################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15817 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15817 1 2 '2D 1H-13C HSQC' . . . 15817 1 3 '3D HNCACB' . . . 15817 1 4 '3D CBCA(CO)NH' . . . 15817 1 5 '3D HNCO' . . . 15817 1 6 '3D HCCH-TOCSY' . . . 15817 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 2 2 ASN HA H 1 4.760 0.02 . 1 . . . . 1 ASN HA . 15817 1 2 . 1 1 2 2 ASN HB2 H 1 2.760 0.02 . 2 . . . . 1 ASN HB2 . 15817 1 3 . 1 1 2 2 ASN HB3 H 1 2.690 0.02 . 2 . . . . 1 ASN HB3 . 15817 1 4 . 1 1 2 2 ASN C C 13 174.100 0.3 . 1 . . . . 1 ASN C . 15817 1 5 . 1 1 2 2 ASN CA C 13 53.000 0.3 . 1 . . . . 1 ASN CA . 15817 1 6 . 1 1 2 2 ASN CB C 13 39.100 0.3 . 1 . . . . 1 ASN CB . 15817 1 7 . 1 1 3 3 GLN H H 1 8.340 0.02 . 1 . . . . 2 GLN H . 15817 1 8 . 1 1 3 3 GLN HA H 1 4.330 0.02 . 1 . . . . 2 GLN HA . 15817 1 9 . 1 1 3 3 GLN C C 13 175.200 0.3 . 1 . . . . 2 GLN C . 15817 1 10 . 1 1 3 3 GLN CA C 13 55.900 0.3 . 1 . . . . 2 GLN CA . 15817 1 11 . 1 1 3 3 GLN CB C 13 30.300 0.3 . 1 . . . . 2 GLN CB . 15817 1 12 . 1 1 3 3 GLN CG C 13 34.000 0.3 . 1 . . . . 2 GLN CG . 15817 1 13 . 1 1 3 3 GLN N N 15 120.500 0.3 . 1 . . . . 2 GLN N . 15817 1 14 . 1 1 4 4 ALA H H 1 8.930 0.02 . 1 . . . . 3 ALA H . 15817 1 15 . 1 1 4 4 ALA HA H 1 4.510 0.02 . 1 . . . . 3 ALA HA . 15817 1 16 . 1 1 4 4 ALA HB1 H 1 1.320 0.02 . 1 . . . . 3 ALA HB1 . 15817 1 17 . 1 1 4 4 ALA HB2 H 1 1.320 0.02 . 1 . . . . 3 ALA HB2 . 15817 1 18 . 1 1 4 4 ALA HB3 H 1 1.320 0.02 . 1 . . . . 3 ALA HB3 . 15817 1 19 . 1 1 4 4 ALA C C 13 178.200 0.3 . 1 . . . . 3 ALA C . 15817 1 20 . 1 1 4 4 ALA CA C 13 52.000 0.3 . 1 . . . . 3 ALA CA . 15817 1 21 . 1 1 4 4 ALA CB C 13 20.000 0.3 . 1 . . . . 3 ALA CB . 15817 1 22 . 1 1 4 4 ALA N N 15 128.700 0.3 . 1 . . . . 3 ALA N . 15817 1 23 . 1 1 5 5 SER H H 1 9.130 0.02 . 1 . . . . 4 SER H . 15817 1 24 . 1 1 5 5 SER HA H 1 5.541 0.02 . 1 . . . . 4 SER HA . 15817 1 25 . 1 1 5 5 SER C C 13 171.490 0.3 . 1 . . . . 4 SER C . 15817 1 26 . 1 1 5 5 SER CA C 13 57.747 0.3 . 1 . . . . 4 SER CA . 15817 1 27 . 1 1 5 5 SER CB C 13 66.800 0.3 . 1 . . . . 4 SER CB . 15817 1 28 . 1 1 5 5 SER N N 15 119.000 0.3 . 1 . . . . 4 SER N . 15817 1 29 . 1 1 6 6 VAL H H 1 8.130 0.02 . 1 . . . . 5 VAL H . 15817 1 30 . 1 1 6 6 VAL HA H 1 4.210 0.02 . 1 . . . . 5 VAL HA . 15817 1 31 . 1 1 6 6 VAL HB H 1 1.820 0.02 . 1 . . . . 5 VAL HB . 15817 1 32 . 1 1 6 6 VAL HG11 H 1 0.810 0.02 . 2 . . . . 5 VAL HG11 . 15817 1 33 . 1 1 6 6 VAL HG12 H 1 0.810 0.02 . 2 . . . . 5 VAL HG12 . 15817 1 34 . 1 1 6 6 VAL HG13 H 1 0.810 0.02 . 2 . . . . 5 VAL HG13 . 15817 1 35 . 1 1 6 6 VAL HG21 H 1 0.770 0.02 . 2 . . . . 5 VAL HG21 . 15817 1 36 . 1 1 6 6 VAL HG22 H 1 0.770 0.02 . 2 . . . . 5 VAL HG22 . 15817 1 37 . 1 1 6 6 VAL HG23 H 1 0.770 0.02 . 2 . . . . 5 VAL HG23 . 15817 1 38 . 1 1 6 6 VAL C C 13 174.400 0.3 . 1 . . . . 5 VAL C . 15817 1 39 . 1 1 6 6 VAL CA C 13 63.200 0.3 . 1 . . . . 5 VAL CA . 15817 1 40 . 1 1 6 6 VAL CB C 13 32.000 0.3 . 1 . . . . 5 VAL CB . 15817 1 41 . 1 1 6 6 VAL CG1 C 13 23.000 0.3 . 2 . . . . 5 VAL CG1 . 15817 1 42 . 1 1 6 6 VAL CG2 C 13 23.200 0.3 . 2 . . . . 5 VAL CG2 . 15817 1 43 . 1 1 6 6 VAL N N 15 121.200 0.3 . 1 . . . . 5 VAL N . 15817 1 44 . 1 1 7 7 VAL H H 1 9.010 0.02 . 1 . . . . 6 VAL H . 15817 1 45 . 1 1 7 7 VAL HA H 1 4.540 0.02 . 1 . . . . 6 VAL HA . 15817 1 46 . 1 1 7 7 VAL HB H 1 1.483 0.02 . 1 . . . . 6 VAL HB . 15817 1 47 . 1 1 7 7 VAL C C 13 175.300 0.3 . 1 . . . . 6 VAL C . 15817 1 48 . 1 1 7 7 VAL CA C 13 59.900 0.3 . 1 . . . . 6 VAL CA . 15817 1 49 . 1 1 7 7 VAL CB C 13 35.831 0.3 . 1 . . . . 6 VAL CB . 15817 1 50 . 1 1 7 7 VAL CG1 C 13 22.500 0.3 . 2 . . . . 6 VAL CG1 . 15817 1 51 . 1 1 7 7 VAL CG2 C 13 20.500 0.3 . 2 . . . . 6 VAL CG2 . 15817 1 52 . 1 1 7 7 VAL N N 15 127.300 0.3 . 1 . . . . 6 VAL N . 15817 1 53 . 1 1 8 8 ALA H H 1 8.340 0.02 . 1 . . . . 7 ALA H . 15817 1 54 . 1 1 8 8 ALA HA H 1 4.460 0.02 . 1 . . . . 7 ALA HA . 15817 1 55 . 1 1 8 8 ALA HB1 H 1 1.650 0.02 . 1 . . . . 7 ALA HB1 . 15817 1 56 . 1 1 8 8 ALA HB2 H 1 1.650 0.02 . 1 . . . . 7 ALA HB2 . 15817 1 57 . 1 1 8 8 ALA HB3 H 1 1.650 0.02 . 1 . . . . 7 ALA HB3 . 15817 1 58 . 1 1 8 8 ALA C C 13 178.000 0.3 . 1 . . . . 7 ALA C . 15817 1 59 . 1 1 8 8 ALA CA C 13 53.000 0.3 . 1 . . . . 7 ALA CA . 15817 1 60 . 1 1 8 8 ALA CB C 13 19.400 0.3 . 1 . . . . 7 ALA CB . 15817 1 61 . 1 1 8 8 ALA N N 15 127.300 0.3 . 1 . . . . 7 ALA N . 15817 1 62 . 1 1 9 9 ASN H H 1 9.030 0.02 . 1 . . . . 8 ASN H . 15817 1 63 . 1 1 9 9 ASN HA H 1 4.710 0.02 . 1 . . . . 8 ASN HA . 15817 1 64 . 1 1 9 9 ASN HB2 H 1 2.020 0.02 . 2 . . . . 8 ASN HB2 . 15817 1 65 . 1 1 9 9 ASN HB3 H 1 2.700 0.02 . 2 . . . . 8 ASN HB3 . 15817 1 66 . 1 1 9 9 ASN C C 13 173.100 0.3 . 1 . . . . 8 ASN C . 15817 1 67 . 1 1 9 9 ASN CA C 13 52.200 0.3 . 1 . . . . 8 ASN CA . 15817 1 68 . 1 1 9 9 ASN CB C 13 40.800 0.3 . 1 . . . . 8 ASN CB . 15817 1 69 . 1 1 9 9 ASN N N 15 124.400 0.3 . 1 . . . . 8 ASN N . 15817 1 70 . 1 1 10 10 GLN H H 1 7.790 0.02 . 1 . . . . 9 GLN H . 15817 1 71 . 1 1 10 10 GLN HA H 1 4.400 0.02 . 1 . . . . 9 GLN HA . 15817 1 72 . 1 1 10 10 GLN C C 13 172.800 0.3 . 1 . . . . 9 GLN C . 15817 1 73 . 1 1 10 10 GLN CA C 13 53.300 0.3 . 1 . . . . 9 GLN CA . 15817 1 74 . 1 1 10 10 GLN CB C 13 32.900 0.3 . 1 . . . . 9 GLN CB . 15817 1 75 . 1 1 10 10 GLN CG C 13 32.900 0.3 . 1 . . . . 9 GLN CG . 15817 1 76 . 1 1 10 10 GLN N N 15 111.800 0.3 . 1 . . . . 9 GLN N . 15817 1 77 . 1 1 11 11 LEU H H 1 8.330 0.02 . 1 . . . . 10 LEU H . 15817 1 78 . 1 1 11 11 LEU HA H 1 4.700 0.02 . 1 . . . . 10 LEU HA . 15817 1 79 . 1 1 11 11 LEU HG H 1 1.290 0.02 . 1 . . . . 10 LEU HG . 15817 1 80 . 1 1 11 11 LEU C C 13 177.200 0.3 . 1 . . . . 10 LEU C . 15817 1 81 . 1 1 11 11 LEU CA C 13 56.200 0.3 . 1 . . . . 10 LEU CA . 15817 1 82 . 1 1 11 11 LEU CB C 13 41.000 0.3 . 1 . . . . 10 LEU CB . 15817 1 83 . 1 1 11 11 LEU CD1 C 13 23.600 0.3 . 2 . . . . 10 LEU CD1 . 15817 1 84 . 1 1 11 11 LEU CD2 C 13 25.200 0.3 . 2 . . . . 10 LEU CD2 . 15817 1 85 . 1 1 11 11 LEU CG C 13 28.107 0.3 . 1 . . . . 10 LEU CG . 15817 1 86 . 1 1 11 11 LEU N N 15 120.100 0.3 . 1 . . . . 10 LEU N . 15817 1 87 . 1 1 12 12 ILE H H 1 9.240 0.02 . 