################################### # 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 30870 _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 '3D 1H-15N NOESY' . . . 30870 1 2 '3D 1H-13C NOESY' . . . 30870 1 3 '3D HNCO' . . . 30870 1 4 '3D HNCACB' . . . 30870 1 5 '3D C(CO)NH' . . . 30870 1 6 '3D CBCA(CO)NH' . . . 30870 1 7 '3D H(CCO)NH' . . . 30870 1 8 '2D 1H-15N HSQC' . . . 30870 1 9 '2D 1H-13C HSQC aliphatic' . . . 30870 1 10 '2D 1H-13C HSQC aromatic' . . . 30870 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'all 15N' . -0.63 . 30870 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 MET HA H 1 4.2700 0.0000 . 1 . . . . A 1 MET HA . 30870 1 2 . 1 . 1 1 1 MET HB2 H 1 2.2840 0.0000 . 2 . . . . A 1 MET HB2 . 30870 1 3 . 1 . 1 1 1 MET HG2 H 1 3.2160 0.0000 . 2 . . . . A 1 MET HG2 . 30870 1 4 . 1 . 1 1 1 MET CA C 13 56.9680 0.0000 . 1 . . . . A 1 MET CA . 30870 1 5 . 1 . 1 1 1 MET CB C 13 30.4967 0.0000 . 1 . . . . A 1 MET CB . 30870 1 6 . 1 . 1 1 1 MET CG C 13 36.2910 0.0000 . 1 . . . . A 1 MET CG . 30870 1 7 . 1 . 1 2 2 ARG H H 1 8.3346 0.0000 . 1 . . . . A 2 ARG H . 30870 1 8 . 1 . 1 2 2 ARG HA H 1 4.3480 0.0000 . 1 . . . . A 2 ARG HA . 30870 1 9 . 1 . 1 2 2 ARG HB2 H 1 1.8820 0.0000 . 2 . . . . A 2 ARG HB2 . 30870 1 10 . 1 . 1 2 2 ARG HG2 H 1 1.6830 0.0000 . 2 . . . . A 2 ARG HG2 . 30870 1 11 . 1 . 1 2 2 ARG HD2 H 1 3.2170 0.0000 . 2 . . . . A 2 ARG HD2 . 30870 1 12 . 1 . 1 2 2 ARG CA C 13 56.4864 0.0000 . 1 . . . . A 2 ARG CA . 30870 1 13 . 1 . 1 2 2 ARG CB C 13 30.6581 0.0000 . 1 . . . . A 2 ARG CB . 30870 1 14 . 1 . 1 2 2 ARG CG C 13 27.1660 0.0000 . 1 . . . . A 2 ARG CG . 30870 1 15 . 1 . 1 2 2 ARG CD C 13 43.3650 0.0000 . 1 . . . . A 2 ARG CD . 30870 1 16 . 1 . 1 2 2 ARG N N 15 121.4934 0.0000 . 1 . . . . A 2 ARG N . 30870 1 17 . 1 . 1 3 3 GLY H H 1 8.5626 0.0000 . 1 . . . . A 3 GLY H . 30870 1 18 . 1 . 1 3 3 GLY HA2 H 1 3.9840 0.0000 . 2 . . . . A 3 GLY HA2 . 30870 1 19 . 1 . 1 3 3 GLY CA C 13 45.2755 0.0000 . 1 . . . . A 3 GLY CA . 30870 1 20 . 1 . 1 3 3 GLY N N 15 110.1765 0.0000 . 1 . . . . A 3 GLY N . 30870 1 21 . 1 . 1 4 4 ARG H H 1 8.2486 0.0000 . 1 . . . . A 4 ARG H . 30870 1 22 . 1 . 1 4 4 ARG HA H 1 4.3480 0.0000 . 1 . . . . A 4 ARG HA . 30870 1 23 . 1 . 1 4 4 ARG HB2 H 1 1.8550 0.0000 . 2 . . . . A 4 ARG HB2 . 30870 1 24 . 1 . 1 4 4 ARG HG2 H 1 1.6330 0.0000 . 2 . . . . A 4 ARG HG2 . 30870 1 25 . 1 . 1 4 4 ARG HD2 H 1 3.2050 0.0000 . 2 . . . . A 4 ARG HD2 . 30870 1 26 . 1 . 1 4 4 ARG CA C 13 56.4554 0.0000 . 1 . . . . A 4 ARG CA . 30870 1 27 . 1 . 1 4 4 ARG CB C 13 31.2698 0.0000 . 1 . . . . A 4 ARG CB . 30870 1 28 . 1 . 1 4 4 ARG CG C 13 26.9900 0.0000 . 1 . . . . A 4 ARG CG . 30870 1 29 . 1 . 1 4 4 ARG CD C 13 43.3230 0.0000 . 1 . . . . A 4 ARG CD . 30870 1 30 . 1 . 1 4 4 ARG N N 15 120.0075 0.0000 . 1 . . . . A 4 ARG N . 30870 1 31 . 1 . 1 5 5 ASP H H 1 8.5210 0.0000 . 1 . . . . A 5 ASP H . 30870 1 32 . 1 . 1 5 5 ASP HA H 1 4.6080 0.0000 . 1 . . . . A 5 ASP HA . 30870 1 33 . 1 . 1 5 5 ASP HB2 H 1 2.6490 0.0000 . 2 . . . . A 5 ASP HB2 . 30870 1 34 . 1 . 1 5 5 ASP CA C 13 54.6505 0.0000 . 1 . . . . A 5 ASP CA . 30870 1 35 . 1 . 1 5 5 ASP CB C 13 41.2966 0.0000 . 1 . . . . A 5 ASP CB . 30870 1 36 . 1 . 1 5 5 ASP N N 15 120.1127 0.0000 . 1 . . . . A 5 ASP N . 30870 1 37 . 1 . 1 6 6 ASP H H 1 8.2664 0.0000 . 1 . . . . A 6 ASP H . 30870 1 38 . 1 . 1 6 6 ASP HA H 1 4.6140 0.0000 . 1 . . . . A 6 ASP HA . 30870 1 39 . 1 . 1 6 6 ASP HB2 H 1 2.6490 0.0000 . 2 . . . . A 6 ASP HB2 . 30870 1 40 . 1 . 1 6 6 ASP CA C 13 54.7475 0.0000 . 1 . . . . A 6 ASP CA . 30870 1 41 . 1 . 1 6 6 ASP CB C 13 41.1841 0.0000 . 1 . . . . A 6 ASP CB . 30870 1 42 . 1 . 1 6 6 ASP N N 15 120.1264 0.0000 . 1 . . . . A 6 ASP N . 30870 1 43 . 1 . 1 7 7 ASP H H 1 8.1781 0.0000 . 1 . . . . A 7 ASP H . 30870 1 44 . 1 . 1 7 7 ASP HA H 1 4.5860 0.0000 . 1 . . . . A 7 ASP HA . 30870 1 45 . 1 . 1 7 7 ASP HB2 H 1 2.6530 0.0000 . 2 . . . . A 7 ASP HB2 . 30870 1 46 . 1 . 1 7 7 ASP CA C 13 54.5174 0.0000 . 1 . . . . A 7 ASP CA . 30870 1 47 . 1 . 1 7 7 ASP CB C 13 41.3921 0.0000 . 1 . . . . A 7 ASP CB . 30870 1 48 . 1 . 1 7 7 ASP N N 15 118.8351 0.0000 . 1 . . . . A 7 ASP N . 30870 1 49 . 1 . 1 8 8 ASP H H 1 8.2085 0.0000 . 1 . . . . A 8 ASP H . 30870 1 50 . 1 . 1 8 8 ASP HA H 1 4.5890 0.0000 . 1 . . . . A 8 ASP HA . 30870 1 51 . 1 . 1 8 8 ASP HB2 H 1 2.6730 0.0000 . 2 . . . . A 8 ASP HB2 . 30870 1 52 . 1 . 1 8 8 ASP CA C 13 54.6610 0.0000 . 1 . . . . A 8 ASP CA . 30870 1 53 . 1 . 1 8 8 ASP CB C 13 41.4724 0.0000 . 