################################### # 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_shift_set_25_major_isoform _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_25_major_isoform _Assigned_chem_shift_list.Entry_ID 4870 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; 23 ELPL fragment of minor conformational species exhibiting cis Leu-Pro peptide bond has been additionally assigned. M1 is deleted in the expression system and in consequence at low pH G2 is protonated and exhibits unusual chemical shifts of N. Arginine, Leucine and Glutamine in fragments 34LR, 54RMR, 67LEE, 78RER, 81RQ, 89LR, 92LR, 99EV, 101LR are ambiguously placed in the sequence. The most probable assignment is given, but in most cases L,R,E assignment could be flopped. ; _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' 1 $sample_1 . 4870 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 4870 1 3 '3D C(CO)NH' 1 $sample_1 . 4870 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 4870 1 5 '3D CBCANH' 1 $sample_1 . 4870 1 6 '3D HNCO' 1 $sample_1 . 4870 1 7 '3D (HCA)CO(CA)NH' 1 $sample_1 . 4870 1 8 '2D J-MODULATED 1H-15N HSQC' 1 $sample_1 . 4870 1 9 '2D H(N)CO' 1 $sample_1 . 4870 1 10 '3D HA(CO)NH' 1 $sample_1 . 4870 1 11 '3D H(CO)NH' 1 $sample_1 . 4870 1 12 '3D 1H-1H-15N NOESY' 1 $sample_1 . 4870 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 1 1 GLY N N 15 129.3 0.2 . 1 . . . . . . . . 4870 1 2 . 1 1 1 1 GLY H H 1 6.74 0.02 . 1 . . . . . . . . 4870 1 3 . 1 1 1 1 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 4870 1 4 . 1 1 1 1 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 4870 1 5 . 1 1 1 1 GLY HA3 H 1 3.89 0.02 . 2 . . . . . . . . 4870 1 6 . 1 1 1 1 GLY C C 13 176.7 0.2 . 1 . . . . . . . . 4870 1 7 . 1 1 2 2 SER N N 15 115.2 0.2 . 1 . . . . . . . . 4870 1 8 . 1 1 2 2 SER H H 1 8.35 0.02 . 1 . . . . . . . . 4870 1 9 . 1 1 2 2 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 4870 1 10 . 1 1 2 2 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 4870 1 11 . 1 1 2 2 SER CB C 13 63.3 0.2 . 1 . . . . . . . . 4870 1 12 . 1 1 2 2 SER HB2 H 1 3.89 0.02 . 1 . . . . . . . . 4870 1 13 . 1 1 2 2 SER HB3 H 1 3.89 0.02 . 1 . . . . . . . . 4870 1 14 . 1 1 2 2 SER C C 13 175.4 0.2 . 1 . . . . . . . . 4870 1 15 . 1 1 3 3 SER N N 15 117.0 0.2 . 1 . . . . . . . . 4870 1 16 . 1 1 3 3 SER H H 1 8.30 0.02 . 1 . . . . . . . . 4870 1 17 . 1 1 3 3 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 4870 1 18 . 1 1 3 3 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 4870 1 19 . 1 1 3 3 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 4870 1 20 . 1 1 3 3 SER HB2 H 1 3.82 0.02 . 1 . . . . . . . . 4870 1 21 . 1 1 3 3 SER HB3 H 1 3.82 0.02 . 1 . . . . . . . . 4870 1 22 . 1 1 3 3 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4870 1 23 . 1 1 4 4 HIS N N 15 119.2 0.2 . 1 . . . . . . . . 4870 1 24 . 