1 . . . . 11 ILE H . 15817 1 88 . 1 1 12 12 ILE HA H 1 4.580 0.02 . 1 . . . . 11 ILE HA . 15817 1 89 . 1 1 12 12 ILE HB H 1 1.990 0.02 . 1 . . . . 11 ILE HB . 15817 1 90 . 1 1 12 12 ILE HD11 H 1 0.910 0.02 . 1 . . . . 11 ILE HD11 . 15817 1 91 . 1 1 12 12 ILE HD12 H 1 0.910 0.02 . 1 . . . . 11 ILE HD12 . 15817 1 92 . 1 1 12 12 ILE HD13 H 1 0.910 0.02 . 1 . . . . 11 ILE HD13 . 15817 1 93 . 1 1 12 12 ILE HG21 H 1 1.050 0.02 . 1 . . . . 11 ILE HG21 . 15817 1 94 . 1 1 12 12 ILE HG22 H 1 1.050 0.02 . 1 . . . . 11 ILE HG22 . 15817 1 95 . 1 1 12 12 ILE HG23 H 1 1.050 0.02 . 1 . . . . 11 ILE HG23 . 15817 1 96 . 1 1 12 12 ILE CA C 13 59.100 0.3 . 1 . . . . 11 ILE CA . 15817 1 97 . 1 1 12 12 ILE CB C 13 39.800 0.3 . 1 . . . . 11 ILE CB . 15817 1 98 . 1 1 12 12 ILE CD1 C 13 13.900 0.3 . 1 . . . . 11 ILE CD1 . 15817 1 99 . 1 1 12 12 ILE CG1 C 13 26.400 0.3 . 1 . . . . 11 ILE CG1 . 15817 1 100 . 1 1 12 12 ILE CG2 C 13 19.200 0.3 . 1 . . . . 11 ILE CG2 . 15817 1 101 . 1 1 12 12 ILE N N 15 133.000 0.3 . 1 . . . . 11 ILE N . 15817 1 102 . 1 1 13 13 PRO HA H 1 4.390 0.02 . 1 . . . . 12 PRO HA . 15817 1 103 . 1 1 13 13 PRO C C 13 176.700 0.3 . 1 . . . . 12 PRO C . 15817 1 104 . 1 1 13 13 PRO CA C 13 61.900 0.3 . 1 . . . . 12 PRO CA . 15817 1 105 . 1 1 13 13 PRO CB C 13 32.500 0.3 . 1 . . . . 12 PRO CB . 15817 1 106 . 1 1 13 13 PRO CD C 13 51.000 0.3 . 1 . . . . 12 PRO CD . 15817 1 107 . 1 1 13 13 PRO CG C 13 27.400 0.3 . 1 . . . . 12 PRO CG . 15817 1 108 . 1 1 14 14 ILE H H 1 8.320 0.02 . 1 . . . . 13 ILE H . 15817 1 109 . 1 1 14 14 ILE HA H 1 3.341 0.02 . 1 . . . . 13 ILE HA . 15817 1 110 . 1 1 14 14 ILE HB H 1 1.623 0.02 . 1 . . . . 13 ILE HB . 15817 1 111 . 1 1 14 14 ILE HD11 H 1 0.934 0.02 . 1 . . . . 13 ILE HD11 . 15817 1 112 . 1 1 14 14 ILE HD12 H 1 0.934 0.02 . 1 . . . . 13 ILE HD12 . 15817 1 113 . 1 1 14 14 ILE HD13 H 1 0.934 0.02 . 1 . . . . 13 ILE HD13 . 15817 1 114 . 1 1 14 14 ILE HG12 H 1 1.130 0.02 . 2 . . . . 13 ILE HG12 . 15817 1 115 . 1 1 14 14 ILE HG13 H 1 0.920 0.02 . 2 . . . . 13 ILE HG13 . 15817 1 116 . 1 1 14 14 ILE HG21 H 1 0.856 0.02 . 1 . . . . 13 ILE HG21 . 15817 1 117 . 1 1 14 14 ILE HG22 H 1 0.856 0.02 . 1 . . . . 13 ILE HG22 . 15817 1 118 . 1 1 14 14 ILE HG23 H 1 0.856 0.02 . 1 . . . . 13 ILE HG23 . 15817 1 119 . 1 1 14 14 ILE C C 13 173.600 0.3 . 1 . . . . 13 ILE C . 15817 1 120 . 1 1 14 14 ILE CA C 13 63.817 0.3 . 1 . . . . 13 ILE CA . 15817 1 121 . 1 1 14 14 ILE CB C 13 38.857 0.3 . 1 . . . . 13 ILE CB . 15817 1 122 . 1 1 14 14 ILE CD1 C 13 14.685 0.3 . 1 . . . . 13 ILE CD1 . 15817 1 123 . 1 1 14 14 ILE CG1 C 13 29.200 0.3 . 1 . . . . 13 ILE CG1 . 15817 1 124 . 1 1 14 14 ILE CG2 C 13 15.300 0.3 . 1 . . . . 13 ILE CG2 . 15817 1 125 . 1 1 14 14 ILE N N 15 121.200 0.3 . 1 . . . . 13 ILE N . 15817 1 126 . 1 1 15 15 ASN H H 1 7.350 0.02 . 1 . . . . 14 ASN H . 15817 1 127 . 1 1 15 15 ASN HA H 1 4.570 0.02 . 1 . . . . 14 ASN HA . 15817 1 128 . 1 1 15 15 ASN HB2 H 1 3.000 0.02 . 2 . . . . 14 ASN HB2 . 15817 1 129 . 1 1 15 15 ASN HB3 H 1 3.090 0.02 . 2 . . . . 14 ASN HB3 . 15817 1 130 . 1 1 15 15 ASN C C 13 174.100 0.3 . 1 . . . . 14 ASN C . 15817 1 131 . 1 1 15 15 ASN CA C 13 55.306 0.3 . 1 . . . . 14 ASN CA . 15817 1 132 . 1 1 15 15 ASN CB C 13 37.100 0.3 . 1 . . . . 14 ASN CB . 15817 1 133 . 1 1 15 15 ASN N N 15 116.900 0.3 . 1 . . . . 14 ASN N . 15817 1 134 . 1 1 16 16 THR H H 1 7.410 0.02 . 1 . . . . 15 THR H . 15817 1 135 . 1 1 16 16 THR HA H 1 4.010 0.02 . 1 . . . . 15 THR HA . 15817 1 136 . 1 1 16 16 THR HB H 1 3.920 0.02 . 1 . . . . 15 THR HB . 15817 1 137 . 1 1 16 16 THR HG21 H 1 1.190 0.02 . 1 . . . . 15 THR HG21 . 15817 1 138 . 1 1 16 16 THR HG22 H 1 1.190 0.02 . 1 . . . . 15 THR HG22 . 15817 1 139 . 1 1 16 16 THR HG23 H 1 1.190 0.02 . 1 . . . . 15 THR HG23 . 15817 1 140 . 1 1 16 16 THR C C 13 173.000 0.3 . 1 . . . . 15 THR C . 15817 1 141 . 1 1 16 16 THR CA C 13 64.400 0.3 . 1 . . . . 15 THR CA . 15817 1 142 . 1 1 16 16 THR CB C 13 69.600 0.3 . 1 . . . . 15 THR CB . 15817 1 143 . 1 1 16 16 THR CG2 C 13 21.957 0.3 . 1 . . . . 15 THR CG2 . 15817 1 144 . 1 1 16 16 THR N N 15 116.800 0.3 . 1 . . . . 15 THR N . 15817 1 145 . 1 1 17 17 ALA H H 1 8.410 0.02 . 1 . . . . 16 ALA H . 15817 1 146 . 1 1 17 17 ALA HA H 1 4.280 0.02 . 1 . . . . 16 ALA HA . 15817 1 147 . 1 1 17 17 ALA HB1 H 1 1.240 0.02 . 1 . . . . 16 ALA HB1 . 15817 1 148 . 1 1 17 17 ALA HB2 H 1 1.240 0.02 . 1 . . . . 16 ALA HB2 . 15817 1 149 . 1 1 17 17 ALA HB3 H 1 1.240 0.02 . 1 . . . . 16 ALA HB3 . 15817 1 150 . 1 1 17 17 ALA C C 13 176.700 0.3 . 1 . . . . 16 ALA C . 15817 1 151 . 1 1 17 17 ALA CA C 13 50.800 0.3 . 1 . . . . 16 ALA CA . 15817 1 152 . 1 1 17 17 ALA CB C 13 18.800 0.3 . 1 . . . . 16 ALA CB . 15817 1 153 . 1 1 17 17 ALA N N 15 128.000 0.3 . 1 . . . . 16 ALA N . 15817 1 154 . 1 1 18 18 LEU H H 1 9.070 0.02 . 1 . . . . 17 LEU H . 15817 1 155 . 1 1 18 18 LEU HA H 1 4.550 0.02 . 1 . . . . 17 LEU HA . 15817 1 156 . 1 1 18 18 LEU HB2 H 1 1.020 0.02 . 2 . . . . 17 LEU HB2 . 15817 1 157 . 1 1 18 18 LEU HB3 H 1 2.250 0.02 . 2 . . . . 17 LEU HB3 . 15817 1 158 . 1 1 18 18 LEU HG H 1 1.930 0.02 . 1 . . . . 17 LEU HG . 15817 1 159 . 1 1 18 18 LEU C C 13 178.900 0.3 . 1 . . . . 17 LEU C . 15817 1 160 . 1 1 18 18 LEU CA C 13 56.000 0.3 . 1 . . . . 17 LEU CA . 15817 1 161 . 1 1 18 18 LEU CB C 13 42.800 0.3 . 1 . . . . 17 LEU CB . 15817 1 162 . 1 1 18 18 LEU CD1 C 13 25.800 0.3 . 1 . . . . 17 LEU CD1 . 15817 1 163 . 1 1 18 18 LEU CD2 C 13 25.800 0.3 . 1 . . . . 17 LEU CD2 . 15817 1 164 . 1 1 18 18 LEU CG C 13 27.800 0.3 . 1 . . . . 17 LEU CG . 15817 1 165 . 1 1 18 18 LEU N N 15 124.800 0.3 . 1 . . . . 17 LEU N . 15817 1 166 . 1 1 19 19 THR H H 1 7.920 0.02 . 1 . . . . 18 THR H . 15817 1 167 . 1 1 19 19 THR HA H 1 4.700 0.02 . 1 . . . . 18 THR HA . 15817 1 168 . 1 1 19 19 THR HB H 1 4.540 0.02 . 1 . . . . 18 THR HB . 15817 1 169 . 1 1 19 19 THR HG21 H 1 1.263 0.02 . 1 . . . . 18 THR HG21 . 15817 1 170 . 1 1 19 19 THR HG22 H 1 1.263 0.02 . 1 . . . . 18 THR HG22 . 15817 1 171 . 1 1 19 19 THR HG23 H 1 1.263 0.02 . 1 . . . . 18 THR HG23 . 15817 1 172 . 1 1 19 19 THR C C 13 175.400 0.3 . 1 . . . . 18 THR C . 15817 1 173 . 1 1 19 19 THR CA C 13 59.166 0.3 . 1 . . . . 18 THR CA . 