1 . . . . A 8 ASP CB . 30870 1 54 . 1 . 1 8 8 ASP N N 15 119.4538 0.0000 . 1 . . . . A 8 ASP N . 30870 1 55 . 1 . 1 9 9 GLU H H 1 8.3517 0.0000 . 1 . . . . A 9 GLU H . 30870 1 56 . 1 . 1 9 9 GLU HA H 1 4.2020 0.0000 . 1 . . . . A 9 GLU HA . 30870 1 57 . 1 . 1 9 9 GLU HB2 H 1 2.2620 0.0000 . 2 . . . . A 9 GLU HB2 . 30870 1 58 . 1 . 1 9 9 GLU HG2 H 1 2.4650 0.0000 . 2 . . . . A 9 GLU HG2 . 30870 1 59 . 1 . 1 9 9 GLU CA C 13 56.9099 0.0000 . 1 . . . . A 9 GLU CA . 30870 1 60 . 1 . 1 9 9 GLU CB C 13 30.5189 0.0000 . 1 . . . . A 9 GLU CB . 30870 1 61 . 1 . 1 9 9 GLU CG C 13 36.3770 0.0000 . 1 . . . . A 9 GLU CG . 30870 1 62 . 1 . 1 9 9 GLU N N 15 120.5650 0.0000 . 1 . . . . A 9 GLU N . 30870 1 63 . 1 . 1 10 10 GLU H H 1 8.3996 0.0000 . 1 . . 87 . A 10 GLU H . 30870 1 64 . 1 . 1 10 10 GLU HA H 1 4.2140 0.0000 . 1 . . . . A 10 GLU HA . 30870 1 65 . 1 . 1 10 10 GLU HB2 H 1 2.2370 0.0000 . 2 . . . . A 10 GLU HB2 . 30870 1 66 . 1 . 1 10 10 GLU HG2 H 1 2.3650 0.0000 . 2 . . . . A 10 GLU HG2 . 30870 1 67 . 1 . 1 10 10 GLU CA C 13 56.8267 0.0000 . 1 . . . . A 10 GLU CA . 30870 1 68 . 1 . 1 10 10 GLU CB C 13 30.3294 0.0000 . 1 . . . . A 10 GLU CB . 30870 1 69 . 1 . 1 10 10 GLU CG C 13 36.3610 0.0000 . 1 . . . . A 10 GLU CG . 30870 1 70 . 1 . 1 10 10 GLU N N 15 120.4179 0.0000 . 1 . . 89 . A 10 GLU N . 30870 1 71 . 1 . 1 11 11 ASN H H 1 8.3516 0.0000 . 1 . . . . A 11 ASN H . 30870 1 72 . 1 . 1 11 11 ASN HA H 1 4.9877 0.0000 . 1 . . . . A 11 ASN HA . 30870 1 73 . 1 . 1 11 11 ASN HB2 H 1 2.7963 0.0000 . 2 . . . . A 11 ASN HB2 . 30870 1 74 . 1 . 1 11 11 ASN HB3 H 1 2.6614 0.0000 . 2 . . . . A 11 ASN HB3 . 30870 1 75 . 1 . 1 11 11 ASN CA C 13 51.2993 0.0000 . 1 . . . . A 11 ASN CA . 30870 1 76 . 1 . 1 11 11 ASN CB C 13 39.1318 0.0000 . 1 . . . . A 11 ASN CB . 30870 1 77 . 1 . 1 11 11 ASN N N 15 119.1947 0.0000 . 1 . . . . A 11 ASN N . 30870 1 78 . 1 . 1 12 12 PRO HA H 1 4.4180 0.0000 . 1 . . . . A 12 PRO HA . 30870 1 79 . 1 . 1 12 12 PRO HB2 H 1 1.9960 0.0000 . 2 . . . . A 12 PRO HB2 . 30870 1 80 . 1 . 1 12 12 PRO HG2 H 1 1.9330 0.0000 . 2 . . . . A 12 PRO HG2 . 30870 1 81 . 1 . 1 12 12 PRO HD2 H 1 3.7180 0.0000 . 2 . . . . A 12 PRO HD2 . 30870 1 82 . 1 . 1 12 12 PRO CA C 13 63.3506 0.0000 . 1 . . . . A 12 PRO CA . 30870 1 83 . 1 . 1 12 12 PRO CB C 13 32.1460 0.0000 . 1 . . . . A 12 PRO CB . 30870 1 84 . 1 . 1 12 12 PRO CG C 13 27.1120 0.0000 . 1 . . . . A 12 PRO CG . 30870 1 85 . 1 . 1 12 12 PRO CD C 13 50.6400 0.0000 . 1 . . . . A 12 PRO CD . 30870 1 86 . 1 . 1 13 13 ARG H H 1 8.4914 0.0000 . 1 . . . . A 13 ARG H . 30870 1 87 . 1 . 1 13 13 ARG HA H 1 4.2670 0.0000 . 1 . . . . A 13 ARG HA . 30870 1 88 . 1 . 1 13 13 ARG HB2 H 1 1.7490 0.0000 . 2 . . . . A 13 ARG HB2 . 30870 1 89 . 1 . 1 13 13 ARG HG2 H 1 1.6950 0.0000 . 2 . . . . A 13 ARG HG2 . 30870 1 90 . 1 . 1 13 13 ARG HD2 H 1 3.1720 0.0000 . 2 . . . . A 13 ARG HD2 . 30870 1 91 . 1 . 1 13 13 ARG CA C 13 55.8671 0.0000 . 1 . . . . A 13 ARG CA . 30870 1 92 . 1 . 1 13 13 ARG CB C 13 31.0348 0.0000 . 1 . . . . A 13 ARG CB . 30870 1 93 . 1 . 1 13 13 ARG CG C 13 27.2760 0.0000 . 1 . . . . A 13 ARG CG . 30870 1 94 . 1 . 1 13 13 ARG CD C 13 43.2480 0.0000 . 1 . . . . A 13 ARG CD . 30870 1 95 . 1 . 1 13 13 ARG N N 15 120.5376 0.0000 . 1 . . . . A 13 ARG N . 30870 1 96 . 1 . 1 14 14 ASP H H 1 8.4233 0.0000 . 1 . . . . A 14 ASP H . 30870 1 97 . 1 . 1 14 14 ASP HA H 1 4.9080 0.0000 . 1 . . . . A 14 ASP HA . 30870 1 98 . 1 . 1 14 14 ASP HB2 H 1 1.6200 0.0000 . 2 . . . . A 14 ASP HB2 . 30870 1 99 . 1 . 1 14 14 ASP HB3 H 1 1.5700 0.0000 . 2 . . . . A 14 ASP HB3 . 30870 1 100 . 1 . 1 14 14 ASP CA C 13 51.8509 0.0000 . 1 . . . . A 14 ASP CA . 30870 1 101 . 1 . 1 14 14 ASP CB C 13 42.1700 0.0000 . 1 . . . . A 14 ASP CB . 30870 1 102 . 1 . 1 14 14 ASP N N 15 122.3634 0.0000 . 1 . . . . A 14 ASP N . 30870 1 103 . 1 . 1 15 15 PRO HA H 1 4.3600 0.0000 . 1 . . . . A 15 PRO HA . 30870 1 104 . 1 . 1 15 15 PRO HB2 H 1 2.0850 0.0000 . 2 . . . . A 15 PRO HB2 . 30870 1 105 . 1 . 1 15 15 PRO HB3 H 1 2.4260 0.0000 . 2 . . . . A 15 PRO HB3 . 30870 1 106 . 1 . 1 15 15 PRO HG2 H 1 2.0100 0.0000 . 2 . . . . A 15 PRO HG2 . 30870 1 107 . 1 . 1 15 15 PRO HD2 H 1 3.9520 0.0000 . 2 . . . . A 15 PRO HD2 . 30870 1 108 . 1 . 1 15 15 PRO CA C 13 65.1269 0.0000 . 1 . . . . A 15 PRO CA . 30870 1 109 . 1 . 1 15 15 PRO CB C 13 32.9079 0.0000 . 1 . . . . A 15 PRO CB . 30870 1 110 . 1 . 1 15 15 PRO CG C 13 27.5480 0.0000 . 1 . . . . A 15 PRO CG . 30870 1 111 . 1 . 1 15 15 PRO CD C 13 51.1980 0.0000 . 1 . . . . A 15 PRO CD . 