################################### # 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 51731 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CS_assignment _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 . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 2 '2D 1H-15N HSQC' . . . 51731 1 3 '2D 1H-1H TOCSY' . . . 51731 1 4 '2D 1H-1H NOESY' . . . 51731 1 5 '3D 1H-15N NOESY' . . . 51731 1 6 '3D 1H-15N TOCSY' . . . 51731 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 . . 51731 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 GLU HA H 1 3.9880 0.01 . 1 . . . . . 1 GLU HA . 51731 1 2 . 1 . 1 2 2 ALA H H 1 8.6950 0.01 . 1 . . . . . 2 ALA H . 51731 1 3 . 1 . 1 2 2 ALA HA H 1 4.2700 0.01 . 1 . . . . . 2 ALA HA . 51731 1 4 . 1 . 1 2 2 ALA HB1 H 1 1.3630 0.01 . 1 . . . . . 2 ALA HB1 . 51731 1 5 . 1 . 1 2 2 ALA HB2 H 1 1.3630 0.01 . 1 . . . . . 2 ALA HB1 . 51731 1 6 . 1 . 1 2 2 ALA HB3 H 1 1.3630 0.01 . 1 . . . . . 2 ALA HB1 . 51731 1 7 . 1 . 1 2 2 ALA N N 15 126.7620 0.1 . 1 . . . . . 2 ALA N . 51731 1 8 . 1 . 1 3 3 GLU H H 1 8.4430 0.01 . 1 . . . . . 3 GLU H . 51731 1 9 . 1 . 1 3 3 GLU HA H 1 4.2550 0.01 . 1 . . . . . 3 GLU HA . 51731 1 10 . 1 . 1 3 3 GLU HB2 H 1 2.0700 0.01 . 2 . . . . . 3 GLU HB2 . 51731 1 11 . 1 . 1 3 3 GLU HG2 H 1 2.3150 0.01 . 2 . . . . . 3 GLU HG2 . 51731 1 12 . 1 . 1 3 3 GLU N N 15 121.5080 0.1 . 1 . . . . . 3 GLU N . 51731 1 13 . 1 . 1 4 4 ALA H H 1 8.3450 0.01 . 1 . . . . . 4 ALA H . 51731 1 14 . 1 . 1 4 4 ALA HA H 1 4.2670 0.01 . 1 . . . . . 4 ALA HA . 51731 1 15 . 1 . 1 4 4 ALA HB1 H 1 1.3890 0.01 . 1 . . . . . 4 ALA HB1 . 51731 1 16 . 1 . 1 4 4 ALA HB2 H 1 1.3890 0.01 . 1 . . . . . 4 ALA HB1 . 51731 1 17 . 1 . 1 4 4 ALA HB3 H 1 1.3890 0.01 . 1 . . . . . 4 ALA HB1 . 51731 1 18 . 1 . 1 4 4 ALA N N 15 126.3450 0.1 . 1 . . . . . 4 ALA N . 51731 1 19 . 1 . 1 5 5 SER H H 1 8.1930 0.01 . 1 . . . . . 5 SER H . 51731 1 20 . 1 . 1 5 5 SER HA H 1 4.4130 0.01 . 1 . . . . . 5 SER HA . 51731 1 21 . 1 . 1 5 5 SER HB2 H 1 3.8390 0.01 . 2 . . . . . 5 SER HB2 . 51731 1 22 . 1 . 1 5 5 SER N N 15 115.7880 0.1 . 1 . . . . . 5 SER N . 51731 1 23 . 1 . 1 6 6 ASP H H 1 8.2490 0.01 . 1 . . . . . 6 ASP H . 51731 1 24 . 1 . 1 6 6 ASP HA H 1 4.6480 0.01 . 1 . . . . . 6 ASP HA . 51731 1 25 . 1 . 1 6 6 ASP HB2 H 1 2.6920 0.01 . 2 . . . . . 6 ASP HB2 . 51731 1 26 . 1 . 1 6 6 ASP N N 15 123.2830 0.1 . 1 . . . . . 6 ASP N . 51731 1 27 . 1 . 1 7 7 SER H H 1 8.0170 0.01 . 1 . . . . . 7 SER H . 51731 1 28 . 1 . 1 7 7 SER HA H 1 4.4110 0.01 . 1 . . . . . 7 SER HA . 51731 1 29 . 1 . 1 7 7 SER HB2 H 1 3.7820 0.01 . 2 . . . . . 7 SER HB2 . 51731 1 30 . 1 . 1 7 7 SER N N 15 116.5760 0.1 . 1 . . . . . 7 SER N . 51731 1 31 . 1 . 1 8 8 TYR H H 1 8.3250 0.01 . 1 . . . . . 8 TYR H . 51731 1 32 . 1 . 1 8 8 TYR HA H 1 4.4770 0.01 . 1 . . . . . 8 TYR HA . 51731 1 33 . 1 . 1 8 8 TYR HB2 H 1 3.0490 0.01 . 2 . . . . . 8 TYR HB2 . 51731 1 34 . 1 . 1 8 8 TYR HE1 H 1 6.7870 0.01 . 3 . . . . . 8 TYR HE1 . 51731 1 35 . 1 . 1 8 8 TYR HE2 H 1 6.6250 0.01 . 3 . . . . . 8 TYR HE2 . 51731 1 36 . 1 . 1 8 8 TYR N N 15 125.1020 0.1 . 1 . . . . . 8 TYR N . 51731 1 37 . 1 . 1 9 9 ASP H H 1 7.8320 0.01 . 1 . . . . . 9 ASP H . 51731 1 38 . 1 . 1 9 9 ASP HA H 1 4.6720 0.01 . 1 . . . . . 9 ASP HA . 51731 1 39 . 1 . 1 9 9 ASP HB2 H 1 2.6930 0.01 . 2 . . . . . 9 ASP HB2 . 51731 1 40 . 1 . 1 9 9 ASP N N 15 129.6700 0.1 . 1 . . . . . 9 ASP N . 51731 1 41 . 1 . 1 11 11 CYS H H 1 7.8960 0.01 . 1 . . . . . 11 CYS H . 51731 1 42 . 1 . 1 11 11 CYS HA H 1 5.1530 0.01 . 1 . . . . . 11 CYS HA . 51731 1 43 . 1 . 1 11 11 CYS HB2 H 1 2.6910 0.01 . 2 . . . . . 11 CYS HB2 . 51731 1 44 . 1 . 1 11 11 CYS N N 15 115.9710 0.1 . 1 . . . . . 11 CYS N . 51731 1 45 . 1 . 1 12 12 THR H H 1 6.8330 0.01 . 