15817 1 174 . 1 1 19 19 THR CB C 13 71.300 0.3 . 1 . . . . 18 THR CB . 15817 1 175 . 1 1 19 19 THR CG2 C 13 21.756 0.3 . 1 . . . . 18 THR CG2 . 15817 1 176 . 1 1 19 19 THR N N 15 113.100 0.3 . 1 . . . . 18 THR N . 15817 1 177 . 1 1 20 20 LEU H H 1 8.830 0.02 . 1 . . . . 19 LEU H . 15817 1 178 . 1 1 20 20 LEU HA H 1 3.830 0.02 . 1 . . . . 19 LEU HA . 15817 1 179 . 1 1 20 20 LEU HB2 H 1 1.730 0.02 . 2 . . . . 19 LEU HB2 . 15817 1 180 . 1 1 20 20 LEU HB3 H 1 1.560 0.02 . 2 . . . . 19 LEU HB3 . 15817 1 181 . 1 1 20 20 LEU HD11 H 1 0.920 0.02 . 2 . . . . 19 LEU HD11 . 15817 1 182 . 1 1 20 20 LEU HD12 H 1 0.920 0.02 . 2 . . . . 19 LEU HD12 . 15817 1 183 . 1 1 20 20 LEU HD13 H 1 0.920 0.02 . 2 . . . . 19 LEU HD13 . 15817 1 184 . 1 1 20 20 LEU HD21 H 1 0.779 0.02 . 2 . . . . 19 LEU HD21 . 15817 1 185 . 1 1 20 20 LEU HD22 H 1 0.779 0.02 . 2 . . . . 19 LEU HD22 . 15817 1 186 . 1 1 20 20 LEU HD23 H 1 0.779 0.02 . 2 . . . . 19 LEU HD23 . 15817 1 187 . 1 1 20 20 LEU HG H 1 1.680 0.02 . 1 . . . . 19 LEU HG . 15817 1 188 . 1 1 20 20 LEU C C 13 179.700 0.3 . 1 . . . . 19 LEU C . 15817 1 189 . 1 1 20 20 LEU CA C 13 58.800 0.3 . 1 . . . . 19 LEU CA . 15817 1 190 . 1 1 20 20 LEU CB C 13 42.100 0.3 . 1 . . . . 19 LEU CB . 15817 1 191 . 1 1 20 20 LEU CD1 C 13 25.100 0.3 . 2 . . . . 19 LEU CD1 . 15817 1 192 . 1 1 20 20 LEU CD2 C 13 23.800 0.3 . 2 . . . . 19 LEU CD2 . 15817 1 193 . 1 1 20 20 LEU CG C 13 26.800 0.3 . 1 . . . . 19 LEU CG . 15817 1 194 . 1 1 20 20 LEU N N 15 120.200 0.3 . 1 . . . . 19 LEU N . 15817 1 195 . 1 1 21 21 VAL H H 1 7.440 0.02 . 1 . . . . 20 VAL H . 15817 1 196 . 1 1 21 21 VAL HA H 1 4.130 0.02 . 1 . . . . 20 VAL HA . 15817 1 197 . 1 1 21 21 VAL HB H 1 2.230 0.02 . 1 . . . . 20 VAL HB . 15817 1 198 . 1 1 21 21 VAL C C 13 176.900 0.3 . 1 . . . . 20 VAL C . 15817 1 199 . 1 1 21 21 VAL CA C 13 63.500 0.3 . 1 . . . . 20 VAL CA . 15817 1 200 . 1 1 21 21 VAL CB C 13 31.400 0.3 . 1 . . . . 20 VAL CB . 15817 1 201 . 1 1 21 21 VAL CG1 C 13 20.400 0.3 . 1 . . . . 20 VAL CG1 . 15817 1 202 . 1 1 21 21 VAL CG2 C 13 20.400 0.3 . 1 . . . . 20 VAL CG2 . 15817 1 203 . 1 1 21 21 VAL N N 15 110.500 0.3 . 1 . . . . 20 VAL N . 15817 1 204 . 1 1 22 22 MET H H 1 7.560 0.02 . 1 . . . . 21 MET H . 15817 1 205 . 1 1 22 22 MET HA H 1 3.990 0.02 . 1 . . . . 21 MET HA . 15817 1 206 . 1 1 22 22 MET HB2 H 1 2.840 0.02 . 2 . . . . 21 MET HB2 . 15817 1 207 . 1 1 22 22 MET HB3 H 1 2.430 0.02 . 2 . . . . 21 MET HB3 . 15817 1 208 . 1 1 22 22 MET C C 13 175.600 0.3 . 1 . . . . 21 MET C . 15817 1 209 . 1 1 22 22 MET CA C 13 58.000 0.3 . 1 . . . . 21 MET CA . 15817 1 210 . 1 1 22 22 MET CB C 13 33.300 0.3 . 1 . . . . 21 MET CB . 15817 1 211 . 1 1 22 22 MET N N 15 117.000 0.3 . 1 . . . . 21 MET N . 15817 1 212 . 1 1 23 23 MET H H 1 7.640 0.02 . 1 . . . . 22 MET H . 15817 1 213 . 1 1 23 23 MET HA H 1 4.880 0.02 . 1 . . . . 22 MET HA . 15817 1 214 . 1 1 23 23 MET HB2 H 1 1.710 0.02 . 2 . . . . 22 MET HB2 . 15817 1 215 . 1 1 23 23 MET HB3 H 1 2.050 0.02 . 2 . . . . 22 MET HB3 . 15817 1 216 . 1 1 23 23 MET C C 13 173.700 0.3 . 1 . . . . 22 MET C . 15817 1 217 . 1 1 23 23 MET CA C 13 55.346 0.3 . 1 . . . . 22 MET CA . 15817 1 218 . 1 1 23 23 MET CB C 13 38.483 0.3 . 1 . . . . 22 MET CB . 15817 1 219 . 1 1 23 23 MET CG C 13 31.800 0.3 . 1 . . . . 22 MET CG . 15817 1 220 . 1 1 23 23 MET N N 15 117.500 0.3 . 1 . . . . 22 MET N . 15817 1 221 . 1 1 24 24 ARG H H 1 9.050 0.02 . 1 . . . . 23 ARG H . 15817 1 222 . 1 1 24 24 ARG HA H 1 4.840 0.02 . 1 . . . . 23 ARG HA . 15817 1 223 . 1 1 24 24 ARG C C 13 173.100 0.3 . 1 . . . . 23 ARG C . 15817 1 224 . 1 1 24 24 ARG CA C 13 53.900 0.3 . 1 . . . . 23 ARG CA . 15817 1 225 . 1 1 24 24 ARG CB C 13 33.300 0.3 . 1 . . . . 23 ARG CB . 15817 1 226 . 1 1 24 24 ARG CD C 13 43.500 0.3 . 1 . . . . 23 ARG CD . 15817 1 227 . 1 1 24 24 ARG CG C 13 27.200 0.3 . 1 . . . . 23 ARG CG . 15817 1 228 . 1 1 24 24 ARG N N 15 119.700 0.3 . 1 . . . . 23 ARG N . 15817 1 229 . 1 1 25 25 SER H H 1 8.260 0.02 . 1 . . . . 24 SER H . 15817 1 230 . 1 1 25 25 SER HA H 1 5.250 0.02 . 1 . . . . 24 SER HA . 15817 1 231 . 1 1 25 25 SER HB2 H 1 3.597 0.02 . 2 . . . . 24 SER HB2 . 15817 1 232 . 1 1 25 25 SER HB3 H 1 3.526 0.02 . 2 . . . . 24 SER HB3 . 15817 1 233 . 1 1 25 25 SER C C 13 174.800 0.3 . 1 . . . . 24 SER C . 15817 1 234 . 1 1 25 25 SER CA C 13 56.000 0.3 . 1 . . . . 24 SER CA . 15817 1 235 . 1 1 25 25 SER CB C 13 64.500 0.3 . 1 . . . . 24 SER CB . 15817 1 236 . 1 1 25 25 SER N N 15 114.500 0.3 . 1 . . . . 24 SER N . 15817 1 237 . 1 1 26 26 GLU H H 1 8.960 0.02 . 1 . . . . 25 GLU H . 15817 1 238 . 1 1 26 26 GLU HA H 1 4.600 0.02 . 1 . . . . 25 GLU HA . 15817 1 239 . 1 1 26 26 GLU HB2 H 1 1.880 0.02 . 2 . . . . 25 GLU HB2 . 15817 1 240 . 1 1 26 26 GLU HB3 H 1 1.770 0.02 . 2 . . . . 25 GLU HB3 . 15817 1 241 . 1 1 26 26 GLU C C 13 174.900 0.3 . 1 . . . . 25 GLU C . 15817 1 242 . 1 1 26 26 GLU CA C 13 55.600 0.3 . 1 . . . . 25 GLU CA . 15817 1 243 . 1 1 26 26 GLU CB C 13 35.000 0.3 . 1 . . . . 25 GLU CB . 15817 1 244 . 1 1 26 26 GLU CG C 13 36.400 0.3 . 1 . . . . 25 GLU CG . 15817 1 245 . 1 1 26 26 GLU N N 15 124.500 0.3 . 1 . . . . 25 GLU N . 15817 1 246 . 1 1 27 27 VAL H H 1 9.040 0.02 . 1 . . . . 26 VAL H . 15817 1 247 . 1 1 27 27 VAL HA H 1 4.100 0.02 . 1 . . . . 26 VAL HA . 15817 1 248 . 1 1 27 27 VAL HB H 1 2.060 0.02 . 1 . . . . 26 VAL HB . 15817 1 249 . 1 1 27 27 VAL HG11 H 1 0.800 0.02 . 2 . . . . 26 VAL HG11 . 15817 1 250 . 1 1 27 27 VAL HG12 H 1 0.800 0.02 . 2 . . . . 26 VAL HG12 . 15817 1 251 . 1 1 27 27 VAL HG13 H 1 0.800 0.02 . 2 . . . . 26 VAL HG13 . 15817 1 252 . 1 1 27 27 VAL HG21 H 1 0.640 0.02 . 2 . . . . 26 VAL HG21 . 15817 1 253 . 1 1 27 27 VAL HG22 H 1 0.640 0.02 . 2 . . . . 26 VAL HG22 . 15817 1 254 . 1 1 27 27 VAL HG23 H 1 0.640 0.02 . 2 . . . . 26 VAL HG23 . 15817 1 255 . 1 1 27 27 VAL C C 13 174.700 0.3 . 1 . . . . 26 VAL C . 15817 1 256 . 1 1 27 27 VAL CA C 13 64.200 0.3 . 1 . . . . 26 VAL CA . 15817 1 257 . 1 1 27 27 VAL CB C 13 30.100 0.3 . 1 . . . . 26 VAL CB . 15817 1 258 . 1 1 27 27 VAL CG1 C 13 21.300 0.3 . 2 . . . . 26 VAL CG1 . 15817 1 259 . 1 1 27 27 VAL CG2 C 13 20.800 0.3 . 2 . . . . 26 VAL CG2 . 15817 1 260 . 1 1 27 27 VAL N N 15 126.100 0.3 . 