30870 1 112 . 1 . 1 16 16 ARG H H 1 8.5168 0.0000 . 1 . . . . A 16 ARG H . 30870 1 113 . 1 . 1 16 16 ARG HA H 1 4.1670 0.0000 . 1 . . . . A 16 ARG HA . 30870 1 114 . 1 . 1 16 16 ARG HB2 H 1 2.0010 0.0000 . 2 . . . . A 16 ARG HB2 . 30870 1 115 . 1 . 1 16 16 ARG HG2 H 1 1.7120 0.0000 . 2 . . . . A 16 ARG HG2 . 30870 1 116 . 1 . 1 16 16 ARG HD2 H 1 3.2300 0.0000 . 2 . . . . A 16 ARG HD2 . 30870 1 117 . 1 . 1 16 16 ARG CA C 13 58.5451 0.0000 . 1 . . . . A 16 ARG CA . 30870 1 118 . 1 . 1 16 16 ARG CB C 13 29.3412 0.0000 . 1 . . . . A 16 ARG CB . 30870 1 119 . 1 . 1 16 16 ARG CG C 13 27.6390 0.0000 . 1 . . . . A 16 ARG CG . 30870 1 120 . 1 . 1 16 16 ARG CD C 13 43.0410 0.0000 . 1 . . . . A 16 ARG CD . 30870 1 121 . 1 . 1 16 16 ARG N N 15 117.1784 0.0000 . 1 . . . . A 16 ARG N . 30870 1 122 . 1 . 1 17 17 GLU H H 1 7.9630 0.0000 . 1 . . . . A 17 GLU H . 30870 1 123 . 1 . 1 17 17 GLU HA H 1 4.3260 0.0000 . 1 . . . . A 17 GLU HA . 30870 1 124 . 1 . 1 17 17 GLU HB2 H 1 2.2770 0.0000 . 2 . . . . A 17 GLU HB2 . 30870 1 125 . 1 . 1 17 17 GLU HG2 H 1 2.3600 0.0000 . 2 . . . . A 17 GLU HG2 . 30870 1 126 . 1 . 1 17 17 GLU CA C 13 58.7064 0.0000 . 1 . . . . A 17 GLU CA . 30870 1 127 . 1 . 1 17 17 GLU CB C 13 29.2857 0.0000 . 1 . . . . A 17 GLU CB . 30870 1 128 . 1 . 1 17 17 GLU CG C 13 35.6590 0.0000 . 1 . . . . A 17 GLU CG . 30870 1 129 . 1 . 1 17 17 GLU N N 15 121.8367 0.0000 . 1 . . . . A 17 GLU N . 30870 1 130 . 1 . 1 18 18 GLN H H 1 8.2011 0.0000 . 1 . . . . A 18 GLN H . 30870 1 131 . 1 . 1 18 18 GLN HA H 1 4.0010 0.0000 . 1 . . . . A 18 GLN HA . 30870 1 132 . 1 . 1 18 18 GLN HB2 H 1 2.3820 0.0000 . 2 . . . . A 18 GLN HB2 . 30870 1 133 . 1 . 1 18 18 GLN HG2 H 1 2.3820 0.0000 . 2 . . . . A 18 GLN HG2 . 30870 1 134 . 1 . 1 18 18 GLN CA C 13 58.8927 0.0000 . 1 . . . . A 18 GLN CA . 30870 1 135 . 1 . 1 18 18 GLN CB C 13 28.2317 0.0000 . 1 . . . . A 18 GLN CB . 30870 1 136 . 1 . 1 18 18 GLN CG C 13 34.1430 0.0000 . 1 . . . . A 18 GLN CG . 30870 1 137 . 1 . 1 18 18 GLN N N 15 118.4635 0.0000 . 1 . . . . A 18 GLN N . 30870 1 138 . 1 . 1 19 19 TYR H H 1 8.0679 0.0000 . 1 . . . . A 19 TYR H . 30870 1 139 . 1 . 1 19 19 TYR HA H 1 4.4000 0.0000 . 1 . . . . A 19 TYR HA . 30870 1 140 . 1 . 1 19 19 TYR HB2 H 1 3.1940 0.0000 . 2 . . . . A 19 TYR HB2 . 30870 1 141 . 1 . 1 19 19 TYR HD1 H 1 7.0900 0.0000 . 3 . . . . A 19 TYR HD1 . 30870 1 142 . 1 . 1 19 19 TYR HE1 H 1 6.6400 0.0000 . 3 . . . . A 19 TYR HE1 . 30870 1 143 . 1 . 1 19 19 TYR CA C 13 59.4000 0.0000 . 1 . . . . A 19 TYR CA . 30870 1 144 . 1 . 1 19 19 TYR CB C 13 38.6312 0.0000 . 1 . . . . A 19 TYR CB . 30870 1 145 . 1 . 1 19 19 TYR CD1 C 13 133.4000 0.0000 . 3 . . . . A 19 TYR CD1 . 30870 1 146 . 1 . 1 19 19 TYR CE1 C 13 118.0500 0.0000 . 3 . . . . A 19 TYR CE1 . 30870 1 147 . 1 . 1 19 19 TYR N N 15 120.5735 0.0000 . 1 . . . . A 19 TYR N . 30870 1 148 . 1 . 1 20 20 ARG H H 1 8.0796 0.0000 . 1 . . . . A 20 ARG H . 30870 1 149 . 1 . 1 20 20 ARG HA H 1 3.9070 0.0000 . 1 . . . . A 20 ARG HA . 30870 1 150 . 1 . 1 20 20 ARG HB2 H 1 1.9840 0.0000 . 2 . . . . A 20 ARG HB2 . 30870 1 151 . 1 . 1 20 20 ARG HG2 H 1 1.6000 0.0000 . 2 . . . . A 20 ARG HG2 . 30870 1 152 . 1 . 1 20 20 ARG HD2 H 1 3.2570 0.0000 . 2 . . . . A 20 ARG HD2 . 30870 1 153 . 1 . 1 20 20 ARG CA C 13 59.7911 0.0000 . 1 . . . . A 20 ARG CA . 30870 1 154 . 1 . 1 20 20 ARG CB C 13 30.0854 0.0000 . 1 . . . . A 20 ARG CB . 30870 1 155 . 1 . 1 20 20 ARG CG C 13 27.6140 0.0000 . 1 . . . . A 20 ARG CG . 30870 1 156 . 1 . 1 20 20 ARG CD C 13 43.1780 0.0000 . 1 . . . . A 20 ARG CD . 30870 1 157 . 1 . 1 20 20 ARG N N 15 120.2454 0.0000 . 1 . . . . A 20 ARG N . 30870 1 158 . 1 . 1 21 21 GLN H H 1 8.1584 0.0000 . 1 . . 114 . A 21 GLN H . 30870 1 159 . 1 . 1 21 21 GLN HA H 1 4.0070 0.0000 . 1 . . . . A 21 GLN HA . 30870 1 160 . 1 . 1 21 21 GLN HB2 H 1 2.3270 0.0000 . 2 . . . . A 21 GLN HB2 . 30870 1 161 . 1 . 1 21 21 GLN HG2 H 1 2.5090 0.0000 . 2 . . . . A 21 GLN HG2 . 30870 1 162 . 1 . 1 21 21 GLN CA C 13 59.0020 0.0000 . 1 . . . . A 21 GLN CA . 30870 1 163 . 1 . 1 21 21 GLN CB C 13 28.1840 0.0000 . 1 . . . . A 21 GLN CB . 30870 1 164 . 1 . 1 21 21 GLN CG C 13 34.3840 0.0000 . 1 . . . . A 21 GLN CG . 30870 1 165 . 1 . 1 21 21 GLN N N 15 117.7218 0.0000 . 1 . . 116 . A 21 GLN N . 30870 1 166 . 1 . 1 22 22 CYS H H 1 8.3898 0.0000 . 1 . . 48 . A 22 CYS H . 30870 1 167 . 1 . 1 22 22 CYS HA H 1 4.3200 0.0000 . 1 . . . . A 22 CYS HA . 30870 1 168 . 1 . 1 22 22 CYS HB2 H 1 3.1810 0.0000 . 2 . . . . A 22 CYS HB2 . 30870 1 169 . 1 . 