1 . . . . . 12 THR H . 51731 1 46 . 1 . 1 12 12 THR HA H 1 3.8180 0.01 . 1 . . . . . 12 THR HA . 51731 1 47 . 1 . 1 12 12 THR HB H 1 4.0250 0.01 . 1 . . . . . 12 THR HB . 51731 1 48 . 1 . 1 12 12 THR HG21 H 1 1.2060 0.01 . 1 . . . . . 12 THR HG21 . 51731 1 49 . 1 . 1 12 12 THR HG22 H 1 1.2060 0.01 . 1 . . . . . 12 THR HG21 . 51731 1 50 . 1 . 1 12 12 THR HG23 H 1 1.2060 0.01 . 1 . . . . . 12 THR HG21 . 51731 1 51 . 1 . 1 12 12 THR N N 15 119.4550 0.1 . 1 . . . . . 12 THR N . 51731 1 52 . 1 . 1 13 13 GLY H H 1 8.5210 0.01 . 1 . . . . . 13 GLY H . 51731 1 53 . 1 . 1 13 13 GLY HA2 H 1 4.0150 0.01 . 2 . . . . . 13 GLY HA2 . 51731 1 54 . 1 . 1 13 13 GLY N N 15 114.6310 0.1 . 1 . . . . . 13 GLY N . 51731 1 55 . 1 . 1 14 14 LEU H H 1 7.4570 0.01 . 1 . . . . . 14 LEU H . 51731 1 56 . 1 . 1 14 14 LEU HA H 1 4.5670 0.01 . 1 . . . . . 14 LEU HA . 51731 1 57 . 1 . 1 14 14 LEU HB2 H 1 1.9930 0.01 . 2 . . . . . 14 LEU HB2 . 51731 1 58 . 1 . 1 14 14 LEU HG H 1 1.3900 0.01 . 1 . . . . . 14 LEU HG . 51731 1 59 . 1 . 1 14 14 LEU HD11 H 1 1.0150 0.01 . 2 . . . . . 14 LEU HD11 . 51731 1 60 . 1 . 1 14 14 LEU HD12 H 1 1.0150 0.01 . 2 . . . . . 14 LEU HD11 . 51731 1 61 . 1 . 1 14 14 LEU HD13 H 1 1.0150 0.01 . 2 . . . . . 14 LEU HD11 . 51731 1 62 . 1 . 1 14 14 LEU HD21 H 1 0.8070 0.01 . 2 . . . . . 14 LEU HD21 . 51731 1 63 . 1 . 1 14 14 LEU HD22 H 1 0.8070 0.01 . 2 . . . . . 14 LEU HD21 . 51731 1 64 . 1 . 1 14 14 LEU HD23 H 1 0.8070 0.01 . 2 . . . . . 14 LEU HD21 . 51731 1 65 . 1 . 1 14 14 LEU N N 15 119.9390 0.1 . 1 . . . . . 14 LEU N . 51731 1 66 . 1 . 1 15 15 LEU H H 1 8.5030 0.01 . 1 . . . . . 15 LEU H . 51731 1 67 . 1 . 1 15 15 LEU HA H 1 3.9970 0.01 . 1 . . . . . 15 LEU HA . 51731 1 68 . 1 . 1 15 15 LEU HB2 H 1 1.4880 0.01 . 2 . . . . . 15 LEU HB2 . 51731 1 69 . 1 . 1 15 15 LEU N N 15 120.5380 0.1 . 1 . . . . . 15 LEU N . 51731 1 70 . 1 . 1 19 19 PRO HA H 1 4.8400 0.01 . 1 . . . . . 19 PRO HA . 51731 1 71 . 1 . 1 19 19 PRO HB2 H 1 2.1180 0.01 . 2 . . . . . 19 PRO HB# . 51731 1 72 . 1 . 1 19 19 PRO HB3 H 1 2.1180 0.01 . 2 . . . . . 19 PRO HB# . 51731 1 73 . 1 . 1 19 19 PRO HD2 H 1 3.850 0.01 . 2 . . . . . 19 PRO HD# . 51731 1 74 . 1 . 1 19 19 PRO HD3 H 1 3.850 0.01 . 2 . . . . . 19 PRO HD# . 51731 1 75 . 1 . 1 20 20 GLN H H 1 9.2770 0.01 . 1 . . . . . 20 GLN H . 51731 1 76 . 1 . 1 20 20 GLN HA H 1 5.5570 0.01 . 1 . . . . . 20 GLN HA . 51731 1 77 . 1 . 1 20 20 GLN HB2 H 1 2.7410 0.01 . 2 . . . . . 20 GLN HB2 . 51731 1 78 . 1 . 1 20 20 GLN N N 15 117.0500 0.1 . 1 . . . . . 20 GLN N . 51731 1 79 . 1 . 1 21 21 CYS H H 1 9.5210 0.01 . 1 . . . . . 21 CYS H . 51731 1 80 . 1 . 1 21 21 CYS HA H 1 5.3620 0.01 . 1 . . . . . 21 CYS HA . 51731 1 81 . 1 . 1 21 21 CYS HB2 H 1 3.1480 0.01 . 2 . . . . . 21 CYS HB2 . 51731 1 82 . 1 . 1 21 21 CYS N N 15 126.0900 0.1 . 1 . . . . . 21 CYS N . 51731 1 83 . 1 . 1 22 22 CYS H H 1 8.6100 0.01 . 1 . . . . . 22 CYS H . 51731 1 84 . 1 . 1 22 22 CYS HA H 1 4.7840 0.01 . 1 . . . . . 22 CYS HA . 51731 1 85 . 1 . 1 22 22 CYS HB2 H 1 2.8490 0.01 . 2 . . . . . 22 CYS HB2 . 51731 1 86 . 1 . 1 22 22 CYS N N 15 123.3800 0.1 . 1 . . . . . 22 CYS N . 51731 1 87 . 1 . 1 24 24 THR HG21 H 1 0.9740 0.01 . 1 . . . . . 24 THR HG21 . 51731 1 88 . 1 . 1 24 24 THR HG22 H 1 0.9740 0.01 . 1 . . . . . 24 THR HG21 . 51731 1 89 . 1 . 1 24 24 THR HG23 H 1 0.9740 0.01 . 1 . . . . . 24 THR HG21 . 51731 1 90 . 1 . 1 25 25 ASP H H 1 8.2080 0.01 . 1 . . . . . 25 ASP H . 51731 1 91 . 1 . 1 25 25 ASP HA H 1 4.6400 0.01 . 1 . . . . . 25 ASP HA . 51731 1 92 . 1 . 1 25 25 ASP HB2 H 1 2.6390 0.01 . 2 . . . . . 25 ASP HB2 . 51731 1 93 . 1 . 1 25 25 ASP N N 15 112.5120 0.1 . 1 . . . . . 25 ASP N . 51731 1 94 . 1 . 1 26 26 ILE H H 1 7.9690 0.01 . 1 . . . . . 26 ILE H . 51731 1 95 . 