1 . . . . 26 VAL N . 15817 1 261 . 1 1 28 28 VAL H H 1 8.180 0.02 . 1 . . . . 27 VAL H . 15817 1 262 . 1 1 28 28 VAL HA H 1 4.680 0.02 . 1 . . . . 27 VAL HA . 15817 1 263 . 1 1 28 28 VAL HB H 1 2.040 0.02 . 1 . . . . 27 VAL HB . 15817 1 264 . 1 1 28 28 VAL C C 13 175.400 0.3 . 1 . . . . 27 VAL C . 15817 1 265 . 1 1 28 28 VAL CA C 13 59.600 0.3 . 1 . . . . 27 VAL CA . 15817 1 266 . 1 1 28 28 VAL CB C 13 36.100 0.3 . 1 . . . . 27 VAL CB . 15817 1 267 . 1 1 28 28 VAL CG1 C 13 22.265 0.3 . 2 . . . . 27 VAL CG1 . 15817 1 268 . 1 1 28 28 VAL CG2 C 13 18.000 0.3 . 2 . . . . 27 VAL CG2 . 15817 1 269 . 1 1 28 28 VAL N N 15 122.800 0.3 . 1 . . . . 27 VAL N . 15817 1 270 . 1 1 29 29 THR H H 1 8.270 0.02 . 1 . . . . 28 THR H . 15817 1 271 . 1 1 29 29 THR HA H 1 4.399 0.02 . 1 . . . . 28 THR HA . 15817 1 272 . 1 1 29 29 THR HB H 1 3.910 0.02 . 1 . . . . 28 THR HB . 15817 1 273 . 1 1 29 29 THR HG21 H 1 1.160 0.02 . 1 . . . . 28 THR HG21 . 15817 1 274 . 1 1 29 29 THR HG22 H 1 1.160 0.02 . 1 . . . . 28 THR HG22 . 15817 1 275 . 1 1 29 29 THR HG23 H 1 1.160 0.02 . 1 . . . . 28 THR HG23 . 15817 1 276 . 1 1 29 29 THR CA C 13 59.000 0.3 . 1 . . . . 28 THR CA . 15817 1 277 . 1 1 29 29 THR CB C 13 71.400 0.3 . 1 . . . . 28 THR CB . 15817 1 278 . 1 1 29 29 THR CG2 C 13 20.700 0.3 . 1 . . . . 28 THR CG2 . 15817 1 279 . 1 1 29 29 THR N N 15 116.400 0.3 . 1 . . . . 28 THR N . 15817 1 280 . 1 1 30 30 PRO HA H 1 4.750 0.02 . 1 . . . . 29 PRO HA . 15817 1 281 . 1 1 30 30 PRO HB2 H 1 2.083 0.02 . 2 . . . . 29 PRO HB2 . 15817 1 282 . 1 1 30 30 PRO HB3 H 1 2.450 0.02 . 2 . . . . 29 PRO HB3 . 15817 1 283 . 1 1 30 30 PRO HD2 H 1 3.624 0.02 . 1 . . . . 29 PRO HD2 . 15817 1 284 . 1 1 30 30 PRO HD3 H 1 3.624 0.02 . 1 . . . . 29 PRO HD3 . 15817 1 285 . 1 1 30 30 PRO HG2 H 1 1.930 0.02 . 2 . . . . 29 PRO HG2 . 15817 1 286 . 1 1 30 30 PRO HG3 H 1 1.760 0.02 . 2 . . . . 29 PRO HG3 . 15817 1 287 . 1 1 30 30 PRO C C 13 176.100 0.3 . 1 . . . . 29 PRO C . 15817 1 288 . 1 1 30 30 PRO CA C 13 62.432 0.3 . 1 . . . . 29 PRO CA . 15817 1 289 . 1 1 30 30 PRO CB C 13 34.702 0.3 . 1 . . . . 29 PRO CB . 15817 1 290 . 1 1 30 30 PRO CD C 13 50.320 0.3 . 1 . . . . 29 PRO CD . 15817 1 291 . 1 1 30 30 PRO CG C 13 25.100 0.3 . 1 . . . . 29 PRO CG . 15817 1 292 . 1 1 31 31 VAL H H 1 8.240 0.02 . 1 . . . . 30 VAL H . 15817 1 293 . 1 1 31 31 VAL HA H 1 3.830 0.02 . 1 . . . . 30 VAL HA . 15817 1 294 . 1 1 31 31 VAL HB H 1 2.180 0.02 . 1 . . . . 30 VAL HB . 15817 1 295 . 1 1 31 31 VAL HG11 H 1 1.080 0.02 . 2 . . . . 30 VAL HG11 . 15817 1 296 . 1 1 31 31 VAL HG12 H 1 1.080 0.02 . 2 . . . . 30 VAL HG12 . 15817 1 297 . 1 1 31 31 VAL HG13 H 1 1.080 0.02 . 2 . . . . 30 VAL HG13 . 15817 1 298 . 1 1 31 31 VAL HG21 H 1 0.994 0.02 . 2 . . . . 30 VAL HG21 . 15817 1 299 . 1 1 31 31 VAL HG22 H 1 0.994 0.02 . 2 . . . . 30 VAL HG22 . 15817 1 300 . 1 1 31 31 VAL HG23 H 1 0.994 0.02 . 2 . . . . 30 VAL HG23 . 15817 1 301 . 1 1 31 31 VAL C C 13 176.100 0.3 . 1 . . . . 30 VAL C . 15817 1 302 . 1 1 31 31 VAL CA C 13 62.500 0.3 . 1 . . . . 30 VAL CA . 15817 1 303 . 1 1 31 31 VAL CB C 13 32.100 0.3 . 1 . . . . 30 VAL CB . 15817 1 304 . 1 1 31 31 VAL CG1 C 13 21.400 0.3 . 2 . . . . 30 VAL CG1 . 15817 1 305 . 1 1 31 31 VAL CG2 C 13 19.900 0.3 . 2 . . . . 30 VAL CG2 . 15817 1 306 . 1 1 31 31 VAL N N 15 116.700 0.3 . 1 . . . . 30 VAL N . 15817 1 307 . 1 1 32 32 GLY H H 1 8.230 0.02 . 1 . . . . 31 GLY H . 15817 1 308 . 1 1 32 32 GLY HA2 H 1 4.940 0.02 . 2 . . . . 31 GLY HA2 . 15817 1 309 . 1 1 32 32 GLY HA3 H 1 3.498 0.02 . 2 . . . . 31 GLY HA3 . 15817 1 310 . 1 1 32 32 GLY C C 13 174.700 0.3 . 1 . . . . 31 GLY C . 15817 1 311 . 1 1 32 32 GLY CA C 13 45.100 0.3 . 1 . . . . 31 GLY CA . 15817 1 312 . 1 1 32 32 GLY N N 15 110.700 0.3 . 1 . . . . 31 GLY N . 15817 1 313 . 1 1 33 33 ILE H H 1 8.660 0.02 . 1 . . . . 32 ILE H . 15817 1 314 . 1 1 33 33 ILE HA H 1 3.892 0.02 . 1 . . . . 32 ILE HA . 15817 1 315 . 1 1 33 33 ILE HB H 1 1.280 0.02 . 1 . . . . 32 ILE HB . 15817 1 316 . 1 1 33 33 ILE HD11 H 1 0.100 0.02 . 1 . . . . 32 ILE HD11 . 15817 1 317 . 1 1 33 33 ILE HD12 H 1 0.100 0.02 . 1 . . . . 32 ILE HD12 . 15817 1 318 . 1 1 33 33 ILE HD13 H 1 0.100 0.02 . 1 . . . . 32 ILE HD13 . 15817 1 319 . 1 1 33 33 ILE HG21 H 1 1.011 0.02 . 1 . . . . 32 ILE HG21 . 15817 1 320 . 1 1 33 33 ILE HG22 H 1 1.011 0.02 . 1 . . . . 32 ILE HG22 . 15817 1 321 . 1 1 33 33 ILE HG23 H 1 1.011 0.02 . 1 . . . . 32 ILE HG23 . 15817 1 322 . 1 1 33 33 ILE CA C 13 61.250 0.3 . 1 . . . . 32 ILE CA . 15817 1 323 . 1 1 33 33 ILE CB C 13 39.700 0.3 . 1 . . . . 32 ILE CB . 15817 1 324 . 1 1 33 33 ILE CD1 C 13 13.900 0.3 . 1 . . . . 32 ILE CD1 . 15817 1 325 . 1 1 33 33 ILE CG1 C 13 28.700 0.3 . 1 . . . . 32 ILE CG1 . 15817 1 326 . 1 1 33 33 ILE CG2 C 13 15.893 0.3 . 1 . . . . 32 ILE CG2 . 15817 1 327 . 1 1 33 33 ILE N N 15 128.200 0.3 . 1 . . . . 32 ILE N . 15817 1 328 . 1 1 34 34 PRO HA H 1 4.670 0.02 . 1 . . . . 33 PRO HA . 15817 1 329 . 1 1 34 34 PRO HB2 H 1 1.990 0.02 . 2 . . . . 33 PRO HB2 . 15817 1 330 . 1 1 34 34 PRO HB3 H 1 2.380 0.02 . 2 . . . . 33 PRO HB3 . 15817 1 331 . 1 1 34 34 PRO HG2 H 1 1.970 0.02 . 2 . . . . 33 PRO HG2 . 15817 1 332 . 1 1 34 34 PRO HG3 H 1 2.040 0.02 . 2 . . . . 33 PRO HG3 . 15817 1 333 . 1 1 34 34 PRO C C 13 178.300 0.3 . 1 . . . . 33 PRO C . 15817 1 334 . 1 1 34 34 PRO CA C 13 63.100 0.3 . 1 . . . . 33 PRO CA . 15817 1 335 . 1 1 34 34 PRO CB C 13 32.700 0.3 . 1 . . . . 33 PRO CB . 15817 1 336 . 1 1 34 34 PRO CD C 13 51.100 0.3 . 1 . . . . 33 PRO CD . 15817 1 337 . 1 1 34 34 PRO CG C 13 27.700 0.3 . 1 . . . . 33 PRO CG . 15817 1 338 . 1 1 35 35 ALA H H 1 8.220 0.02 . 1 . . . . 34 ALA H . 15817 1 339 . 1 1 35 35 ALA HA H 1 3.839 0.02 . 1 . . . . 34 ALA HA . 15817 1 340 . 1 1 35 35 ALA HB1 H 1 1.230 0.02 . 1 . . . . 34 ALA HB1 . 15817 1 341 . 1 1 35 35 ALA HB2 H 1 1.230 0.02 . 1 . . . . 34 ALA HB2 . 15817 1 342 . 1 1 35 35 ALA HB3 H 1 1.230 0.02 . 1 . . . . 34 ALA HB3 . 15817 1 343 . 1 1 35 35 ALA C C 13 179.900 0.3 . 1 . . . . 34 ALA C . 15817 1 344 . 1 1 35 35 ALA CA C 13 54.581 0.3 . 1 . . . . 34 ALA CA . 15817 1 345 . 1 1 35 35 ALA CB C 13 18.700 0.3 . 1 . . . . 34 ALA CB . 15817 1 346 . 1 1 35 35 ALA N N 15 124.700 0.3 . 