1 22 22 CYS HB3 H 1 3.4000 0.0000 . 2 . . . . A 22 CYS HB3 . 30870 1 170 . 1 . 1 22 22 CYS CA C 13 60.1561 0.0000 . 1 . . . . A 22 CYS CA . 30870 1 171 . 1 . 1 22 22 CYS CB C 13 37.6982 0.0000 . 1 . . . . A 22 CYS CB . 30870 1 172 . 1 . 1 22 22 CYS N N 15 121.3845 0.0000 . 1 . . 50 . A 22 CYS N . 30870 1 173 . 1 . 1 23 23 GLN H H 1 8.4159 0.0000 . 1 . . 96 . A 23 GLN H . 30870 1 174 . 1 . 1 23 23 GLN HA H 1 3.8060 0.0000 . 1 . . . . A 23 GLN HA . 30870 1 175 . 1 . 1 23 23 GLN HB2 H 1 1.9780 0.0000 . 2 . . . . A 23 GLN HB2 . 30870 1 176 . 1 . 1 23 23 GLN CA C 13 59.1360 0.0000 . 1 . . . . A 23 GLN CA . 30870 1 177 . 1 . 1 23 23 GLN CB C 13 30.6400 0.0000 . 1 . . . . A 23 GLN CB . 30870 1 178 . 1 . 1 23 23 GLN N N 15 118.1522 0.0000 . 1 . . 98 . A 23 GLN N . 30870 1 179 . 1 . 1 24 24 GLU H H 1 7.8851 0.0000 . 1 . . 60 . A 24 GLU H . 30870 1 180 . 1 . 1 24 24 GLU HA H 1 4.0000 0.0000 . 1 . . . . A 24 GLU HA . 30870 1 181 . 1 . 1 24 24 GLU HB2 H 1 2.2330 0.0000 . 2 . . . . A 24 GLU HB2 . 30870 1 182 . 1 . 1 24 24 GLU HG2 H 1 2.3230 0.0000 . 2 . . . . A 24 GLU HG2 . 30870 1 183 . 1 . 1 24 24 GLU CA C 13 59.2272 0.0000 . 1 . . . . A 24 GLU CA . 30870 1 184 . 1 . 1 24 24 GLU CG C 13 35.9280 0.0000 . 1 . . . . A 24 GLU CG . 30870 1 185 . 1 . 1 24 24 GLU N N 15 118.7898 0.0000 . 1 . . 62 . A 24 GLU N . 30870 1 186 . 1 . 1 25 25 TYR H H 1 8.2211 0.0000 . 1 . . 147 . A 25 TYR H . 30870 1 187 . 1 . 1 25 25 TYR HA H 1 4.2710 0.0000 . 1 . . . . A 25 TYR HA . 30870 1 188 . 1 . 1 25 25 TYR HB2 H 1 3.2410 0.0000 . 2 . . . . A 25 TYR HB2 . 30870 1 189 . 1 . 1 25 25 TYR HD1 H 1 7.1030 0.0000 . 3 . . . . A 25 TYR HD1 . 30870 1 190 . 1 . 1 25 25 TYR HE1 H 1 6.7800 0.0000 . 3 . . . . A 25 TYR HE1 . 30870 1 191 . 1 . 1 25 25 TYR CA C 13 61.5443 0.0000 . 1 . . . . A 25 TYR CA . 30870 1 192 . 1 . 1 25 25 TYR CB C 13 37.4959 0.0000 . 1 . . . . A 25 TYR CB . 30870 1 193 . 1 . 1 25 25 TYR CG C 13 121.6464 0.0000 . 1 . . . . A 25 TYR CG . 30870 1 194 . 1 . 1 25 25 TYR CD1 C 13 133.2740 0.0000 . 3 . . . . A 25 TYR CD1 . 30870 1 195 . 1 . 1 25 25 TYR CE1 C 13 118.2390 0.0000 . 3 . . . . A 25 TYR CE1 . 30870 1 196 . 1 . 1 25 25 TYR N N 15 120.5232 0.0000 . 1 . . 149 . A 25 TYR N . 30870 1 197 . 1 . 1 26 26 CYS H H 1 8.4048 0.0000 . 1 . . 117 . A 26 CYS H . 30870 1 198 . 1 . 1 26 26 CYS HA H 1 4.3820 0.0000 . 1 . . . . A 26 CYS HA . 30870 1 199 . 1 . 1 26 26 CYS HB2 H 1 3.1410 0.0000 . 2 . . . . A 26 CYS HB2 . 30870 1 200 . 1 . 1 26 26 CYS CA C 13 56.3130 0.0000 . 1 . . . . A 26 CYS CA . 30870 1 201 . 1 . 1 26 26 CYS CB C 13 36.7190 0.0000 . 1 . . . . A 26 CYS CB . 30870 1 202 . 1 . 1 26 26 CYS N N 15 116.1364 0.0000 . 1 . . 119 . A 26 CYS N . 30870 1 203 . 1 . 1 27 27 ARG H H 1 7.8560 0.0000 . 1 . . 42 . A 27 ARG H . 30870 1 204 . 1 . 1 27 27 ARG HA H 1 4.1030 0.0000 . 1 . . . . A 27 ARG HA . 30870 1 205 . 1 . 1 27 27 ARG HB2 H 1 1.9100 0.0000 . 2 . . . . A 27 ARG HB2 . 30870 1 206 . 1 . 1 27 27 ARG HG2 H 1 1.6060 0.0000 . 2 . . . . A 27 ARG HG2 . 30870 1 207 . 1 . 1 27 27 ARG HD2 H 1 3.1700 0.0000 . 2 . . . . A 27 ARG HD2 . 30870 1 208 . 1 . 1 27 27 ARG CA C 13 58.4375 0.0000 . 1 . . . . A 27 ARG CA . 30870 1 209 . 1 . 1 27 27 ARG CB C 13 30.3790 0.0000 . 1 . . . . A 27 ARG CB . 30870 1 210 . 1 . 1 27 27 ARG CG C 13 27.7070 0.0000 . 1 . . . . A 27 ARG CG . 30870 1 211 . 1 . 1 27 27 ARG CD C 13 43.5270 0.0000 . 1 . . . . A 27 ARG CD . 30870 1 212 . 1 . 1 27 27 ARG N N 15 118.6108 0.0000 . 1 . . 44 . A 27 ARG N . 30870 1 213 . 1 . 1 28 28 ARG H H 1 7.6304 0.0000 . 1 . . 9 . A 28 ARG H . 30870 1 214 . 1 . 1 28 28 ARG HA H 1 4.2490 0.0000 . 1 . . . . A 28 ARG HA . 30870 1 215 . 1 . 1 28 28 ARG HB2 H 1 1.8370 0.0000 . 2 . . . . A 28 ARG HB2 . 30870 1 216 . 1 . 1 28 28 ARG HG2 H 1 1.7060 0.0000 . 2 . . . . A 28 ARG HG2 . 30870 1 217 . 1 . 1 28 28 ARG HD2 H 1 3.1140 0.0000 . 2 . . . . A 28 ARG HD2 . 30870 1 218 . 1 . 1 28 28 ARG CA C 13 57.0097 0.0000 . 1 . . . . A 28 ARG CA . 30870 1 219 . 1 . 1 28 28 ARG CB C 13 30.5763 0.0000 . 1 . . . . A 28 ARG CB . 30870 1 220 . 1 . 1 28 28 ARG CG C 13 27.4450 0.0000 . 1 . . . . A 28 ARG CG . 30870 1 221 . 1 . 1 28 28 ARG CD C 13 43.6460 0.0000 . 1 . . . . A 28 ARG CD . 30870 1 222 . 1 . 1 28 28 ARG N N 15 117.1836 0.0000 . 1 . . 11 . A 28 ARG N . 30870 1 223 . 1 . 1 29 29 GLN H H 1 7.6660 0.0000 . 1 . . . . A 29 GLN H . 30870 1 224 . 1 . 1 29 29 GLN CA C 13 56.9333 0.0000 . 1 . . . . A 29 GLN CA . 30870 1 225 . 1 . 1 29 29 GLN CB C 13 29.1295 0.0000 . 1 . . . . A 29 GLN CB . 30870 1 226 . 1 . 1 29 29 GLN N N 15 117.2612 0.0000 . 