1 . 1 26 26 ILE HA H 1 4.0460 0.01 . 1 . . . . . 26 ILE HA . 51731 1 96 . 1 . 1 26 26 ILE HB H 1 1.8980 0.01 . 1 . . . . . 26 ILE HB . 51731 1 97 . 1 . 1 26 26 ILE HG12 H 1 1.2630 0.01 . 1 . . . . . 26 ILE HG12 . 51731 1 98 . 1 . 1 26 26 ILE HD11 H 1 0.9200 0.01 . 1 . . . . . 26 ILE HD11 . 51731 1 99 . 1 . 1 26 26 ILE HD12 H 1 0.9200 0.01 . 1 . . . . . 26 ILE HD11 . 51731 1 100 . 1 . 1 26 26 ILE HD13 H 1 0.9200 0.01 . 1 . . . . . 26 ILE HD11 . 51731 1 101 . 1 . 1 26 26 ILE N N 15 118.8900 0.1 . 1 . . . . . 26 ILE N . 51731 1 102 . 1 . 1 27 27 LEU H H 1 7.9120 0.01 . 1 . . . . . 27 LEU H . 51731 1 103 . 1 . 1 27 27 LEU HA H 1 4.3370 0.01 . 1 . . . . . 27 LEU HA . 51731 1 104 . 1 . 1 27 27 LEU HB2 H 1 1.8580 0.01 . 2 . . . . . 27 LEU HB2 . 51731 1 105 . 1 . 1 27 27 LEU HG H 1 1.5970 0.01 . 1 . . . . . 27 LEU HG . 51731 1 106 . 1 . 1 27 27 LEU HD11 H 1 0.8850 0.01 . 2 . . . . . 27 LEU HD11 . 51731 1 107 . 1 . 1 27 27 LEU HD12 H 1 0.8850 0.01 . 2 . . . . . 27 LEU HD11 . 51731 1 108 . 1 . 1 27 27 LEU HD13 H 1 0.8850 0.01 . 2 . . . . . 27 LEU HD11 . 51731 1 109 . 1 . 1 27 27 LEU N N 15 122.1950 0.1 . 1 . . . . . 27 LEU N . 51731 1 110 . 1 . 1 28 28 GLY H H 1 8.0560 0.01 . 1 . . . . . 28 GLY H . 51731 1 111 . 1 . 1 28 28 GLY HA2 H 1 4.0480 0.01 . 2 . . . . . 28 GLY HA2 . 51731 1 112 . 1 . 1 28 28 GLY N N 15 109.3520 0.1 . 1 . . . . . 28 GLY N . 51731 1 113 . 1 . 1 29 29 VAL H H 1 8.2420 0.01 . 1 . . . . . 29 VAL H . 51731 1 114 . 1 . 1 29 29 VAL HA H 1 3.9420 0.01 . 1 . . . . . 29 VAL HA . 51731 1 115 . 1 . 1 29 29 VAL HB H 1 2.1710 0.01 . 1 . . . . . 29 VAL HB . 51731 1 116 . 1 . 1 29 29 VAL HG11 H 1 0.8690 0.01 . 2 . . . . . 29 VAL HG11 . 51731 1 117 . 1 . 1 29 29 VAL HG12 H 1 0.8690 0.01 . 2 . . . . . 29 VAL HG11 . 51731 1 118 . 1 . 1 29 29 VAL HG13 H 1 0.8690 0.01 . 2 . . . . . 29 VAL HG11 . 51731 1 119 . 1 . 1 29 29 VAL HG21 H 1 0.8690 0.01 . 2 . . . . . 29 VAL HG21 . 51731 1 120 . 1 . 1 29 29 VAL HG22 H 1 0.8690 0.01 . 2 . . . . . 29 VAL HG21 . 51731 1 121 . 1 . 1 29 29 VAL HG23 H 1 0.8690 0.01 . 2 . . . . . 29 VAL HG21 . 51731 1 122 . 1 . 1 29 29 VAL N N 15 123.0610 0.1 . 1 . . . . . 29 VAL N . 51731 1 123 . 1 . 1 30 30 ALA H H 1 8.4720 0.01 . 1 . . . . . 30 ALA H . 51731 1 124 . 1 . 1 30 30 ALA HA H 1 4.5090 0.01 . 1 . . . . . 30 ALA HA . 51731 1 125 . 1 . 1 30 30 ALA HB1 H 1 1.2010 0.01 . 1 . . . . . 30 ALA HB1 . 51731 1 126 . 1 . 1 30 30 ALA HB2 H 1 1.2010 0.01 . 1 . . . . . 30 ALA HB1 . 51731 1 127 . 1 . 1 30 30 ALA HB3 H 1 1.2010 0.01 . 1 . . . . . 30 ALA HB1 . 51731 1 128 . 1 . 1 30 30 ALA N N 15 130.3630 0.1 . 1 . . . . . 30 ALA N . 51731 1 129 . 1 . 1 31 31 ASN H H 1 8.1990 0.01 . 1 . . . . . 31 ASN H . 51731 1 130 . 1 . 1 31 31 ASN HA H 1 4.7330 0.01 . 1 . . . . . 31 ASN HA . 51731 1 131 . 1 . 1 31 31 ASN HB2 H 1 2.9000 0.01 . 2 . . . . . 31 ASN HB2 . 51731 1 132 . 1 . 1 31 31 ASN N N 15 121.0500 0.1 . 1 . . . . . 31 ASN N . 51731 1 133 . 1 . 1 32 32 LEU H H 1 7.8390 0.01 . 1 . . . . . 32 LEU H . 51731 1 134 . 1 . 1 32 32 LEU HA H 1 4.4670 0.01 . 1 . . . . . 32 LEU HA . 51731 1 135 . 1 . 1 32 32 LEU HB2 H 1 1.4670 0.01 . 2 . . . . . 32 LEU HB2 . 51731 1 136 . 1 . 1 32 32 LEU HG H 1 1.6700 0.01 . 1 . . . . . 32 LEU HG . 51731 1 137 . 1 . 1 32 32 LEU HD11 H 1 0.8080 0.01 . 2 . . . . . 32 LEU HD11 . 51731 1 138 . 1 . 1 32 32 LEU HD12 H 1 0.8080 0.01 . 2 . . . . . 32 LEU HD11 . 51731 1 139 . 1 . 1 32 32 LEU HD13 H 1 0.8080 0.01 . 2 . . . . . 32 LEU HD11 . 51731 1 140 . 1 . 1 32 32 LEU HD21 H 1 0.6480 0.01 . 2 . . . . . 32 LEU HD21 . 51731 1 141 . 1 . 1 32 32 LEU HD22 H 1 0.6480 0.01 . 2 . . . . . 32 LEU HD21 . 51731 1 142 . 1 . 1 32 32 LEU HD23 H 1 0.6480 0.01 . 2 . . . . . 32 LEU HD21 . 51731 1 143 . 1 . 1 32 32 LEU N N 15 119.8890 0.1 . 1 . . . . . 