1 . . . . 34 ALA N . 15817 1 347 . 1 1 36 36 GLU H H 1 9.090 0.02 . 1 . . . . 35 GLU H . 15817 1 348 . 1 1 36 36 GLU HA H 1 4.040 0.02 . 1 . . . . 35 GLU HA . 15817 1 349 . 1 1 36 36 GLU HG2 H 1 2.385 0.02 . 2 . . . . 35 GLU HG2 . 15817 1 350 . 1 1 36 36 GLU HG3 H 1 2.270 0.02 . 2 . . . . 35 GLU HG3 . 15817 1 351 . 1 1 36 36 GLU C C 13 176.800 0.3 . 1 . . . . 35 GLU C . 15817 1 352 . 1 1 36 36 GLU CA C 13 59.200 0.3 . 1 . . . . 35 GLU CA . 15817 1 353 . 1 1 36 36 GLU CB C 13 28.900 0.3 . 1 . . . . 35 GLU CB . 15817 1 354 . 1 1 36 36 GLU CG C 13 36.800 0.3 . 1 . . . . 35 GLU CG . 15817 1 355 . 1 1 36 36 GLU N N 15 117.900 0.3 . 1 . . . . 35 GLU N . 15817 1 356 . 1 1 37 37 ASP H H 1 8.160 0.02 . 1 . . . . 36 ASP H . 15817 1 357 . 1 1 37 37 ASP HA H 1 4.920 0.02 . 1 . . . . 36 ASP HA . 15817 1 358 . 1 1 37 37 ASP HB2 H 1 2.940 0.02 . 2 . . . . 36 ASP HB2 . 15817 1 359 . 1 1 37 37 ASP HB3 H 1 2.780 0.02 . 2 . . . . 36 ASP HB3 . 15817 1 360 . 1 1 37 37 ASP C C 13 177.000 0.3 . 1 . . . . 36 ASP C . 15817 1 361 . 1 1 37 37 ASP CA C 13 54.900 0.3 . 1 . . . . 36 ASP CA . 15817 1 362 . 1 1 37 37 ASP CB C 13 40.700 0.3 . 1 . . . . 36 ASP CB . 15817 1 363 . 1 1 37 37 ASP N N 15 117.300 0.3 . 1 . . . . 36 ASP N . 15817 1 364 . 1 1 38 38 ILE H H 1 7.640 0.02 . 1 . . . . 37 ILE H . 15817 1 365 . 1 1 38 38 ILE HA H 1 3.680 0.02 . 1 . . . . 37 ILE HA . 15817 1 366 . 1 1 38 38 ILE HB H 1 1.910 0.02 . 1 . . . . 37 ILE HB . 15817 1 367 . 1 1 38 38 ILE HD11 H 1 0.796 0.02 . 1 . . . . 37 ILE HD11 . 15817 1 368 . 1 1 38 38 ILE HD12 H 1 0.796 0.02 . 1 . . . . 37 ILE HD12 . 15817 1 369 . 1 1 38 38 ILE HD13 H 1 0.796 0.02 . 1 . . . . 37 ILE HD13 . 15817 1 370 . 1 1 38 38 ILE HG12 H 1 1.180 0.02 . 2 . . . . 37 ILE HG12 . 15817 1 371 . 1 1 38 38 ILE HG13 H 1 1.889 0.02 . 2 . . . . 37 ILE HG13 . 15817 1 372 . 1 1 38 38 ILE HG21 H 1 0.827 0.02 . 1 . . . . 37 ILE HG21 . 15817 1 373 . 1 1 38 38 ILE HG22 H 1 0.827 0.02 . 1 . . . . 37 ILE HG22 . 15817 1 374 . 1 1 38 38 ILE HG23 H 1 0.827 0.02 . 1 . . . . 37 ILE HG23 . 15817 1 375 . 1 1 38 38 ILE CA C 13 69.200 0.3 . 1 . . . . 37 ILE CA . 15817 1 376 . 1 1 38 38 ILE CB C 13 36.400 0.3 . 1 . . . . 37 ILE CB . 15817 1 377 . 1 1 38 38 ILE CD1 C 13 12.232 0.3 . 1 . . . . 37 ILE CD1 . 15817 1 378 . 1 1 38 38 ILE CG1 C 13 33.348 0.3 . 1 . . . . 37 ILE CG1 . 15817 1 379 . 1 1 38 38 ILE CG2 C 13 16.759 0.3 . 1 . . . . 37 ILE CG2 . 15817 1 380 . 1 1 38 38 ILE N N 15 121.400 0.3 . 1 . . . . 37 ILE N . 15817 1 381 . 1 1 39 39 PRO HA H 1 4.190 0.02 . 1 . . . . 38 PRO HA . 15817 1 382 . 1 1 39 39 PRO HB2 H 1 1.860 0.02 . 2 . . . . 38 PRO HB2 . 15817 1 383 . 1 1 39 39 PRO HB3 H 1 2.350 0.02 . 2 . . . . 38 PRO HB3 . 15817 1 384 . 1 1 39 39 PRO HD2 H 1 3.510 0.02 . 2 . . . . 38 PRO HD2 . 15817 1 385 . 1 1 39 39 PRO HD3 H 1 3.710 0.02 . 2 . . . . 38 PRO HD3 . 15817 1 386 . 1 1 39 39 PRO HG2 H 1 1.980 0.02 . 2 . . . . 38 PRO HG2 . 15817 1 387 . 1 1 39 39 PRO HG3 H 1 2.070 0.02 . 2 . . . . 38 PRO HG3 . 15817 1 388 . 1 1 39 39 PRO C C 13 179.400 0.3 . 1 . . . . 38 PRO C . 15817 1 389 . 1 1 39 39 PRO CA C 13 65.878 0.3 . 1 . . . . 38 PRO CA . 15817 1 390 . 1 1 39 39 PRO CB C 13 31.200 0.3 . 1 . . . . 38 PRO CB . 15817 1 391 . 1 1 39 39 PRO CD C 13 49.000 0.3 . 1 . . . . 38 PRO CD . 15817 1 392 . 1 1 39 39 PRO CG C 13 28.500 0.3 . 1 . . . . 38 PRO CG . 15817 1 393 . 1 1 40 40 ARG H H 1 7.310 0.02 . 1 . . . . 39 ARG H . 15817 1 394 . 1 1 40 40 ARG HA H 1 4.230 0.02 . 1 . . . . 39 ARG HA . 15817 1 395 . 1 1 40 40 ARG C C 13 175.900 0.3 . 1 . . . . 39 ARG C . 15817 1 396 . 1 1 40 40 ARG CA C 13 57.300 0.3 . 1 . . . . 39 ARG CA . 15817 1 397 . 1 1 40 40 ARG CB C 13 30.800 0.3 . 1 . . . . 39 ARG CB . 15817 1 398 . 1 1 40 40 ARG CD C 13 44.100 0.3 . 1 . . . . 39 ARG CD . 15817 1 399 . 1 1 40 40 ARG CG C 13 27.500 0.3 . 1 . . . . 39 ARG CG . 15817 1 400 . 1 1 40 40 ARG N N 15 114.700 0.3 . 1 . . . . 39 ARG N . 15817 1 401 . 1 1 41 41 LEU H H 1 7.670 0.02 . 1 . . . . 40 LEU H . 15817 1 402 . 1 1 41 41 LEU HA H 1 4.150 0.02 . 1 . . . . 40 LEU HA . 15817 1 403 . 1 1 41 41 LEU HB2 H 1 1.430 0.02 . 2 . . . . 40 LEU HB2 . 15817 1 404 . 1 1 41 41 LEU HB3 H 1 1.760 0.02 . 2 . . . . 40 LEU HB3 . 15817 1 405 . 1 1 41 41 LEU HG H 1 0.794 0.02 . 1 . . . . 40 LEU HG . 15817 1 406 . 1 1 41 41 LEU C C 13 177.800 0.3 . 1 . . . . 40 LEU C . 15817 1 407 . 1 1 41 41 LEU CA C 13 55.500 0.3 . 1 . . . . 40 LEU CA . 15817 1 408 . 1 1 41 41 LEU CB C 13 42.700 0.3 . 1 . . . . 40 LEU CB . 15817 1 409 . 1 1 41 41 LEU CD1 C 13 24.400 0.3 . 2 . . . . 40 LEU CD1 . 15817 1 410 . 1 1 41 41 LEU CD2 C 13 25.000 0.3 . 2 . . . . 40 LEU CD2 . 15817 1 411 . 1 1 41 41 LEU CG C 13 26.800 0.3 . 1 . . . . 40 LEU CG . 15817 1 412 . 1 1 41 41 LEU N N 15 117.900 0.3 . 1 . . . . 40 LEU N . 15817 1 413 . 1 1 42 42 VAL H H 1 6.650 0.02 . 1 . . . . 41 VAL H . 15817 1 414 . 1 1 42 42 VAL HA H 1 3.231 0.02 . 1 . . . . 41 VAL HA . 15817 1 415 . 1 1 42 42 VAL HB H 1 1.951 0.02 . 1 . . . . 41 VAL HB . 15817 1 416 . 1 1 42 42 VAL HG11 H 1 0.970 0.02 . 2 . . . . 41 VAL HG11 . 15817 1 417 . 1 1 42 42 VAL HG12 H 1 0.970 0.02 . 2 . . . . 41 VAL HG12 . 15817 1 418 . 1 1 42 42 VAL HG13 H 1 0.970 0.02 . 2 . . . . 41 VAL HG13 . 15817 1 419 . 1 1 42 42 VAL HG21 H 1 1.060 0.02 . 2 . . . . 41 VAL HG21 . 15817 1 420 . 1 1 42 42 VAL HG22 H 1 1.060 0.02 . 2 . . . . 41 VAL HG22 . 15817 1 421 . 1 1 42 42 VAL HG23 H 1 1.060 0.02 . 2 . . . . 41 VAL HG23 . 15817 1 422 . 1 1 42 42 VAL C C 13 177.800 0.3 . 1 . . . . 41 VAL C . 15817 1 423 . 1 1 42 42 VAL CA C 13 65.224 0.3 . 1 . . . . 41 VAL CA . 15817 1 424 . 1 1 42 42 VAL CB C 13 31.600 0.3 . 1 . . . . 41 VAL CB . 15817 1 425 . 1 1 42 42 VAL CG1 C 13 23.100 0.3 . 2 . . . . 41 VAL CG1 . 15817 1 426 . 1 1 42 42 VAL CG2 C 13 21.400 0.3 . 2 . . . . 41 VAL CG2 . 15817 1 427 . 1 1 42 42 VAL N N 15 116.300 0.3 . 1 . . . . 41 VAL N . 15817 1 428 . 1 1 43 43 SER H H 1 9.370 0.02 . 1 . . . . 42 SER H . 15817 1 429 . 1 1 43 43 SER HA H 1 4.450 0.02 . 1 . . . . 42 SER HA . 15817 1 430 . 1 1 43 43 SER C C 13 174.000 0.3 . 1 . . . . 42 SER C . 15817 1 431 . 1 1 43 43 SER CA C 13 58.200 0.3 . 1 . . . . 42 SER CA . 15817 1 432 . 1 1 43 43 SER CB C 13 63.800 0.3 . 1 . . . . 