1 . . . . A 29 GLN N . 30870 1 227 . 1 . 1 30 30 GLY H H 1 8.2028 0.0000 . 1 . . . . A 30 GLY H . 30870 1 228 . 1 . 1 30 30 GLY HA2 H 1 3.9090 0.0000 . 2 . . . . A 30 GLY HA2 . 30870 1 229 . 1 . 1 30 30 GLY CA C 13 46.5649 0.0000 . 1 . . . . A 30 GLY CA . 30870 1 230 . 1 . 1 30 30 GLY N N 15 106.9282 0.0000 . 1 . . . . A 30 GLY N . 30870 1 231 . 1 . 1 31 31 GLN H H 1 8.1887 0.0000 . 1 . . . . A 31 GLN H . 30870 1 232 . 1 . 1 31 31 GLN HA H 1 4.4000 0.0000 . 1 . . . . A 31 GLN HA . 30870 1 233 . 1 . 1 31 31 GLN HB2 H 1 2.2950 0.0000 . 2 . . . . A 31 GLN HB2 . 30870 1 234 . 1 . 1 31 31 GLN HG2 H 1 2.2950 0.0000 . 2 . . . . A 31 GLN HG2 . 30870 1 235 . 1 . 1 31 31 GLN CA C 13 55.5173 0.0000 . 1 . . . . A 31 GLN CA . 30870 1 236 . 1 . 1 31 31 GLN CB C 13 29.9146 0.0000 . 1 . . . . A 31 GLN CB . 30870 1 237 . 1 . 1 31 31 GLN CG C 13 33.9980 0.0000 . 1 . . . . A 31 GLN CG . 30870 1 238 . 1 . 1 31 31 GLN N N 15 117.6857 0.0000 . 1 . . . . A 31 GLN N . 30870 1 239 . 1 . 1 32 32 GLY H H 1 8.4298 0.0000 . 1 . . 24 . A 32 GLY H . 30870 1 240 . 1 . 1 32 32 GLY HA2 H 1 3.9900 0.0000 . 2 . . . . A 32 GLY HA2 . 30870 1 241 . 1 . 1 32 32 GLY CA C 13 44.8814 0.0000 . 1 . . . . A 32 GLY CA . 30870 1 242 . 1 . 1 32 32 GLY N N 15 108.8335 0.0000 . 1 . . 26 . A 32 GLY N . 30870 1 243 . 1 . 1 33 33 GLN H H 1 8.1910 0.0000 . 1 . . 99 . A 33 GLN H . 30870 1 244 . 1 . 1 33 33 GLN HA H 1 4.4100 0.0000 . 1 . . . . A 33 GLN HA . 30870 1 245 . 1 . 1 33 33 GLN HB2 H 1 1.9850 0.0000 . 2 . . . . A 33 GLN HB2 . 30870 1 246 . 1 . 1 33 33 GLN HG2 H 1 2.2419 0.0000 . 2 . . . . A 33 GLN HG2 . 30870 1 247 . 1 . 1 33 33 GLN CA C 13 59.2259 0.0000 . 1 . . . . A 33 GLN CA . 30870 1 248 . 1 . 1 33 33 GLN CB C 13 29.4595 0.0000 . 1 . . . . A 33 GLN CB . 30870 1 249 . 1 . 1 33 33 GLN CG C 13 30.1400 0.0000 . 1 . . . . A 33 GLN CG . 30870 1 250 . 1 . 1 33 33 GLN N N 15 119.9940 0.0000 . 1 . . 101 . A 33 GLN N . 30870 1 251 . 1 . 1 34 34 ARG H H 1 8.2660 0.0000 . 1 . . 72 . A 34 ARG H . 30870 1 252 . 1 . 1 34 34 ARG HA H 1 4.6070 0.0000 . 1 . . . . A 34 ARG HA . 30870 1 253 . 1 . 1 34 34 ARG HB2 H 1 1.7980 0.0000 . 2 . . . . A 34 ARG HB2 . 30870 1 254 . 1 . 1 34 34 ARG HG2 H 1 1.7110 0.0000 . 2 . . . . A 34 ARG HG2 . 30870 1 255 . 1 . 1 34 34 ARG HD2 H 1 3.2360 0.0000 . 2 . . . . A 34 ARG HD2 . 30870 1 256 . 1 . 1 34 34 ARG CA C 13 59.1736 0.0000 . 1 . . . . A 34 ARG CA . 30870 1 257 . 1 . 1 34 34 ARG CB C 13 29.3808 0.0000 . 1 . . . . A 34 ARG CB . 30870 1 258 . 1 . 1 34 34 ARG CG C 13 27.2590 0.0000 . 1 . . . . A 34 ARG CG . 30870 1 259 . 1 . 1 34 34 ARG CD C 13 43.1290 0.0000 . 1 . . . . A 34 ARG CD . 30870 1 260 . 1 . 1 34 34 ARG N N 15 121.1260 0.0000 . 1 . . 74 . A 34 ARG N . 30870 1 261 . 1 . 1 35 35 GLN H H 1 8.2793 0.0000 . 1 . . 66 . A 35 GLN H . 30870 1 262 . 1 . 1 35 35 GLN HA H 1 4.2020 0.0000 . 1 . . . . A 35 GLN HA . 30870 1 263 . 1 . 1 35 35 GLN HB2 H 1 2.2620 0.0000 . 2 . . . . A 35 GLN HB2 . 30870 1 264 . 1 . 1 35 35 GLN HG2 H 1 2.4590 0.0000 . 2 . . . . A 35 GLN HG2 . 30870 1 265 . 1 . 1 35 35 GLN CA C 13 59.0006 0.0000 . 1 . . . . A 35 GLN CA . 30870 1 266 . 1 . 1 35 35 GLN CB C 13 27.9043 0.0000 . 1 . . . . A 35 GLN CB . 30870 1 267 . 1 . 1 35 35 GLN CG C 13 34.4980 0.0000 . 1 . . . . A 35 GLN CG . 30870 1 268 . 1 . 1 35 35 GLN N N 15 118.6771 0.0000 . 1 . . 68 . A 35 GLN N . 30870 1 269 . 1 . 1 36 36 GLN H H 1 8.3965 0.0000 . 1 . . 93 . A 36 GLN H . 30870 1 270 . 1 . 1 36 36 GLN CA C 13 56.8425 0.0000 . 1 . . . . A 36 GLN CA . 30870 1 271 . 1 . 1 36 36 GLN CB C 13 30.5460 0.0000 . 1 . . . . A 36 GLN CB . 30870 1 272 . 1 . 1 36 36 GLN N N 15 120.4820 0.0000 . 1 . . 95 . A 36 GLN N . 30870 1 273 . 1 . 1 37 37 GLN H H 1 8.4320 0.0000 . 1 . . 51 . A 37 GLN H . 30870 1 274 . 1 . 1 37 37 GLN HA H 1 4.1170 0.0000 . 1 . . . . A 37 GLN HA . 30870 1 275 . 1 . 1 37 37 GLN HB2 H 1 2.1342 0.0000 . 2 . . . . A 37 GLN HB2 . 30870 1 276 . 1 . 1 37 37 GLN HG2 H 1 2.5090 0.0000 . 2 . . . . A 37 GLN HG2 . 30870 1 277 . 1 . 1 37 37 GLN CA C 13 58.7831 0.0000 . 1 . . . . A 37 GLN CA . 30870 1 278 . 1 . 1 37 37 GLN CB C 13 28.2570 0.0000 . 1 . . . . A 37 GLN CB . 30870 1 279 . 1 . 1 37 37 GLN CG C 13 33.9670 0.0000 . 1 . . . . A 37 GLN CG . 30870 1 280 . 1 . 1 37 37 GLN N N 15 121.8090 0.0000 . 1 . . 53 . A 37 GLN N . 30870 1 281 . 1 . 1 38 38 GLN H H 1 8.0494 0.0000 . 1 . . 18 . A 38 GLN H . 30870 1 282 . 1 . 1 38 38 GLN HA H 1 4.3340 0.0000 . 1 . . . . A 38 GLN HA . 30870 1 283 . 1 . 1 38 38 GLN HB2 H 1 2.4430 0.0000 . 2 . . . . A 38 GLN HB2 . 