32 LEU N . 51731 1 144 . 1 . 1 33 33 ASP H H 1 8.4530 0.01 . 1 . . . . . 33 ASP H . 51731 1 145 . 1 . 1 33 33 ASP HA H 1 4.6720 0.01 . 1 . . . . . 33 ASP HA . 51731 1 146 . 1 . 1 33 33 ASP HB2 H 1 3.0440 0.01 . 2 . . . . . 33 ASP HB2 . 51731 1 147 . 1 . 1 33 33 ASP N N 15 124.1540 0.1 . 1 . . . . . 33 ASP N . 51731 1 148 . 1 . 1 34 34 CYS H H 1 7.9240 0.01 . 1 . . . . . 34 CYS H . 51731 1 149 . 1 . 1 34 34 CYS HA H 1 5.0880 0.01 . 1 . . . . . 34 CYS HA . 51731 1 150 . 1 . 1 34 34 CYS HB2 H 1 3.0970 0.01 . 2 . . . . . 34 CYS HB2 . 51731 1 151 . 1 . 1 34 34 CYS N N 15 123.9470 0.1 . 1 . . . . . 34 CYS N . 51731 1 152 . 1 . 1 35 35 HIS H H 1 8.2760 0.01 . 1 . . . . . 35 HIS H . 51731 1 153 . 1 . 1 35 35 HIS HA H 1 5.0360 0.01 . 1 . . . . . 35 HIS HA . 51731 1 154 . 1 . 1 35 35 HIS HB2 H 1 3.4710 0.01 . 2 . . . . . 35 HIS HB2 . 51731 1 155 . 1 . 1 35 35 HIS HE1 H 1 8.3210 0.01 . 1 . . . . . 35 HIS HE1 . 51731 1 156 . 1 . 1 35 35 HIS HE2 H 1 7.2750 0.01 . 1 . . . . . 35 HIS HE2 . 51731 1 157 . 1 . 1 35 35 HIS N N 15 117.1020 0.1 . 1 . . . . . 35 HIS N . 51731 1 158 . 1 . 1 36 36 GLY H H 1 9.0170 0.01 . 1 . . . . . 36 GLY H . 51731 1 159 . 1 . 1 36 36 GLY HA2 H 1 4.3190 0.01 . 2 . . . . . 36 GLY HA2 . 51731 1 160 . 1 . 1 36 36 GLY N N 15 109.7960 0.1 . 1 . . . . . 36 GLY N . 51731 1 161 . 1 . 1 38 38 PRO HA H 1 4.8580 0.01 . 1 . . . . . 38 PRO HA . 51731 1 162 . 1 . 1 38 38 PRO HB2 H 1 2.4330 0.01 . 2 . . . . . 38 PRO HB2 . 51731 1 163 . 1 . 1 38 38 PRO HG2 H 1 2.0200 0.01 . 2 . . . . . 38 PRO HG2 . 51731 1 164 . 1 . 1 38 38 PRO HD2 H 1 3.8930 0.01 . 2 . . . . . 38 PRO HD2 . 51731 1 165 . 1 . 1 39 39 SER H H 1 7.0460 0.01 . 1 . . . . . 39 SER H . 51731 1 166 . 1 . 1 39 39 SER HA H 1 4.4630 0.01 . 1 . . . . . 39 SER HA . 51731 1 167 . 1 . 1 39 39 SER HB2 H 1 3.6820 0.01 . 2 . . . . . 39 SER HB2 . 51731 1 168 . 1 . 1 39 39 SER N N 15 110.7870 0.1 . 1 . . . . . 39 SER N . 51731 1 169 . 1 . 1 40 40 VAL H H 1 8.3440 0.01 . 1 . . . . . 40 VAL H . 51731 1 170 . 1 . 1 40 40 VAL HA H 1 3.9940 0.01 . 1 . . . . . 40 VAL HA . 51731 1 171 . 1 . 1 40 40 VAL HB H 1 1.9110 0.01 . 1 . . . . . 40 VAL HB . 51731 1 172 . 1 . 1 40 40 VAL HG11 H 1 0.9950 0.01 . 2 . . . . . 40 VAL HG11 . 51731 1 173 . 1 . 1 40 40 VAL HG12 H 1 0.9950 0.01 . 2 . . . . . 40 VAL HG11 . 51731 1 174 . 1 . 1 40 40 VAL HG13 H 1 0.9950 0.01 . 2 . . . . . 40 VAL HG11 . 51731 1 175 . 1 . 1 40 40 VAL HG21 H 1 0.8810 0.01 . 2 . . . . . 40 VAL HG21 . 51731 1 176 . 1 . 1 40 40 VAL HG22 H 1 0.8810 0.01 . 2 . . . . . 40 VAL HG21 . 51731 1 177 . 1 . 1 40 40 VAL HG23 H 1 0.8810 0.01 . 2 . . . . . 40 VAL HG21 . 51731 1 178 . 1 . 1 40 40 VAL N N 15 125.9220 0.1 . 1 . . . . . 40 VAL N . 51731 1 179 . 1 . 1 44 44 PRO HA H 1 4.5700 0.01 . 1 . . . . . 44 PRO HA . 51731 1 180 . 1 . 1 44 44 PRO HB2 H 1 2.1970 0.01 . 2 . . . . . 44 PRO HB2 . 51731 1 181 . 1 . 1 44 44 PRO HG2 H 1 1.9890 0.01 . 2 . . . . . 44 PRO HG2 . 51731 1 182 . 1 . 1 44 44 PRO HD2 H 1 3.0040 0.01 . 2 . . . . . 44 PRO HD2 . 51731 1 183 . 1 . 1 45 45 SER H H 1 7.9940 0.01 . 1 . . . . . 45 SER H . 51731 1 184 . 1 . 1 45 45 SER HA H 1 4.1650 0.01 . 1 . . . . . 45 SER HA . 51731 1 185 . 1 . 1 45 45 SER HB2 H 1 3.8130 0.01 . 2 . . . . . 45 SER HB2 . 51731 1 186 . 1 . 1 45 45 SER N N 15 112.5350 0.1 . 1 . . . . . 45 SER N . 51731 1 187 . 1 . 1 46 46 GLN H H 1 7.7260 0.01 . 1 . . . . . 46 GLN H . 51731 1 188 . 1 . 1 46 46 GLN HA H 1 4.0460 0.01 . 1 . . . . . 46 GLN HA . 51731 1 189 . 1 . 1 46 46 GLN HB2 H 1 2.4320 0.01 . 2 . . . . . 46 GLN HB2 . 51731 1 190 . 1 . 1 46 46 GLN HG2 H 1 1.7550 0.01 . 2 . . . . . 46 GLN HG2 . 51731 1 191 . 1 . 1 46 46 GLN N N 15 127.0010 0.1 . 1 . . . . . 46 GLN N . 51731 1 192 . 1 . 1 47 47 PHE H H 1 8.6830 0.01 . 1 . . . . . 47 PHE H . 