42 SER CB . 15817 1 433 . 1 1 43 43 SER N N 15 121.600 0.3 . 1 . . . . 42 SER N . 15817 1 434 . 1 1 44 44 MET H H 1 8.720 0.02 . 1 . . . . 43 MET H . 15817 1 435 . 1 1 44 44 MET HA H 1 4.550 0.02 . 1 . . . . 43 MET HA . 15817 1 436 . 1 1 44 44 MET C C 13 175.100 0.3 . 1 . . . . 43 MET C . 15817 1 437 . 1 1 44 44 MET CA C 13 57.000 0.3 . 1 . . . . 43 MET CA . 15817 1 438 . 1 1 44 44 MET CB C 13 32.800 0.3 . 1 . . . . 43 MET CB . 15817 1 439 . 1 1 44 44 MET CG C 13 31.100 0.3 . 1 . . . . 43 MET CG . 15817 1 440 . 1 1 44 44 MET N N 15 123.500 0.3 . 1 . . . . 43 MET N . 15817 1 441 . 1 1 45 45 GLN H H 1 8.870 0.02 . 1 . . . . 44 GLN H . 15817 1 442 . 1 1 45 45 GLN HA H 1 5.292 0.02 . 1 . . . . 44 GLN HA . 15817 1 443 . 1 1 45 45 GLN C C 13 177.100 0.3 . 1 . . . . 44 GLN C . 15817 1 444 . 1 1 45 45 GLN CA C 13 54.500 0.3 . 1 . . . . 44 GLN CA . 15817 1 445 . 1 1 45 45 GLN CB C 13 32.300 0.3 . 1 . . . . 44 GLN CB . 15817 1 446 . 1 1 45 45 GLN CG C 13 34.100 0.3 . 1 . . . . 44 GLN CG . 15817 1 447 . 1 1 45 45 GLN N N 15 118.300 0.3 . 1 . . . . 44 GLN N . 15817 1 448 . 1 1 46 46 VAL H H 1 7.510 0.02 . 1 . . . . 45 VAL H . 15817 1 449 . 1 1 46 46 VAL HA H 1 5.345 0.02 . 1 . . . . 45 VAL HA . 15817 1 450 . 1 1 46 46 VAL HB H 1 2.480 0.02 . 1 . . . . 45 VAL HB . 15817 1 451 . 1 1 46 46 VAL HG11 H 1 1.020 0.02 . 2 . . . . 45 VAL HG11 . 15817 1 452 . 1 1 46 46 VAL HG12 H 1 1.020 0.02 . 2 . . . . 45 VAL HG12 . 15817 1 453 . 1 1 46 46 VAL HG13 H 1 1.020 0.02 . 2 . . . . 45 VAL HG13 . 15817 1 454 . 1 1 46 46 VAL HG21 H 1 1.120 0.02 . 2 . . . . 45 VAL HG21 . 15817 1 455 . 1 1 46 46 VAL HG22 H 1 1.120 0.02 . 2 . . . . 45 VAL HG22 . 15817 1 456 . 1 1 46 46 VAL HG23 H 1 1.120 0.02 . 2 . . . . 45 VAL HG23 . 15817 1 457 . 1 1 46 46 VAL C C 13 178.100 0.3 . 1 . . . . 45 VAL C . 15817 1 458 . 1 1 46 46 VAL CA C 13 59.849 0.3 . 1 . . . . 45 VAL CA . 15817 1 459 . 1 1 46 46 VAL CB C 13 33.500 0.3 . 1 . . . . 45 VAL CB . 15817 1 460 . 1 1 46 46 VAL CG1 C 13 22.400 0.3 . 2 . . . . 45 VAL CG1 . 15817 1 461 . 1 1 46 46 VAL CG2 C 13 20.700 0.3 . 2 . . . . 45 VAL CG2 . 15817 1 462 . 1 1 46 46 VAL N N 15 111.100 0.3 . 1 . . . . 45 VAL N . 15817 1 463 . 1 1 47 47 ASN H H 1 8.530 0.02 . 1 . . . . 46 ASN H . 15817 1 464 . 1 1 47 47 ASN HA H 1 4.730 0.02 . 1 . . . . 46 ASN HA . 15817 1 465 . 1 1 47 47 ASN HB2 H 1 3.250 0.02 . 2 . . . . 46 ASN HB2 . 15817 1 466 . 1 1 47 47 ASN HB3 H 1 2.420 0.02 . 2 . . . . 46 ASN HB3 . 15817 1 467 . 1 1 47 47 ASN C C 13 174.600 0.3 . 1 . . . . 46 ASN C . 15817 1 468 . 1 1 47 47 ASN CA C 13 51.900 0.3 . 1 . . . . 46 ASN CA . 15817 1 469 . 1 1 47 47 ASN CB C 13 39.400 0.3 . 1 . . . . 46 ASN CB . 15817 1 470 . 1 1 47 47 ASN N N 15 118.300 0.3 . 1 . . . . 46 ASN N . 15817 1 471 . 1 1 48 48 ARG H H 1 7.790 0.02 . 1 . . . . 47 ARG H . 15817 1 472 . 1 1 48 48 ARG HA H 1 4.400 0.02 . 1 . . . . 47 ARG HA . 15817 1 473 . 1 1 48 48 ARG HG2 H 1 1.570 0.02 . 2 . . . . 47 ARG HG2 . 15817 1 474 . 1 1 48 48 ARG HG3 H 1 1.480 0.02 . 2 . . . . 47 ARG HG3 . 15817 1 475 . 1 1 48 48 ARG C C 13 172.400 0.3 . 1 . . . . 47 ARG C . 15817 1 476 . 1 1 48 48 ARG CA C 13 53.700 0.3 . 1 . . . . 47 ARG CA . 15817 1 477 . 1 1 48 48 ARG CB C 13 32.000 0.3 . 1 . . . . 47 ARG CB . 15817 1 478 . 1 1 48 48 ARG CD C 13 44.000 0.3 . 1 . . . . 47 ARG CD . 15817 1 479 . 1 1 48 48 ARG CG C 13 24.000 0.3 . 1 . . . . 47 ARG CG . 15817 1 480 . 1 1 48 48 ARG N N 15 114.500 0.3 . 1 . . . . 47 ARG N . 15817 1 481 . 1 1 49 49 ALA H H 1 8.440 0.02 . 1 . . . . 48 ALA H . 15817 1 482 . 1 1 49 49 ALA HA H 1 4.730 0.02 . 1 . . . . 48 ALA HA . 15817 1 483 . 1 1 49 49 ALA HB1 H 1 1.310 0.02 . 1 . . . . 48 ALA HB1 . 15817 1 484 . 1 1 49 49 ALA HB2 H 1 1.310 0.02 . 1 . . . . 48 ALA HB2 . 15817 1 485 . 1 1 49 49 ALA HB3 H 1 1.310 0.02 . 1 . . . . 48 ALA HB3 . 15817 1 486 . 1 1 49 49 ALA C C 13 178.700 0.3 . 1 . . . . 48 ALA C . 15817 1 487 . 1 1 49 49 ALA CA C 13 52.000 0.3 . 1 . . . . 48 ALA CA . 15817 1 488 . 1 1 49 49 ALA CB C 13 18.300 0.3 . 1 . . . . 48 ALA CB . 15817 1 489 . 1 1 49 49 ALA N N 15 120.400 0.3 . 1 . . . . 48 ALA N . 15817 1 490 . 1 1 50 50 VAL H H 1 9.230 0.02 . 1 . . . . 49 VAL H . 15817 1 491 . 1 1 50 50 VAL HA H 1 4.460 0.02 . 1 . . . . 49 VAL HA . 15817 1 492 . 1 1 50 50 VAL HB H 1 2.240 0.02 . 1 . . . . 49 VAL HB . 15817 1 493 . 1 1 50 50 VAL HG11 H 1 0.880 0.02 . 2 . . . . 49 VAL HG11 . 15817 1 494 . 1 1 50 50 VAL HG12 H 1 0.880 0.02 . 2 . . . . 49 VAL HG12 . 15817 1 495 . 1 1 50 50 VAL HG13 H 1 0.880 0.02 . 2 . . . . 49 VAL HG13 . 15817 1 496 . 1 1 50 50 VAL HG21 H 1 1.000 0.02 . 2 . . . . 49 VAL HG21 . 15817 1 497 . 1 1 50 50 VAL HG22 H 1 1.000 0.02 . 2 . . . . 49 VAL HG22 . 15817 1 498 . 1 1 50 50 VAL HG23 H 1 1.000 0.02 . 2 . . . . 49 VAL HG23 . 15817 1 499 . 1 1 50 50 VAL CA C 13 59.600 0.3 . 1 . . . . 49 VAL CA . 15817 1 500 . 1 1 50 50 VAL CB C 13 33.700 0.3 . 1 . . . . 49 VAL CB . 15817 1 501 . 1 1 50 50 VAL CG1 C 13 22.400 0.3 . 2 . . . . 49 VAL CG1 . 15817 1 502 . 1 1 50 50 VAL CG2 C 13 20.400 0.3 . 2 . . . . 49 VAL CG2 . 15817 1 503 . 1 1 50 50 VAL N N 15 124.800 0.3 . 1 . . . . 49 VAL N . 15817 1 504 . 1 1 51 51 PRO HA H 1 4.300 0.02 . 1 . . . . 50 PRO HA . 15817 1 505 . 1 1 51 51 PRO C C 13 176.400 0.3 . 1 . . . . 50 PRO C . 15817 1 506 . 1 1 51 51 PRO CA C 13 62.400 0.3 . 1 . . . . 50 PRO CA . 15817 1 507 . 1 1 51 51 PRO CB C 13 32.500 0.3 . 1 . . . . 50 PRO CB . 15817 1 508 . 1 1 51 51 PRO CD C 13 51.200 0.3 . 1 . . . . 50 PRO CD . 15817 1 509 . 1 1 51 51 PRO CG C 13 27.500 0.3 . 1 . . . . 50 PRO CG . 15817 1 510 . 1 1 52 52 LEU H H 1 8.150 0.02 . 1 . . . . 51 LEU H . 15817 1 511 . 1 1 52 52 LEU HA H 1 3.380 0.02 . 1 . . . . 51 LEU HA . 15817 1 512 . 1 1 52 52 LEU HB2 H 1 1.560 0.02 . 2 . . . . 51 LEU HB2 . 15817 1 513 . 1 1 52 52 LEU HB3 H 1 1.320 0.02 . 2 . . . . 51 LEU HB3 . 15817 1 514 . 1 1 52 52 LEU HG H 1 1.300 0.02 . 1 . . . . 51 LEU HG . 15817 1 515 . 1 1 52 52 LEU C C 13 177.900 0.3 . 1 . . . . 51 LEU C . 15817 1 516 . 1 1 52 52 LEU CA C 13 57.800 0.3 . 1 . . . . 51 LEU CA . 15817 1 517 . 1 1 52 52 LEU CB C 13 42.700 0.3 . 1 . . . . 51 LEU CB . 15817 1 518 . 1 1 52 52 LEU CD1 C 13 25.200 0.3 . 2 . . . . 51 LEU CD1 . 15817 1 519 . 1 1 52 52 LEU CD2 C 13 24.800 0.3 . 