30870 1 284 . 1 . 1 38 38 GLN HG2 H 1 2.4430 0.0000 . 2 . . . . A 38 GLN HG2 . 30870 1 285 . 1 . 1 38 38 GLN CA C 13 58.7486 0.0000 . 1 . . . . A 38 GLN CA . 30870 1 286 . 1 . 1 38 38 GLN CB C 13 28.6884 0.0000 . 1 . . . . A 38 GLN CB . 30870 1 287 . 1 . 1 38 38 GLN CG C 13 33.9040 0.0000 . 1 . . . . A 38 GLN CG . 30870 1 288 . 1 . 1 38 38 GLN N N 15 117.4987 0.0000 . 1 . . 20 . A 38 GLN N . 30870 1 289 . 1 . 1 39 39 CYS H H 1 8.1648 0.0000 . 1 . . 36 . A 39 CYS H . 30870 1 290 . 1 . 1 39 39 CYS HA H 1 4.1880 0.0000 . 1 . . . . A 39 CYS HA . 30870 1 291 . 1 . 1 39 39 CYS HB2 H 1 3.1500 0.0000 . 2 . . . . A 39 CYS HB2 . 30870 1 292 . 1 . 1 39 39 CYS HB3 H 1 3.5160 0.0000 . 2 . . . . A 39 CYS HB3 . 30870 1 293 . 1 . 1 39 39 CYS CA C 13 56.9950 0.0000 . 1 . . . . A 39 CYS CA . 30870 1 294 . 1 . 1 39 39 CYS CB C 13 36.3300 0.0000 . 1 . . . . A 39 CYS CB . 30870 1 295 . 1 . 1 39 39 CYS N N 15 119.6408 0.0000 . 1 . . 38 . A 39 CYS N . 30870 1 296 . 1 . 1 40 40 GLN H H 1 8.3914 0.0000 . 1 . . 33 . A 40 GLN H . 30870 1 297 . 1 . 1 40 40 GLN HA H 1 4.2290 0.0000 . 1 . . . . A 40 GLN HA . 30870 1 298 . 1 . 1 40 40 GLN HB2 H 1 2.3600 0.0000 . 2 . . . . A 40 GLN HB2 . 30870 1 299 . 1 . 1 40 40 GLN HG2 H 1 2.4610 0.0000 . 2 . . . . A 40 GLN HG2 . 30870 1 300 . 1 . 1 40 40 GLN CA C 13 59.7092 0.0000 . 1 . . . . A 40 GLN CA . 30870 1 301 . 1 . 1 40 40 GLN CB C 13 28.0127 0.0000 . 1 . . . . A 40 GLN CB . 30870 1 302 . 1 . 1 40 40 GLN CG C 13 34.3810 0.0000 . 1 . . . . A 40 GLN CG . 30870 1 303 . 1 . 1 40 40 GLN N N 15 119.8411 0.0000 . 1 . . 35 . A 40 GLN N . 30870 1 304 . 1 . 1 41 41 ILE H H 1 7.9795 0.0000 . 1 . . 126 . A 41 ILE H . 30870 1 305 . 1 . 1 41 41 ILE HA H 1 3.8460 0.0000 . 1 . . . . A 41 ILE HA . 30870 1 306 . 1 . 1 41 41 ILE HB H 1 1.9320 0.0000 . 1 . . . . A 41 ILE HB . 30870 1 307 . 1 . 1 41 41 ILE HG12 H 1 1.2520 0.0000 . 2 . . . . A 41 ILE HG12 . 30870 1 308 . 1 . 1 41 41 ILE HD11 H 1 0.9240 0.0000 . 1 . . . . A 41 ILE HD11 . 30870 1 309 . 1 . 1 41 41 ILE HD12 H 1 0.9240 0.0000 . 1 . . . . A 41 ILE HD12 . 30870 1 310 . 1 . 1 41 41 ILE HD13 H 1 0.9240 0.0000 . 1 . . . . A 41 ILE HD13 . 30870 1 311 . 1 . 1 41 41 ILE CA C 13 64.7983 0.0000 . 1 . . . . A 41 ILE CA . 30870 1 312 . 1 . 1 41 41 ILE CB C 13 38.0950 0.0000 . 1 . . . . A 41 ILE CB . 30870 1 313 . 1 . 1 41 41 ILE CG1 C 13 29.1790 0.0000 . 1 . . . . A 41 ILE CG1 . 30870 1 314 . 1 . 1 41 41 ILE CG2 C 13 17.1730 0.0000 . 1 . . . . A 41 ILE CG2 . 30870 1 315 . 1 . 1 41 41 ILE N N 15 119.5986 0.0000 . 1 . . 128 . A 41 ILE N . 30870 1 316 . 1 . 1 42 42 ARG H H 1 7.6999 0.0000 . 1 . . 39 . A 42 ARG H . 30870 1 317 . 1 . 1 42 42 ARG HA H 1 4.2650 0.0000 . 1 . . . . A 42 ARG HA . 30870 1 318 . 1 . 1 42 42 ARG HB2 H 1 2.1040 0.0000 . 2 . . . . A 42 ARG HB2 . 30870 1 319 . 1 . 1 42 42 ARG HG2 H 1 1.7850 0.0000 . 2 . . . . A 42 ARG HG2 . 30870 1 320 . 1 . 1 42 42 ARG HD2 H 1 3.3160 0.0000 . 2 . . . . A 42 ARG HD2 . 30870 1 321 . 1 . 1 42 42 ARG CA C 13 59.2415 0.0000 . 1 . . . . A 42 ARG CA . 30870 1 322 . 1 . 1 42 42 ARG CB C 13 29.5864 0.0000 . 1 . . . . A 42 ARG CB . 30870 1 323 . 1 . 1 42 42 ARG CG C 13 27.6510 0.0000 . 1 . . . . A 42 ARG CG . 30870 1 324 . 1 . 1 42 42 ARG CD C 13 43.2830 0.0000 . 1 . . . . A 42 ARG CD . 30870 1 325 . 1 . 1 42 42 ARG N N 15 119.2227 0.0000 . 1 . . 41 . A 42 ARG N . 30870 1 326 . 1 . 1 43 43 CYS H H 1 8.1719 0.0000 . 1 . . 30 . A 43 CYS H . 30870 1 327 . 1 . 1 43 43 CYS HA H 1 4.5880 0.0000 . 1 . . . . A 43 CYS HA . 30870 1 328 . 1 . 1 43 43 CYS HB2 H 1 2.6730 0.0000 . 2 . . . . A 43 CYS HB2 . 30870 1 329 . 1 . 1 43 43 CYS HB3 H 1 3.2160 0.0000 . 2 . . . . A 43 CYS HB3 . 30870 1 330 . 1 . 1 43 43 CYS CA C 13 57.1758 0.0000 . 1 . . . . A 43 CYS CA . 30870 1 331 . 1 . 1 43 43 CYS CB C 13 36.4540 0.0000 . 1 . . . . A 43 CYS CB . 30870 1 332 . 1 . 1 43 43 CYS N N 15 116.6829 0.0000 . 1 . . 32 . A 43 CYS N . 30870 1 333 . 1 . 1 44 44 GLU H H 1 8.3402 0.0000 . 1 . . 141 . A 44 GLU H . 30870 1 334 . 1 . 1 44 44 GLU HA H 1 4.0870 0.0000 . 1 . . . . A 44 GLU HA . 30870 1 335 . 1 . 1 44 44 GLU HB2 H 1 2.6110 0.0000 . 2 . . . . A 44 GLU HB2 . 30870 1 336 . 1 . 1 44 44 GLU HG2 H 1 2.4510 0.0000 . 2 . . . . A 44 GLU HG2 . 30870 1 337 . 1 . 1 44 44 GLU CA C 13 59.6085 0.0000 . 1 . . . . A 44 GLU CA . 30870 1 338 . 1 . 1 44 44 GLU CB C 13 29.4776 0.0000 . 1 . . . . A 44 GLU CB . 30870 1 339 . 1 . 1 44 44 GLU CG C 13 36.3940 0.0000 . 1 . . . . A 44 GLU CG . 30870 1 340 . 1 . 1 44 44 GLU N N 15 120.8682 0.0000 . 1 . . 143 . A 44 GLU N . 