51731 1 193 . 1 . 1 47 47 PHE HA H 1 4.7760 0.01 . 1 . . . . . 47 PHE HA . 51731 1 194 . 1 . 1 47 47 PHE HB2 H 1 3.6030 0.01 . 2 . . . . . 47 PHE HB2 . 51731 1 195 . 1 . 1 47 47 PHE N N 15 125.6390 0.1 . 1 . . . . . 47 PHE N . 51731 1 196 . 1 . 1 48 48 GLN H H 1 8.0140 0.01 . 1 . . . . . 48 GLN H . 51731 1 197 . 1 . 1 48 48 GLN HA H 1 3.8730 0.01 . 1 . . . . . 48 GLN HA . 51731 1 198 . 1 . 1 48 48 GLN HB2 H 1 2.0140 0.01 . 2 . . . . . 48 GLN HB2 . 51731 1 199 . 1 . 1 48 48 GLN HG2 H 1 2.3790 0.01 . 2 . . . . . 48 GLN HG2 . 51731 1 200 . 1 . 1 48 48 GLN N N 15 119.7090 0.1 . 1 . . . . . 48 GLN N . 51731 1 201 . 1 . 1 49 49 ALA H H 1 8.2820 0.01 . 1 . . . . . 49 ALA H . 51731 1 202 . 1 . 1 49 49 ALA HA H 1 4.0360 0.01 . 1 . . . . . 49 ALA HA . 51731 1 203 . 1 . 1 49 49 ALA HB1 H 1 1.4950 0.01 . 1 . . . . . 49 ALA HB1 . 51731 1 204 . 1 . 1 49 49 ALA HB2 H 1 1.4950 0.01 . 1 . . . . . 49 ALA HB1 . 51731 1 205 . 1 . 1 49 49 ALA HB3 H 1 1.4950 0.01 . 1 . . . . . 49 ALA HB1 . 51731 1 206 . 1 . 1 49 49 ALA N N 15 121.7180 0.1 . 1 . . . . . 49 ALA N . 51731 1 207 . 1 . 1 50 50 SER H H 1 8.6990 0.01 . 1 . . . . . 50 SER H . 51731 1 208 . 1 . 1 50 50 SER HA H 1 4.2150 0.01 . 1 . . . . . 50 SER HA . 51731 1 209 . 1 . 1 50 50 SER N N 15 118.2450 0.1 . 1 . . . . . 50 SER N . 51731 1 210 . 1 . 1 51 51 CYS H H 1 7.6410 0.01 . 1 . . . . . 51 CYS H . 51731 1 211 . 1 . 1 51 51 CYS HA H 1 4.8000 0.01 . 1 . . . . . 51 CYS HA . 51731 1 212 . 1 . 1 51 51 CYS HG H 1 2.5450 0.01 . 1 . . . . . 51 CYS HG . 51731 1 213 . 1 . 1 51 51 CYS N N 15 120.0920 0.1 . 1 . . . . . 51 CYS N . 51731 1 214 . 1 . 1 52 52 VAL H H 1 8.3870 0.01 . 1 . . . . . 52 VAL H . 51731 1 215 . 1 . 1 52 52 VAL HA H 1 3.7130 0.01 . 1 . . . . . 52 VAL HA . 51731 1 216 . 1 . 1 52 52 VAL HB H 1 2.1080 0.01 . 1 . . . . . 52 VAL HB . 51731 1 217 . 1 . 1 52 52 VAL HG21 H 1 1.0800 0.01 . 2 . . . . . 52 VAL HG21 . 51731 1 218 . 1 . 1 52 52 VAL HG22 H 1 1.0800 0.01 . 2 . . . . . 52 VAL HG21 . 51731 1 219 . 1 . 1 52 52 VAL HG23 H 1 1.0800 0.01 . 2 . . . . . 52 VAL HG21 . 51731 1 220 . 1 . 1 52 52 VAL N N 15 126.1200 0.1 . 1 . . . . . 52 VAL N . 51731 1 221 . 1 . 1 53 53 ALA H H 1 7.8710 0.01 . 1 . . . . . 53 ALA H . 51731 1 222 . 1 . 1 53 53 ALA HA H 1 4.2040 0.01 . 1 . . . . . 53 ALA HA . 51731 1 223 . 1 . 1 53 53 ALA HB1 H 1 1.5390 0.01 . 1 . . . . . 53 ALA HB1 . 51731 1 224 . 1 . 1 53 53 ALA HB2 H 1 1.5390 0.01 . 1 . . . . . 53 ALA HB1 . 51731 1 225 . 1 . 1 53 53 ALA HB3 H 1 1.5390 0.01 . 1 . . . . . 53 ALA HB1 . 51731 1 226 . 1 . 1 53 53 ALA N N 15 123.1100 0.1 . 1 . . . . . 53 ALA N . 51731 1 227 . 1 . 1 54 54 ASP H H 1 7.3970 0.01 . 1 . . . . . 54 ASP H . 51731 1 228 . 1 . 1 54 54 ASP HA H 1 4.8800 0.01 . 1 . . . . . 54 ASP HA . 51731 1 229 . 1 . 1 54 54 ASP HB2 H 1 3.2650 0.01 . 2 . . . . . 54 ASP HB2 . 51731 1 230 . 1 . 1 54 54 ASP N N 15 122.2400 0.1 . 1 . . . . . 54 ASP N . 51731 1 231 . 1 . 1 55 55 GLY H H 1 7.6230 0.01 . 1 . . . . . 55 GLY H . 51731 1 232 . 1 . 1 55 55 GLY HA2 H 1 3.8340 0.01 . 2 . . . . . 55 GLY HA2 . 51731 1 233 . 1 . 1 55 55 GLY N N 15 106.7550 0.1 . 1 . . . . . 55 GLY N . 51731 1 234 . 1 . 1 56 56 GLY H H 1 8.3820 0.01 . 1 . . . . . 56 GLY H . 51731 1 235 . 1 . 1 56 56 GLY HA2 H 1 3.8910 0.01 . 2 . . . . . 56 GLY HA2 . 51731 1 236 . 1 . 1 56 56 GLY N N 15 109.6180 0.1 . 1 . . . . . 56 GLY N . 51731 1 237 . 1 . 1 57 57 ARG H H 1 6.8310 0.01 . 1 . . . . . 57 ARG H . 51731 1 238 . 1 . 1 57 57 ARG HA H 1 4.0940 0.01 . 1 . . . . . 57 ARG HA . 51731 1 239 . 1 . 1 57 57 ARG HB2 H 1 1.5990 0.01 . 2 . . . . . 57 ARG HB2 . 51731 1 240 . 1 . 1 57 57 ARG HG2 H 1 1.2800 0.01 . 2 . . . . . 57 ARG HG2 . 51731 1 241 . 1 . 1 57 57 ARG HD2 H 1 3.3170 0.01 . 2 . . . . . 57 ARG HD2 . 51731 1 242 . 1 . 