2 . . . . 51 LEU CD2 . 15817 1 520 . 1 1 52 52 LEU CG C 13 27.200 0.3 . 1 . . . . 51 LEU CG . 15817 1 521 . 1 1 52 52 LEU N N 15 124.000 0.3 . 1 . . . . 51 LEU N . 15817 1 522 . 1 1 53 53 GLY H H 1 8.870 0.02 . 1 . . . . 52 GLY H . 15817 1 523 . 1 1 53 53 GLY HA2 H 1 4.199 0.02 . 2 . . . . 52 GLY HA2 . 15817 1 524 . 1 1 53 53 GLY HA3 H 1 3.470 0.02 . 2 . . . . 52 GLY HA3 . 15817 1 525 . 1 1 53 53 GLY C C 13 174.000 0.3 . 1 . . . . 52 GLY C . 15817 1 526 . 1 1 53 53 GLY CA C 13 45.400 0.3 . 1 . . . . 52 GLY CA . 15817 1 527 . 1 1 53 53 GLY N N 15 114.700 0.3 . 1 . . . . 52 GLY N . 15817 1 528 . 1 1 54 54 THR H H 1 7.730 0.02 . 1 . . . . 53 THR H . 15817 1 529 . 1 1 54 54 THR HA H 1 4.260 0.02 . 1 . . . . 53 THR HA . 15817 1 530 . 1 1 54 54 THR HB H 1 4.090 0.02 . 1 . . . . 53 THR HB . 15817 1 531 . 1 1 54 54 THR HG21 H 1 1.250 0.02 . 1 . . . . 53 THR HG21 . 15817 1 532 . 1 1 54 54 THR HG22 H 1 1.250 0.02 . 1 . . . . 53 THR HG22 . 15817 1 533 . 1 1 54 54 THR HG23 H 1 1.250 0.02 . 1 . . . . 53 THR HG23 . 15817 1 534 . 1 1 54 54 THR C C 13 173.500 0.3 . 1 . . . . 53 THR C . 15817 1 535 . 1 1 54 54 THR CA C 13 63.183 0.3 . 1 . . . . 53 THR CA . 15817 1 536 . 1 1 54 54 THR CB C 13 69.700 0.3 . 1 . . . . 53 THR CB . 15817 1 537 . 1 1 54 54 THR CG2 C 13 21.571 0.3 . 1 . . . . 53 THR CG2 . 15817 1 538 . 1 1 54 54 THR N N 15 118.100 0.3 . 1 . . . . 53 THR N . 15817 1 539 . 1 1 55 55 THR H H 1 8.700 0.02 . 1 . . . . 54 THR H . 15817 1 540 . 1 1 55 55 THR HA H 1 4.270 0.02 . 1 . . . . 54 THR HA . 15817 1 541 . 1 1 55 55 THR HB H 1 3.922 0.02 . 1 . . . . 54 THR HB . 15817 1 542 . 1 1 55 55 THR HG21 H 1 1.100 0.02 . 1 . . . . 54 THR HG21 . 15817 1 543 . 1 1 55 55 THR HG22 H 1 1.100 0.02 . 1 . . . . 54 THR HG22 . 15817 1 544 . 1 1 55 55 THR HG23 H 1 1.100 0.02 . 1 . . . . 54 THR HG23 . 15817 1 545 . 1 1 55 55 THR C C 13 173.500 0.3 . 1 . . . . 54 THR C . 15817 1 546 . 1 1 55 55 THR CA C 13 63.200 0.3 . 1 . . . . 54 THR CA . 15817 1 547 . 1 1 55 55 THR CB C 13 68.946 0.3 . 1 . . . . 54 THR CB . 15817 1 548 . 1 1 55 55 THR CG2 C 13 22.800 0.3 . 1 . . . . 54 THR CG2 . 15817 1 549 . 1 1 55 55 THR N N 15 124.100 0.3 . 1 . . . . 54 THR N . 15817 1 550 . 1 1 56 56 LEU H H 1 9.080 0.02 . 1 . . . . 55 LEU H . 15817 1 551 . 1 1 56 56 LEU HA H 1 4.340 0.02 . 1 . . . . 55 LEU HA . 15817 1 552 . 1 1 56 56 LEU HB2 H 1 1.420 0.02 . 2 . . . . 55 LEU HB2 . 15817 1 553 . 1 1 56 56 LEU HB3 H 1 1.180 0.02 . 2 . . . . 55 LEU HB3 . 15817 1 554 . 1 1 56 56 LEU HD11 H 1 0.650 0.02 . 2 . . . . 55 LEU HD11 . 15817 1 555 . 1 1 56 56 LEU HD12 H 1 0.650 0.02 . 2 . . . . 55 LEU HD12 . 15817 1 556 . 1 1 56 56 LEU HD13 H 1 0.650 0.02 . 2 . . . . 55 LEU HD13 . 15817 1 557 . 1 1 56 56 LEU HD21 H 1 0.770 0.02 . 2 . . . . 55 LEU HD21 . 15817 1 558 . 1 1 56 56 LEU HD22 H 1 0.770 0.02 . 2 . . . . 55 LEU HD22 . 15817 1 559 . 1 1 56 56 LEU HD23 H 1 0.770 0.02 . 2 . . . . 55 LEU HD23 . 15817 1 560 . 1 1 56 56 LEU HG H 1 1.415 0.02 . 1 . . . . 55 LEU HG . 15817 1 561 . 1 1 56 56 LEU C C 13 174.600 0.3 . 1 . . . . 55 LEU C . 15817 1 562 . 1 1 56 56 LEU CA C 13 55.600 0.3 . 1 . . . . 55 LEU CA . 15817 1 563 . 1 1 56 56 LEU CB C 13 42.300 0.3 . 1 . . . . 55 LEU CB . 15817 1 564 . 1 1 56 56 LEU CD1 C 13 26.200 0.3 . 2 . . . . 55 LEU CD1 . 15817 1 565 . 1 1 56 56 LEU CD2 C 13 25.300 0.3 . 2 . . . . 55 LEU CD2 . 15817 1 566 . 1 1 56 56 LEU CG C 13 28.500 0.3 . 1 . . . . 55 LEU CG . 15817 1 567 . 1 1 56 56 LEU N N 15 130.600 0.3 . 1 . . . . 55 LEU N . 15817 1 568 . 1 1 57 57 MET H H 1 7.820 0.02 . 1 . . . . 56 MET H . 15817 1 569 . 1 1 57 57 MET HA H 1 5.040 0.02 . 1 . . . . 56 MET HA . 15817 1 570 . 1 1 57 57 MET HB2 H 1 2.550 0.02 . 2 . . . . 56 MET HB2 . 15817 1 571 . 1 1 57 57 MET HB3 H 1 2.289 0.02 . 2 . . . . 56 MET HB3 . 15817 1 572 . 1 1 57 57 MET CA C 13 51.200 0.3 . 1 . . . . 56 MET CA . 15817 1 573 . 1 1 57 57 MET CB C 13 32.000 0.3 . 1 . . . . 56 MET CB . 15817 1 574 . 1 1 57 57 MET N N 15 125.400 0.3 . 1 . . . . 56 MET N . 15817 1 575 . 1 1 58 58 PRO HA H 1 3.621 0.02 . 1 . . . . 57 PRO HA . 15817 1 576 . 1 1 58 58 PRO HB2 H 1 2.070 0.02 . 2 . . . . 57 PRO HB2 . 15817 1 577 . 1 1 58 58 PRO HB3 H 1 2.430 0.02 . 2 . . . . 57 PRO HB3 . 15817 1 578 . 1 1 58 58 PRO HD2 H 1 4.090 0.02 . 2 . . . . 57 PRO HD2 . 15817 1 579 . 1 1 58 58 PRO HD3 H 1 3.880 0.02 . 2 . . . . 57 PRO HD3 . 15817 1 580 . 1 1 58 58 PRO HG2 H 1 2.250 0.02 . 2 . . . . 57 PRO HG2 . 15817 1 581 . 1 1 58 58 PRO HG3 H 1 1.810 0.02 . 2 . . . . 57 PRO HG3 . 15817 1 582 . 1 1 58 58 PRO C C 13 176.700 0.3 . 1 . . . . 57 PRO C . 15817 1 583 . 1 1 58 58 PRO CA C 13 66.100 0.3 . 1 . . . . 57 PRO CA . 15817 1 584 . 1 1 58 58 PRO CB C 13 32.800 0.3 . 1 . . . . 57 PRO CB . 15817 1 585 . 1 1 58 58 PRO CD C 13 50.600 0.3 . 1 . . . . 57 PRO CD . 15817 1 586 . 1 1 58 58 PRO CG C 13 27.800 0.3 . 1 . . . . 57 PRO CG . 15817 1 587 . 1 1 59 59 ASP H H 1 8.000 0.02 . 1 . . . . 58 ASP H . 15817 1 588 . 1 1 59 59 ASP HA H 1 4.450 0.02 . 1 . . . . 58 ASP HA . 15817 1 589 . 1 1 59 59 ASP HB2 H 1 2.820 0.02 . 2 . . . . 58 ASP HB2 . 15817 1 590 . 1 1 59 59 ASP HB3 H 1 2.630 0.02 . 2 . . . . 58 ASP HB3 . 15817 1 591 . 1 1 59 59 ASP C C 13 177.300 0.3 . 1 . . . . 58 ASP C . 15817 1 592 . 1 1 59 59 ASP CA C 13 54.700 0.3 . 1 . . . . 58 ASP CA . 15817 1 593 . 1 1 59 59 ASP CB C 13 39.900 0.3 . 1 . . . . 58 ASP CB . 15817 1 594 . 1 1 59 59 ASP N N 15 110.400 0.3 . 1 . . . . 58 ASP N . 15817 1 595 . 1 1 60 60 MET H H 1 8.120 0.02 . 1 . . . . 59 MET H . 15817 1 596 . 1 1 60 60 MET HA H 1 4.490 0.02 . 1 . . . . 59 MET HA . 15817 1 597 . 1 1 60 60 MET HB2 H 1 2.230 0.02 . 2 . . . . 59 MET HB2 . 15817 1 598 . 1 1 60 60 MET HB3 H 1 2.400 0.02 . 2 . . . . 59 MET HB3 . 15817 1 599 . 1 1 60 60 MET C C 13 174.800 0.3 . 1 . . . . 59 MET C . 15817 1 600 . 1 1 60 60 MET CA C 13 57.100 0.3 . 1 . . . . 59 MET CA . 15817 1 601 . 1 1 60 60 MET CB C 13 33.900 0.3 . 1 . . . . 59 MET CB . 15817 1 602 . 1 1 60 60 MET CG C 13 30.300 0.3 . 1 . . . . 59 MET CG . 15817 1 603 . 1 1 60 60 MET N N 15 116.900 0.3 . 1 . . . . 59 MET N . 15817 1 604 . 1 1 61 61 VAL H H 1 7.040 0.02 . 1 . . . . 60 VAL H . 15817 1 605 . 1 1 61 61 VAL HA H 1 4.423 0.02 . 1 . . . . 60 VAL HA . 