30870 1 341 . 1 . 1 45 45 GLU H H 1 8.5281 0.0000 . 1 . . 123 . A 45 GLU H . 30870 1 342 . 1 . 1 45 45 GLU HA H 1 4.1100 0.0000 . 1 . . . . A 45 GLU HA . 30870 1 343 . 1 . 1 45 45 GLU HB2 H 1 2.2620 0.0000 . 2 . . . . A 45 GLU HB2 . 30870 1 344 . 1 . 1 45 45 GLU HG2 H 1 2.5870 0.0000 . 2 . . . . A 45 GLU HG2 . 30870 1 345 . 1 . 1 45 45 GLU CA C 13 59.0877 0.0000 . 1 . . . . A 45 GLU CA . 30870 1 346 . 1 . 1 45 45 GLU CB C 13 30.0394 0.0000 . 1 . . . . A 45 GLU CB . 30870 1 347 . 1 . 1 45 45 GLU CG C 13 36.6100 0.0000 . 1 . . . . A 45 GLU CG . 30870 1 348 . 1 . 1 45 45 GLU N N 15 119.9855 0.0000 . 1 . . 125 . A 45 GLU N . 30870 1 349 . 1 . 1 46 46 ARG H H 1 8.1015 0.0000 . 1 . . 57 . A 46 ARG H . 30870 1 350 . 1 . 1 46 46 ARG HA H 1 4.1800 0.0000 . 1 . . . . A 46 ARG HA . 30870 1 351 . 1 . 1 46 46 ARG HB2 H 1 2.0130 0.0000 . 2 . . . . A 46 ARG HB2 . 30870 1 352 . 1 . 1 46 46 ARG HG2 H 1 1.7880 0.0000 . 2 . . . . A 46 ARG HG2 . 30870 1 353 . 1 . 1 46 46 ARG HD2 H 1 3.2440 0.0000 . 2 . . . . A 46 ARG HD2 . 30870 1 354 . 1 . 1 46 46 ARG CA C 13 58.1099 0.0000 . 1 . . . . A 46 ARG CA . 30870 1 355 . 1 . 1 46 46 ARG CB C 13 30.0220 0.0000 . 1 . . . . A 46 ARG CB . 30870 1 356 . 1 . 1 46 46 ARG CG C 13 27.1190 0.0000 . 1 . . . . A 46 ARG CG . 30870 1 357 . 1 . 1 46 46 ARG CD C 13 43.1220 0.0000 . 1 . . . . A 46 ARG CD . 30870 1 358 . 1 . 1 46 46 ARG N N 15 118.5924 0.0000 . 1 . . 59 . A 46 ARG N . 30870 1 359 . 1 . 1 47 47 LEU H H 1 7.7560 0.0000 . 1 . . 120 . A 47 LEU H . 30870 1 360 . 1 . 1 47 47 LEU HA H 1 4.4170 0.0000 . 1 . . . . A 47 LEU HA . 30870 1 361 . 1 . 1 47 47 LEU HB2 H 1 1.7870 0.0000 . 2 . . . . A 47 LEU HB2 . 30870 1 362 . 1 . 1 47 47 LEU HG H 1 1.4970 0.0000 . 1 . . . . A 47 LEU HG . 30870 1 363 . 1 . 1 47 47 LEU HD11 H 1 0.3850 0.0000 . 2 . . . . A 47 LEU HD11 . 30870 1 364 . 1 . 1 47 47 LEU HD12 H 1 0.3850 0.0000 . 2 . . . . A 47 LEU HD12 . 30870 1 365 . 1 . 1 47 47 LEU HD13 H 1 0.3850 0.0000 . 2 . . . . A 47 LEU HD13 . 30870 1 366 . 1 . 1 47 47 LEU HD21 H 1 0.7270 0.0000 . 2 . . . . A 47 LEU HD21 . 30870 1 367 . 1 . 1 47 47 LEU HD22 H 1 0.7270 0.0000 . 2 . . . . A 47 LEU HD22 . 30870 1 368 . 1 . 1 47 47 LEU HD23 H 1 0.7270 0.0000 . 2 . . . . A 47 LEU HD23 . 30870 1 369 . 1 . 1 47 47 LEU CA C 13 57.5725 0.0000 . 1 . . . . A 47 LEU CA . 30870 1 370 . 1 . 1 47 47 LEU CB C 13 41.4387 0.0000 . 1 . . . . A 47 LEU CB . 30870 1 371 . 1 . 1 47 47 LEU CG C 13 27.0890 0.0000 . 1 . . . . A 47 LEU CG . 30870 1 372 . 1 . 1 47 47 LEU CD1 C 13 24.0530 0.0000 . 2 . . . . A 47 LEU CD1 . 30870 1 373 . 1 . 1 47 47 LEU N N 15 120.1291 0.0000 . 1 . . 122 . A 47 LEU N . 30870 1 374 . 1 . 1 48 48 GLU H H 1 7.8672 0.0000 . 1 . . 81 . A 48 GLU H . 30870 1 375 . 1 . 1 48 48 GLU HA H 1 4.0890 0.0000 . 1 . . . . A 48 GLU HA . 30870 1 376 . 1 . 1 48 48 GLU HB2 H 1 2.2980 0.0000 . 2 . . . . A 48 GLU HB2 . 30870 1 377 . 1 . 1 48 48 GLU HG2 H 1 2.3370 0.0000 . 2 . . . . A 48 GLU HG2 . 30870 1 378 . 1 . 1 48 48 GLU CA C 13 58.7109 0.0000 . 1 . . . . A 48 GLU CA . 30870 1 379 . 1 . 1 48 48 GLU CB C 13 29.3691 0.0000 . 1 . . . . A 48 GLU CB . 30870 1 380 . 1 . 1 48 48 GLU CG C 13 36.1890 0.0000 . 1 . . . . A 48 GLU CG . 30870 1 381 . 1 . 1 48 48 GLU N N 15 117.9295 0.0000 . 1 . . 83 . A 48 GLU N . 30870 1 382 . 1 . 1 49 49 GLU H H 1 7.9973 0.0000 . 1 . . . . A 49 GLU H . 30870 1 383 . 1 . 1 49 49 GLU HA H 1 4.0590 0.0000 . 1 . . . . A 49 GLU HA . 30870 1 384 . 1 . 1 49 49 GLU HB2 H 1 2.3260 0.0000 . 2 . . . . A 49 GLU HB2 . 30870 1 385 . 1 . 1 49 49 GLU HG2 H 1 2.3490 0.0000 . 2 . . . . A 49 GLU HG2 . 30870 1 386 . 1 . 1 49 49 GLU CA C 13 58.7967 0.0000 . 1 . . . . A 49 GLU CA . 30870 1 387 . 1 . 1 49 49 GLU CB C 13 29.9246 0.0000 . 1 . . . . A 49 GLU CB . 30870 1 388 . 1 . 1 49 49 GLU CG C 13 36.1390 0.0000 . 1 . . . . A 49 GLU CG . 30870 1 389 . 1 . 1 49 49 GLU N N 15 119.0861 0.0000 . 1 . . . . A 49 GLU N . 30870 1 390 . 1 . 1 50 50 ASP H H 1 8.6794 0.0000 . 1 . . . . A 50 ASP H . 30870 1 391 . 1 . 1 50 50 ASP HA H 1 4.5130 0.0000 . 1 . . . . A 50 ASP HA . 30870 1 392 . 1 . 1 50 50 ASP HB2 H 1 2.8570 0.0000 . 2 . . . . A 50 ASP HB2 . 30870 1 393 . 1 . 1 50 50 ASP HB3 H 1 2.6390 0.0000 . 2 . . . . A 50 ASP HB3 . 30870 1 394 . 1 . 1 50 50 ASP CA C 13 56.5881 0.0000 . 1 . . . . A 50 ASP CA . 30870 1 395 . 1 . 1 50 50 ASP CB C 13 40.6126 0.0000 . 1 . . . . A 50 ASP CB . 30870 1 396 . 1 . 1 50 50 ASP N N 15 120.1357 0.0000 . 1 . . . . A 50 ASP N . 30870 1 397 . 1 . 1 51 51 GLN H H 1 8.3250 0.0000 . 1 . . . . A 51 GLN H . 