1 57 57 ARG N N 15 121.8820 0.1 . 1 . . . . . 57 ARG N . 51731 1 243 . 1 . 1 58 58 SER H H 1 8.7110 0.01 . 1 . . . . . 58 SER H . 51731 1 244 . 1 . 1 58 58 SER HA H 1 4.6600 0.01 . 1 . . . . . 58 SER HA . 51731 1 245 . 1 . 1 58 58 SER HB2 H 1 3.5790 0.01 . 2 . . . . . 58 SER HB2 . 51731 1 246 . 1 . 1 58 58 SER N N 15 112.6740 0.1 . 1 . . . . . 58 SER N . 51731 1 247 . 1 . 1 59 59 ALA H H 1 8.4020 0.01 . 1 . . . . . 59 ALA H . 51731 1 248 . 1 . 1 59 59 ALA HA H 1 4.5150 0.01 . 1 . . . . . 59 ALA HA . 51731 1 249 . 1 . 1 59 59 ALA HB1 H 1 -0.0680 0.01 . 1 . . . . . 59 ALA HB1 . 51731 1 250 . 1 . 1 59 59 ALA HB2 H 1 -0.0680 0.01 . 1 . . . . . 59 ALA HB1 . 51731 1 251 . 1 . 1 59 59 ALA HB3 H 1 -0.0680 0.01 . 1 . . . . . 59 ALA HB1 . 51731 1 252 . 1 . 1 59 59 ALA N N 15 130.9140 0.1 . 1 . . . . . 59 ALA N . 51731 1 253 . 1 . 1 60 60 ARG H H 1 7.8050 0.01 . 1 . . . . . 60 ARG H . 51731 1 254 . 1 . 1 60 60 ARG HA H 1 4.2050 0.01 . 1 . . . . . 60 ARG HA . 51731 1 255 . 1 . 1 60 60 ARG HB2 H 1 1.8820 0.01 . 2 . . . . . 60 ARG HB2 . 51731 1 256 . 1 . 1 60 60 ARG HG2 H 1 1.3370 0.01 . 2 . . . . . 60 ARG HG2 . 51731 1 257 . 1 . 1 60 60 ARG N N 15 119.0380 0.1 . 1 . . . . . 60 ARG N . 51731 1 258 . 1 . 1 61 61 CYS H H 1 8.7890 0.01 . 1 . . . . . 61 CYS H . 51731 1 259 . 1 . 1 61 61 CYS HA H 1 4.9420 0.01 . 1 . . . . . 61 CYS HA . 51731 1 260 . 1 . 1 61 61 CYS HB2 H 1 3.8380 0.01 . 2 . . . . . 61 CYS HB2 . 51731 1 261 . 1 . 1 61 61 CYS N N 15 117.4320 0.1 . 1 . . . . . 61 CYS N . 51731 1 262 . 1 . 1 62 62 CYS H H 1 9.5210 0.01 . 1 . . . . . 62 CYS H . 51731 1 263 . 1 . 1 62 62 CYS HA H 1 5.6840 0.01 . 1 . . . . . 62 CYS HA . 51731 1 264 . 1 . 1 62 62 CYS HB2 H 1 2.8480 0.01 . 2 . . . . . 62 CYS HB2 . 51731 1 265 . 1 . 1 62 62 CYS N N 15 121.8340 0.1 . 1 . . . . . 62 CYS N . 51731 1 266 . 1 . 1 63 63 THR H H 1 8.8600 0.01 . 1 . . . . . 63 THR H . 51731 1 267 . 1 . 1 63 63 THR HA H 1 4.7770 0.01 . 1 . . . . . 63 THR HA . 51731 1 268 . 1 . 1 63 63 THR HB H 1 3.8660 0.01 . 1 . . . . . 63 THR HB . 51731 1 269 . 1 . 1 63 63 THR HG21 H 1 1.2330 0.01 . 1 . . . . . 63 THR HG21 . 51731 1 270 . 1 . 1 63 63 THR HG22 H 1 1.2330 0.01 . 1 . . . . . 63 THR HG21 . 51731 1 271 . 1 . 1 63 63 THR HG23 H 1 1.2330 0.01 . 1 . . . . . 63 THR HG21 . 51731 1 272 . 1 . 1 63 63 THR N N 15 120.9210 0.1 . 1 . . . . . 63 THR N . 51731 1 273 . 1 . 1 64 64 LEU H H 1 8.8400 0.01 . 1 . . . . . 64 LEU H . 51731 1 274 . 1 . 1 64 64 LEU HA H 1 5.0050 0.01 . 1 . . . . . 64 LEU HA . 51731 1 275 . 1 . 1 64 64 LEU HB2 H 1 1.7390 0.01 . 2 . . . . . 64 LEU HB2 . 51731 1 276 . 1 . 1 64 64 LEU HG H 1 1.1680 0.01 . 1 . . . . . 64 LEU HG . 51731 1 277 . 1 . 1 64 64 LEU HD11 H 1 0.3990 0.01 . 2 . . . . . 64 LEU HD11 . 51731 1 278 . 1 . 1 64 64 LEU HD12 H 1 0.3990 0.01 . 2 . . . . . 64 LEU HD11 . 51731 1 279 . 1 . 1 64 64 LEU HD13 H 1 0.3990 0.01 . 2 . . . . . 64 LEU HD11 . 51731 1 280 . 1 . 1 64 64 LEU HD21 H 1 0.7900 0.01 . 2 . . . . . 64 LEU HD21 . 51731 1 281 . 1 . 1 64 64 LEU HD22 H 1 0.7900 0.01 . 2 . . . . . 64 LEU HD21 . 51731 1 282 . 1 . 1 64 64 LEU HD23 H 1 0.7900 0.01 . 2 . . . . . 64 LEU HD21 . 51731 1 283 . 1 . 1 64 64 LEU N N 15 129.1530 0.1 . 1 . . . . . 64 LEU N . 51731 1 284 . 1 . 1 65 65 SER H H 1 9.3900 0.01 . 1 . . . . . 65 SER H . 51731 1 285 . 1 . 1 65 65 SER HA H 1 4.5750 0.01 . 1 . . . . . 65 SER HA . 51731 1 286 . 1 . 1 65 65 SER HB2 H 1 3.8900 0.01 . 2 . . . . . 65 SER HB2 . 51731 1 287 . 1 . 1 65 65 SER N N 15 118.3080 0.1 . 1 . . . . . 65 SER N . 51731 1 288 . 1 . 1 66 66 LEU H H 1 8.5830 0.01 . 1 . . . . . 66 LEU H . 51731 1 289 . 1 . 1 66 66 LEU HA H 1 4.1240 0.01 . 1 . . . . . 66 LEU HA . 51731 1 290 . 1 . 1 66 66 LEU HB2 H 1 1.7750 0.01 . 2 . . . . . 66 LEU HB2 . 51731 1 291 . 1 . 