15817 1 606 . 1 1 61 61 VAL HB H 1 1.804 0.02 . 1 . . . . 60 VAL HB . 15817 1 607 . 1 1 61 61 VAL HG11 H 1 0.620 0.02 . 2 . . . . 60 VAL HG11 . 15817 1 608 . 1 1 61 61 VAL HG12 H 1 0.620 0.02 . 2 . . . . 60 VAL HG12 . 15817 1 609 . 1 1 61 61 VAL HG13 H 1 0.620 0.02 . 2 . . . . 60 VAL HG13 . 15817 1 610 . 1 1 61 61 VAL HG21 H 1 0.910 0.02 . 2 . . . . 60 VAL HG21 . 15817 1 611 . 1 1 61 61 VAL HG22 H 1 0.910 0.02 . 2 . . . . 60 VAL HG22 . 15817 1 612 . 1 1 61 61 VAL HG23 H 1 0.910 0.02 . 2 . . . . 60 VAL HG23 . 15817 1 613 . 1 1 61 61 VAL C C 13 176.300 0.3 . 1 . . . . 60 VAL C . 15817 1 614 . 1 1 61 61 VAL CA C 13 61.300 0.3 . 1 . . . . 60 VAL CA . 15817 1 615 . 1 1 61 61 VAL CB C 13 33.400 0.3 . 1 . . . . 60 VAL CB . 15817 1 616 . 1 1 61 61 VAL CG1 C 13 21.300 0.3 . 2 . . . . 60 VAL CG1 . 15817 1 617 . 1 1 61 61 VAL CG2 C 13 22.100 0.3 . 2 . . . . 60 VAL CG2 . 15817 1 618 . 1 1 61 61 VAL N N 15 117.400 0.3 . 1 . . . . 60 VAL N . 15817 1 619 . 1 1 62 62 LYS H H 1 9.080 0.02 . 1 . . . . 61 LYS H . 15817 1 620 . 1 1 62 62 LYS HA H 1 4.160 0.02 . 1 . . . . 61 LYS HA . 15817 1 621 . 1 1 62 62 LYS HD2 H 1 1.460 0.02 . 2 . . . . 61 LYS HD2 . 15817 1 622 . 1 1 62 62 LYS HD3 H 1 1.318 0.02 . 2 . . . . 61 LYS HD3 . 15817 1 623 . 1 1 62 62 LYS HE2 H 1 2.890 0.02 . 2 . . . . 61 LYS HE2 . 15817 1 624 . 1 1 62 62 LYS HE3 H 1 2.976 0.02 . 2 . . . . 61 LYS HE3 . 15817 1 625 . 1 1 62 62 LYS HG2 H 1 1.619 0.02 . 2 . . . . 61 LYS HG2 . 15817 1 626 . 1 1 62 62 LYS HG3 H 1 1.725 0.02 . 2 . . . . 61 LYS HG3 . 15817 1 627 . 1 1 62 62 LYS C C 13 177.600 0.3 . 1 . . . . 61 LYS C . 15817 1 628 . 1 1 62 62 LYS CA C 13 58.200 0.3 . 1 . . . . 61 LYS CA . 15817 1 629 . 1 1 62 62 LYS CB C 13 32.300 0.3 . 1 . . . . 61 LYS CB . 15817 1 630 . 1 1 62 62 LYS CD C 13 25.556 0.3 . 1 . . . . 61 LYS CD . 15817 1 631 . 1 1 62 62 LYS CE C 13 42.216 0.3 . 1 . . . . 61 LYS CE . 15817 1 632 . 1 1 62 62 LYS CG C 13 29.846 0.3 . 1 . . . . 61 LYS CG . 15817 1 633 . 1 1 62 62 LYS N N 15 129.700 0.3 . 1 . . . . 61 LYS N . 15817 1 634 . 1 1 63 63 GLY H H 1 8.950 0.02 . 1 . . . . 62 GLY H . 15817 1 635 . 1 1 63 63 GLY HA2 H 1 4.180 0.02 . 1 . . . . 62 GLY HA2 . 15817 1 636 . 1 1 63 63 GLY HA3 H 1 4.180 0.02 . 1 . . . . 62 GLY HA3 . 15817 1 637 . 1 1 63 63 GLY C C 13 175.800 0.3 . 1 . . . . 62 GLY C . 15817 1 638 . 1 1 63 63 GLY CA C 13 45.600 0.3 . 1 . . . . 62 GLY CA . 15817 1 639 . 1 1 63 63 GLY N N 15 113.200 0.3 . 1 . . . . 62 GLY N . 15817 1 640 . 1 1 64 64 TYR H H 1 7.740 0.02 . 1 . . . . 63 TYR H . 15817 1 641 . 1 1 64 64 TYR HA H 1 3.870 0.02 . 1 . . . . 63 TYR HA . 15817 1 642 . 1 1 64 64 TYR HB2 H 1 2.870 0.02 . 2 . . . . 63 TYR HB2 . 15817 1 643 . 1 1 64 64 TYR HB3 H 1 3.140 0.02 . 2 . . . . 63 TYR HB3 . 15817 1 644 . 1 1 64 64 TYR C C 13 176.300 0.3 . 1 . . . . 63 TYR C . 15817 1 645 . 1 1 64 64 TYR CA C 13 61.858 0.3 . 1 . . . . 63 TYR CA . 15817 1 646 . 1 1 64 64 TYR CB C 13 39.000 0.3 . 1 . . . . 63 TYR CB . 15817 1 647 . 1 1 64 64 TYR N N 15 121.700 0.3 . 1 . . . . 63 TYR N . 15817 1 648 . 1 1 65 65 ALA H H 1 8.270 0.02 . 1 . . . . 64 ALA H . 15817 1 649 . 1 1 65 65 ALA HA H 1 4.070 0.02 . 1 . . . . 64 ALA HA . 15817 1 650 . 1 1 65 65 ALA HB1 H 1 1.400 0.02 . 1 . . . . 64 ALA HB1 . 15817 1 651 . 1 1 65 65 ALA HB2 H 1 1.400 0.02 . 1 . . . . 64 ALA HB2 . 15817 1 652 . 1 1 65 65 ALA HB3 H 1 1.400 0.02 . 1 . . . . 64 ALA HB3 . 15817 1 653 . 1 1 65 65 ALA C C 13 177.300 0.3 . 1 . . . . 64 ALA C . 15817 1 654 . 1 1 65 65 ALA CA C 13 53.280 0.3 . 1 . . . . 64 ALA CA . 15817 1 655 . 1 1 65 65 ALA CB C 13 18.900 0.3 . 1 . . . . 64 ALA CB . 15817 1 656 . 1 1 65 65 ALA N N 15 122.500 0.3 . 1 . . . . 64 ALA N . 15817 1 657 . 1 1 66 66 ALA H H 1 7.500 0.02 . 1 . . . . 65 ALA H . 15817 1 658 . 1 1 66 66 ALA HA H 1 4.170 0.02 . 1 . . . . 65 ALA HA . 15817 1 659 . 1 1 66 66 ALA HB1 H 1 1.360 0.02 . 1 . . . . 65 ALA HB1 . 15817 1 660 . 1 1 66 66 ALA HB2 H 1 1.360 0.02 . 1 . . . . 65 ALA HB2 . 15817 1 661 . 1 1 66 66 ALA HB3 H 1 1.360 0.02 . 1 . . . . 65 ALA HB3 . 15817 1 662 . 1 1 66 66 ALA C C 13 178.200 0.3 . 1 . . . . 65 ALA C . 15817 1 663 . 1 1 66 66 ALA CA C 13 52.400 0.3 . 1 . . . . 65 ALA CA . 15817 1 664 . 1 1 66 66 ALA CB C 13 19.000 0.3 . 1 . . . . 65 ALA CB . 15817 1 665 . 1 1 66 66 ALA N N 15 119.500 0.3 . 1 . . . . 65 ALA N . 15817 1 666 . 1 1 67 67 LEU H H 1 7.650 0.02 . 1 . . . . 66 LEU H . 15817 1 667 . 1 1 67 67 LEU HA H 1 4.080 0.02 . 1 . . . . 66 LEU HA . 15817 1 668 . 1 1 67 67 LEU HB2 H 1 1.350 0.02 . 2 . . . . 66 LEU HB2 . 15817 1 669 . 1 1 67 67 LEU HB3 H 1 1.220 0.02 . 2 . . . . 66 LEU HB3 . 15817 1 670 . 1 1 67 67 LEU HD11 H 1 0.910 0.02 . 2 . . . . 66 LEU HD11 . 15817 1 671 . 1 1 67 67 LEU HD12 H 1 0.910 0.02 . 2 . . . . 66 LEU HD12 . 15817 1 672 . 1 1 67 67 LEU HD13 H 1 0.910 0.02 . 2 . . . . 66 LEU HD13 . 15817 1 673 . 1 1 67 67 LEU HD21 H 1 0.750 0.02 . 2 . . . . 66 LEU HD21 . 15817 1 674 . 1 1 67 67 LEU HD22 H 1 0.750 0.02 . 2 . . . . 66 LEU HD22 . 15817 1 675 . 1 1 67 67 LEU HD23 H 1 0.750 0.02 . 2 . . . . 66 LEU HD23 . 15817 1 676 . 1 1 67 67 LEU HG H 1 1.580 0.02 . 1 . . . . 66 LEU HG . 15817 1 677 . 1 1 67 67 LEU C C 13 177.300 0.3 . 1 . . . . 66 LEU C . 15817 1 678 . 1 1 67 67 LEU CA C 13 55.300 0.3 . 1 . . . . 66 LEU CA . 15817 1 679 . 1 1 67 67 LEU CB C 13 41.900 0.3 . 1 . . . . 66 LEU CB . 15817 1 680 . 1 1 67 67 LEU CD1 C 13 24.800 0.3 . 2 . . . . 66 LEU CD1 . 15817 1 681 . 1 1 67 67 LEU CD2 C 13 23.200 0.3 . 2 . . . . 66 LEU CD2 . 15817 1 682 . 1 1 67 67 LEU CG C 13 26.900 0.3 . 1 . . . . 66 LEU CG . 15817 1 683 . 1 1 67 67 LEU N N 15 120.000 0.3 . 1 . . . . 66 LEU N . 15817 1 684 . 1 1 68 68 GLU H H 1 8.150 0.02 . 1 . . . . 67 GLU H . 15817 1 685 . 1 1 68 68 GLU HA H 1 4.050 0.02 . 1 . . . . 67 GLU HA . 15817 1 686 . 1 1 68 68 GLU HG2 H 1 2.090 0.02 . 2 . . . . 67 GLU HG2 . 15817 1 687 . 1 1 68 68 GLU HG3 H 1 2.190 0.02 . 2 . . . . 67 GLU HG3 . 15817 1 688 . 1 1 68 68 GLU CA C 13 56.700 0.3 . 1 . . . . 67 GLU CA . 15817 1 689 . 1 1 68 68 GLU CB C 13 30.200 0.3 . 1 . . . . 67 GLU CB . 15817 1 690 . 1 1 68 68 GLU CG C 13 36.200 0.3 . 1 . . . . 67 GLU CG . 15817 1 691 . 1 1 68 68 GLU N N 15 121.100 0.3 . 1 . . . . 67 GLU N . 15817 1 stop_ save_