30870 1 398 . 1 . 1 51 51 GLN HA H 1 4.2290 0.0000 . 1 . . . . A 51 GLN HA . 30870 1 399 . 1 . 1 51 51 GLN HB2 H 1 2.3080 0.0000 . 2 . . . . A 51 GLN HB2 . 30870 1 400 . 1 . 1 51 51 GLN HG2 H 1 2.4610 0.0000 . 2 . . . . A 51 GLN HG2 . 30870 1 401 . 1 . 1 51 51 GLN CA C 13 57.6677 0.0000 . 1 . . . . A 51 GLN CA . 30870 1 402 . 1 . 1 51 51 GLN CB C 13 29.0225 0.0000 . 1 . . . . A 51 GLN CB . 30870 1 403 . 1 . 1 51 51 GLN CG C 13 34.3810 0.0000 . 1 . . . . A 51 GLN CG . 30870 1 404 . 1 . 1 51 51 GLN N N 15 118.3224 0.0000 . 1 . . . . A 51 GLN N . 30870 1 405 . 1 . 1 52 52 ARG H H 1 7.9738 0.0000 . 1 . . 138 . A 52 ARG H . 30870 1 406 . 1 . 1 52 52 ARG HA H 1 4.2530 0.0000 . 1 . . . . A 52 ARG HA . 30870 1 407 . 1 . 1 52 52 ARG HB2 H 1 1.9100 0.0000 . 2 . . . . A 52 ARG HB2 . 30870 1 408 . 1 . 1 52 52 ARG HG2 H 1 1.7520 0.0000 . 2 . . . . A 52 ARG HG2 . 30870 1 409 . 1 . 1 52 52 ARG HD2 H 1 3.2330 0.0000 . 2 . . . . A 52 ARG HD2 . 30870 1 410 . 1 . 1 52 52 ARG CA C 13 57.7253 0.0000 . 1 . . . . A 52 ARG CA . 30870 1 411 . 1 . 1 52 52 ARG CB C 13 30.5142 0.0000 . 1 . . . . A 52 ARG CB . 30870 1 412 . 1 . 1 52 52 ARG CG C 13 27.3310 0.0000 . 1 . . . . A 52 ARG CG . 30870 1 413 . 1 . 1 52 52 ARG CD C 13 43.5220 0.0000 . 1 . . . . A 52 ARG CD . 30870 1 414 . 1 . 1 52 52 ARG N N 15 119.6421 0.0000 . 1 . . 140 . A 52 ARG N . 30870 1 415 . 1 . 1 53 53 SER H H 1 8.2155 0.0000 . 1 . . 135 . A 53 SER H . 30870 1 416 . 1 . 1 53 53 SER HA H 1 4.4160 0.0000 . 1 . . . . A 53 SER HA . 30870 1 417 . 1 . 1 53 53 SER HB2 H 1 3.9880 0.0000 . 2 . . . . A 53 SER HB2 . 30870 1 418 . 1 . 1 53 53 SER CA C 13 59.4739 0.0000 . 1 . . . . A 53 SER CA . 30870 1 419 . 1 . 1 53 53 SER CB C 13 63.5635 0.0000 . 1 . . . . A 53 SER CB . 30870 1 420 . 1 . 1 53 53 SER N N 15 114.8265 0.0000 . 1 . . 137 . A 53 SER N . 30870 1 421 . 1 . 1 54 54 GLN H H 1 8.1112 0.0000 . 1 . . 63 . A 54 GLN H . 30870 1 422 . 1 . 1 54 54 GLN HA H 1 4.5890 0.0000 . 1 . . . . A 54 GLN HA . 30870 1 423 . 1 . 1 54 54 GLN HB2 H 1 2.3850 0.0000 . 2 . . . . A 54 GLN HB2 . 30870 1 424 . 1 . 1 54 54 GLN HG2 H 1 2.6730 0.0000 . 2 . . . . A 54 GLN HG2 . 30870 1 425 . 1 . 1 54 54 GLN CA C 13 56.4158 0.0000 . 1 . . . . A 54 GLN CA . 30870 1 426 . 1 . 1 54 54 GLN CB C 13 31.8570 0.0000 . 1 . . . . A 54 GLN CB . 30870 1 427 . 1 . 1 54 54 GLN CG C 13 33.7900 0.0000 . 1 . . . . A 54 GLN CG . 30870 1 428 . 1 . 1 54 54 GLN N N 15 120.4346 0.0000 . 1 . . 65 . A 54 GLN N . 30870 1 429 . 1 . 1 55 55 GLU H H 1 8.3526 0.0000 . 1 . . 129 . A 55 GLU H . 30870 1 430 . 1 . 1 55 55 GLU HA H 1 4.2700 0.0000 . 1 . . . . A 55 GLU HA . 30870 1 431 . 1 . 1 55 55 GLU HB2 H 1 2.2890 0.0000 . 2 . . . . A 55 GLU HB2 . 30870 1 432 . 1 . 1 55 55 GLU HG2 H 1 2.2840 0.0000 . 2 . . . . A 55 GLU HG2 . 30870 1 433 . 1 . 1 55 55 GLU CA C 13 56.7371 0.0000 . 1 . . . . A 55 GLU CA . 30870 1 434 . 1 . 1 55 55 GLU CB C 13 30.3940 0.0000 . 1 . . . . A 55 GLU CB . 30870 1 435 . 1 . 1 55 55 GLU CG C 13 36.3080 0.0000 . 1 . . . . A 55 GLU CG . 30870 1 436 . 1 . 1 55 55 GLU N N 15 120.5686 0.0000 . 1 . . 131 . A 55 GLU N . 30870 1 437 . 1 . 1 56 56 GLU H H 1 8.2869 0.0000 . 1 . . 90 . A 56 GLU H . 30870 1 438 . 1 . 1 56 56 GLU HA H 1 4.3090 0.0000 . 1 . . . . A 56 GLU HA . 30870 1 439 . 1 . 1 56 56 GLU HB2 H 1 2.2880 0.0000 . 2 . . . . A 56 GLU HB2 . 30870 1 440 . 1 . 1 56 56 GLU HG2 H 1 2.2880 0.0000 . 2 . . . . A 56 GLU HG2 . 30870 1 441 . 1 . 1 56 56 GLU CA C 13 56.4184 0.0000 . 1 . . . . A 56 GLU CA . 30870 1 442 . 1 . 1 56 56 GLU CB C 13 32.7670 0.0000 . 1 . . . . A 56 GLU CB . 30870 1 443 . 1 . 1 56 56 GLU CG C 13 36.4010 0.0000 . 1 . . . . A 56 GLU CG . 30870 1 444 . 1 . 1 56 56 GLU N N 15 121.3242 0.0000 . 1 . . 92 . A 56 GLU N . 30870 1 445 . 1 . 1 57 57 ARG H H 1 7.9131 0.0000 . 1 . . 153 . A 57 ARG H . 30870 1 446 . 1 . 1 57 57 ARG HA H 1 4.2450 0.0000 . 1 . . . . A 57 ARG HA . 30870 1 447 . 1 . 1 57 57 ARG HB2 H 1 1.8900 0.0000 . 2 . . . . A 57 ARG HB2 . 30870 1 448 . 1 . 1 57 57 ARG HG2 H 1 1.6800 0.0000 . 2 . . . . A 57 ARG HG2 . 30870 1 449 . 1 . 1 57 57 ARG HD2 H 1 3.1890 0.0000 . 2 . . . . A 57 ARG HD2 . 30870 1 450 . 1 . 1 57 57 ARG CA C 13 57.3283 0.0000 . 1 . . . . A 57 ARG CA . 30870 1 451 . 1 . 1 57 57 ARG CB C 13 31.6852 0.0000 . 1 . . . . A 57 ARG CB . 30870 1 452 . 1 . 1 57 57 ARG CG C 13 27.4000 0.0000 . 1 . . . . A 57 ARG CG . 30870 1 453 . 1 . 1 57 57 ARG CD C 13 43.8966 0.0000 . 1 . . . . A 57 ARG CD . 30870 1 454 . 1 . 1 57 57 ARG N N 15 126.8667 0.0000 . 1 . . 155 . A 57 ARG N . 30870 1 stop_ save_