1 66 66 LEU HG H 1 1.6050 0.01 . 1 . . . . . 66 LEU HG . 51731 1 292 . 1 . 1 66 66 LEU HD11 H 1 0.9140 0.01 . 2 . . . . . 66 LEU HD11 . 51731 1 293 . 1 . 1 66 66 LEU HD12 H 1 0.9140 0.01 . 2 . . . . . 66 LEU HD11 . 51731 1 294 . 1 . 1 66 66 LEU HD13 H 1 0.9140 0.01 . 2 . . . . . 66 LEU HD11 . 51731 1 295 . 1 . 1 66 66 LEU HD21 H 1 0.7640 0.01 . 2 . . . . . 66 LEU HD21 . 51731 1 296 . 1 . 1 66 66 LEU HD22 H 1 0.7640 0.01 . 2 . . . . . 66 LEU HD21 . 51731 1 297 . 1 . 1 66 66 LEU HD23 H 1 0.7640 0.01 . 2 . . . . . 66 LEU HD21 . 51731 1 298 . 1 . 1 66 66 LEU N N 15 122.7140 0.1 . 1 . . . . . 66 LEU N . 51731 1 299 . 1 . 1 67 67 LEU H H 1 7.4020 0.01 . 1 . . . . . 67 LEU H . 51731 1 300 . 1 . 1 67 67 LEU HA H 1 4.3760 0.01 . 1 . . . . . 67 LEU HA . 51731 1 301 . 1 . 1 67 67 LEU HB2 H 1 1.7140 0.01 . 2 . . . . . 67 LEU HB2 . 51731 1 302 . 1 . 1 67 67 LEU HG H 1 1.4700 0.01 . 1 . . . . . 67 LEU HG . 51731 1 303 . 1 . 1 67 67 LEU HD11 H 1 1.1460 0.01 . 2 . . . . . 67 LEU HD11 . 51731 1 304 . 1 . 1 67 67 LEU HD12 H 1 1.1460 0.01 . 2 . . . . . 67 LEU HD11 . 51731 1 305 . 1 . 1 67 67 LEU HD13 H 1 1.1460 0.01 . 2 . . . . . 67 LEU HD11 . 51731 1 306 . 1 . 1 67 67 LEU HD21 H 1 0.8680 0.01 . 2 . . . . . 67 LEU HD21 . 51731 1 307 . 1 . 1 67 67 LEU HD22 H 1 0.8680 0.01 . 2 . . . . . 67 LEU HD21 . 51731 1 308 . 1 . 1 67 67 LEU HD23 H 1 0.8680 0.01 . 2 . . . . . 67 LEU HD21 . 51731 1 309 . 1 . 1 67 67 LEU N N 15 116.3590 0.1 . 1 . . . . . 67 LEU N . 51731 1 310 . 1 . 1 68 68 GLY H H 1 7.9800 0.01 . 1 . . . . . 68 GLY H . 51731 1 311 . 1 . 1 68 68 GLY HA2 H 1 4.1510 0.01 . 2 . . . . . 68 GLY HA2 . 51731 1 312 . 1 . 1 68 68 GLY N N 15 108.4690 0.1 . 1 . . . . . 68 GLY N . 51731 1 313 . 1 . 1 69 69 LEU H H 1 7.0930 0.01 . 1 . . . . . 69 LEU H . 51731 1 314 . 1 . 1 69 69 LEU HA H 1 4.6090 0.01 . 1 . . . . . 69 LEU HA . 51731 1 315 . 1 . 1 69 69 LEU HB2 H 1 1.5070 0.01 . 2 . . . . . 69 LEU HB2 . 51731 1 316 . 1 . 1 69 69 LEU HG H 1 1.7160 0.01 . 1 . . . . . 69 LEU HG . 51731 1 317 . 1 . 1 69 69 LEU HD11 H 1 0.8780 0.01 . 2 . . . . . 69 LEU HD11 . 51731 1 318 . 1 . 1 69 69 LEU HD12 H 1 0.8780 0.01 . 2 . . . . . 69 LEU HD11 . 51731 1 319 . 1 . 1 69 69 LEU HD13 H 1 0.8780 0.01 . 2 . . . . . 69 LEU HD11 . 51731 1 320 . 1 . 1 69 69 LEU HD21 H 1 0.4160 0.01 . 2 . . . . . 69 LEU HD21 . 51731 1 321 . 1 . 1 69 69 LEU HD22 H 1 0.4160 0.01 . 2 . . . . . 69 LEU HD21 . 51731 1 322 . 1 . 1 69 69 LEU HD23 H 1 0.4160 0.01 . 2 . . . . . 69 LEU HD21 . 51731 1 323 . 1 . 1 69 69 LEU N N 15 120.9460 0.1 . 1 . . . . . 69 LEU N . 51731 1 324 . 1 . 1 70 70 ALA H H 1 8.9650 0.01 . 1 . . . . . 70 ALA H . 51731 1 325 . 1 . 1 70 70 ALA HA H 1 4.1800 0.01 . 1 . . . . . 70 ALA HA . 51731 1 326 . 1 . 1 70 70 ALA HB1 H 1 1.2090 0.01 . 1 . . . . . 70 ALA HB1 . 51731 1 327 . 1 . 1 70 70 ALA HB2 H 1 1.2090 0.01 . 1 . . . . . 70 ALA HB1 . 51731 1 328 . 1 . 1 70 70 ALA HB3 H 1 1.2090 0.01 . 1 . . . . . 70 ALA HB1 . 51731 1 329 . 1 . 1 70 70 ALA N N 15 127.5500 0.1 . 1 . . . . . 70 ALA N . 51731 1 330 . 1 . 1 71 71 LEU H H 1 8.7900 0.01 . 1 . . . . . 71 LEU H . 51731 1 331 . 1 . 1 71 71 LEU HA H 1 4.4450 0.01 . 1 . . . . . 71 LEU HA . 51731 1 332 . 1 . 1 71 71 LEU HB2 H 1 1.5940 0.01 . 2 . . . . . 71 LEU HB2 . 51731 1 333 . 1 . 1 71 71 LEU HG H 1 1.7610 0.01 . 1 . . . . . 71 LEU HG . 51731 1 334 . 1 . 1 71 71 LEU HD11 H 1 0.8920 0.01 . 2 . . . . . 71 LEU HD11 . 51731 1 335 . 1 . 1 71 71 LEU HD12 H 1 0.8920 0.01 . 2 . . . . . 71 LEU HD11 . 51731 1 336 . 1 . 1 71 71 LEU HD13 H 1 0.8920 0.01 . 2 . . . . . 71 LEU HD11 . 51731 1 337 . 1 . 1 71 71 LEU HD21 H 1 0.4140 0.01 . 2 . . . . . 71 LEU HD21 . 51731 1 338 . 1 . 1 71 71 LEU HD22 H 1 0.4140 0.01 . 2 . . . . . 71 LEU HD21 . 51731 1 339 . 1 . 1 71 71 LEU HD23 H 1 0.4140 0.01 . 