 . 1 27 27 ASN N N 15 119.9002 . . 1 . . . . . 27 ASN N . 51951 1 307 . 1 . 1 27 27 ASN ND2 N 15 112.6808 . . 1 . . . . . 27 ASN ND2 . 51951 1 stop_ save_