2 . . . . . 71 LEU HD21 . 51731 1 340 . 1 . 1 71 71 LEU N N 15 122.7590 0.1 . 1 . . . . . 71 LEU N . 51731 1 341 . 1 . 1 72 72 VAL H H 1 7.0000 0.01 . 1 . . . . . 72 VAL H . 51731 1 342 . 1 . 1 72 72 VAL HA H 1 4.3070 0.01 . 1 . . . . . 72 VAL HA . 51731 1 343 . 1 . 1 72 72 VAL HB H 1 2.1250 0.01 . 1 . . . . . 72 VAL HB . 51731 1 344 . 1 . 1 72 72 VAL HG11 H 1 0.6590 0.01 . 2 . . . . . 72 VAL HG11 . 51731 1 345 . 1 . 1 72 72 VAL HG12 H 1 0.6590 0.01 . 2 . . . . . 72 VAL HG11 . 51731 1 346 . 1 . 1 72 72 VAL HG13 H 1 0.6590 0.01 . 2 . . . . . 72 VAL HG11 . 51731 1 347 . 1 . 1 72 72 VAL HG21 H 1 0.9200 0.01 . 2 . . . . . 72 VAL HG21 . 51731 1 348 . 1 . 1 72 72 VAL HG22 H 1 0.9200 0.01 . 2 . . . . . 72 VAL HG21 . 51731 1 349 . 1 . 1 72 72 VAL HG23 H 1 0.9200 0.01 . 2 . . . . . 72 VAL HG21 . 51731 1 350 . 1 . 1 72 72 VAL N N 15 115.4090 0.1 . 1 . . . . . 72 VAL N . 51731 1 351 . 1 . 1 73 73 CYS H H 1 8.6890 0.01 . 1 . . . . . 73 CYS H . 51731 1 352 . 1 . 1 73 73 CYS HA H 1 5.6620 0.01 . 1 . . . . . 73 CYS HA . 51731 1 353 . 1 . 1 73 73 CYS HB2 H 1 2.9350 0.01 . 2 . . . . . 73 CYS HB2 . 51731 1 354 . 1 . 1 73 73 CYS N N 15 124.6670 0.1 . 1 . . . . . 73 CYS N . 51731 1 355 . 1 . 1 74 74 THR H H 1 9.3080 0.01 . 1 . . . . . 74 THR H . 51731 1 356 . 1 . 1 74 74 THR HA H 1 4.5320 0.01 . 1 . . . . . 74 THR HA . 51731 1 357 . 1 . 1 74 74 THR HB H 1 3.9580 0.01 . 1 . . . . . 74 THR HB . 51731 1 358 . 1 . 1 74 74 THR HG21 H 1 1.1630 0.01 . 1 . . . . . 74 THR HG21 . 51731 1 359 . 1 . 1 74 74 THR HG22 H 1 1.1630 0.01 . 1 . . . . . 74 THR HG21 . 51731 1 360 . 1 . 1 74 74 THR HG23 H 1 1.1630 0.01 . 1 . . . . . 74 THR HG21 . 51731 1 361 . 1 . 1 74 74 THR N N 15 116.6400 0.1 . 1 . . . . . 74 THR N . 51731 1 362 . 1 . 1 75 75 ASP H H 1 7.9650 0.01 . 1 . . . . . 75 ASP H . 51731 1 363 . 1 . 1 75 75 ASP HA H 1 4.9230 0.01 . 1 . . . . . 75 ASP HA . 51731 1 364 . 1 . 1 75 75 ASP HB2 H 1 2.7330 0.01 . 2 . . . . . 75 ASP HB2 . 51731 1 365 . 1 . 1 75 75 ASP N N 15 125.0120 0.1 . 1 . . . . . 75 ASP N . 51731 1 366 . 1 . 1 76 76 PRO HB2 H 1 2.5030 0.01 . 2 . . . . . 76 PRO HB2 . 51731 1 367 . 1 . 1 77 77 VAL H H 1 8.4510 0.01 . 1 . . . . . 77 VAL H . 51731 1 368 . 1 . 1 77 77 VAL HA H 1 3.8980 0.01 . 1 . . . . . 77 VAL HA . 51731 1 369 . 1 . 1 77 77 VAL HB H 1 2.0140 0.01 . 1 . . . . . 77 VAL HB . 51731 1 370 . 1 . 1 77 77 VAL HG21 H 1 1.0240 0.01 . 2 . . . . . 77 VAL HG21 . 51731 1 371 . 1 . 1 77 77 VAL HG22 H 1 1.0240 0.01 . 2 . . . . . 77 VAL HG21 . 51731 1 372 . 1 . 1 77 77 VAL HG23 H 1 1.0240 0.01 . 2 . . . . . 77 VAL HG21 . 51731 1 373 . 1 . 1 77 77 VAL N N 15 120.7950 0.1 . 1 . . . . . 77 VAL N . 51731 1 374 . 1 . 1 78 78 GLY H H 1 8.6500 0.01 . 1 . . . . . 78 GLY H . 51731 1 375 . 1 . 1 78 78 GLY HA2 H 1 4.0980 0.01 . 2 . . . . . 78 GLY HA2 . 51731 1 376 . 1 . 1 78 78 GLY N N 15 115.0110 0.1 . 1 . . . . . 78 GLY N . 51731 1 377 . 1 . 1 79 79 ILE H H 1 7.2720 0.01 . 1 . . . . . 79 ILE H . 51731 1 378 . 1 . 1 79 79 ILE HA H 1 4.0980 0.01 . 1 . . . . . 79 ILE HA . 51731 1 379 . 1 . 1 79 79 ILE HB H 1 1.7260 0.01 . 1 . . . . . 79 ILE HB . 51731 1 380 . 1 . 1 79 79 ILE HG12 H 1 1.4040 0.01 . 1 . . . . . 79 ILE HG12 . 51731 1 381 . 1 . 1 79 79 ILE HG21 H 1 1.0320 0.01 . 1 . . . . . 79 ILE HG21 . 51731 1 382 . 1 . 1 79 79 ILE HG22 H 1 1.0320 0.01 . 1 . . . . . 79 ILE HG21 . 51731 1 383 . 1 . 1 79 79 ILE HG23 H 1 1.0320 0.01 . 1 . . . . . 79 ILE HG21 . 51731 1 384 . 1 . 1 79 79 ILE HD11 H 1 0.8170 0.01 . 1 . . . . . 79 ILE HD11 . 51731 1 385 . 1 . 1 79 79 ILE HD12 H 1 0.8170 0.01 . 1 . . . . . 79 ILE HD11 . 51731 1 386 . 1 . 1 79 79 ILE HD13 H 1 0.8170 0.01 . 1 . . . . . 79 ILE HD11 . 51731 1 387 . 1 . 1 79 79 ILE N N 15 123.5950 0.1 . 1 . . . . . 79 ILE N . 51731 1 stop_ save_