1 1 4 4 HIS H H 1 8.28 0.02 . 1 . . . . . . . . 4870 1 25 . 1 1 4 4 HIS CA C 13 54.7 0.2 . 1 . . . . . . . . 4870 1 26 . 1 1 4 4 HIS HA H 1 4.67 0.02 . 1 . . . . . . . . 4870 1 27 . 1 1 4 4 HIS CB C 13 28.7 0.2 . 1 . . . . . . . . 4870 1 28 . 1 1 4 4 HIS HB2 H 1 3.28 0.02 . 2 . . . . . . . . 4870 1 29 . 1 1 4 4 HIS HB3 H 1 3.15 0.02 . 2 . . . . . . . . 4870 1 30 . 1 1 4 4 HIS C C 13 174.4 0.2 . 1 . . . . . . . . 4870 1 31 . 1 1 5 5 HIS N N 15 119.6 0.2 . 1 . . . . . . . . 4870 1 32 . 1 1 5 5 HIS H H 1 8.59 0.02 . 1 . . . . . . . . 4870 1 33 . 1 1 5 5 HIS CA C 13 54.8 0.2 . 1 . . . . . . . . 4870 1 34 . 1 1 5 5 HIS HA H 1 4.64 0.02 . 1 . . . . . . . . 4870 1 35 . 1 1 5 5 HIS CB C 13 28.2 0.2 . 1 . . . . . . . . 4870 1 36 . 1 1 5 5 HIS HB2 H 1 3.28 0.02 . 2 . . . . . . . . 4870 1 37 . 1 1 5 5 HIS HB3 H 1 3.08 0.02 . 2 . . . . . . . . 4870 1 38 . 1 1 5 5 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 4870 1 39 . 1 1 6 6 HIS N N 15 118.4 0.2 . 1 . . . . . . . . 4870 1 40 . 1 1 6 6 HIS H H 1 8.34 0.02 . 1 . . . . . . . . 4870 1 41 . 1 1 6 6 HIS CA C 13 54.7 0.2 . 1 . . . . . . . . 4870 1 42 . 1 1 6 6 HIS HA H 1 4.70 0.02 . 1 . . . . . . . . 4870 1 43 . 1 1 6 6 HIS CB C 13 28.9 0.2 . 1 . . . . . . . . 4870 1 44 . 1 1 6 6 HIS HB2 H 1 3.19 0.02 . 1 . . . . . . . . 4870 1 45 . 1 1 6 6 HIS HB3 H 1 3.19 0.02 . 1 . . . . . . . . 4870 1 46 . 1 1 6 6 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 4870 1 47 . 1 1 7 7 HIS N N 15 120.3 0.2 . 1 . . . . . . . . 4870 1 48 . 1 1 7 7 HIS H H 1 8.71 0.02 . 1 . . . . . . . . 4870 1 49 . 1 1 7 7 HIS CA C 13 54.8 0.2 . 1 . . . . . . . . 4870 1 50 . 1 1 7 7 HIS HA H 1 4.70 0.02 . 1 . . . . . . . . 4870 1 51 . 1 1 7 7 HIS CB C 13 29.0 0.2 . 1 . . . . . . . . 4870 1 52 . 1 1 7 7 HIS HB2 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 53 . 1 1 7 7 HIS HB3 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 54 . 1 1 7 7 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 4870 1 55 . 1 1 8 8 HIS N N 15 121.0 0.2 . 1 . . . . . . . . 4870 1 56 . 1 1 8 8 HIS H H 1 8.73 0.02 . 1 . . . . . . . . 4870 1 57 . 1 1 8 8 HIS CA C 13 55.2 0.2 . 1 . . . . . . . . 4870 1 58 . 1 1 8 8 HIS HA H 1 4.69 0.02 . 1 . . . . . . . . 4870 1 59 . 1 1 8 8 HIS CB C 13 29.1 0.2 . 1 . . . . . . . . 4870 1 60 . 1 1 8 8 HIS HB2 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 61 . 1 1 8 8 HIS HB3 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 62 . 1 1 8 8 HIS C C 13 174.1 0.2 . 1 . . . . . . . . 4870 1 63 . 1 1 9 9 HIS N N 15 121.8 0.2 . 1 . . . . . . . . 4870 1 64 . 1 1 9 9 HIS H H 1 8.71 0.02 . 1 . . . . . . . . 4870 1 65 . 1 1 9 9 HIS CA C 13 54.9 0.2 . 1 . . . . . . . . 4870 1 66 . 1 1 9 9 HIS HA H 1 4.72 0.02 . 1 . . . . . . . . 4870 1 67 . 1 1 9 9 HIS CB C 13 29.0 0.2 . 1 . . . . . . . . 4870 1 68 . 1 1 9 9 HIS HB2 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 69 . 1 1 9 9 HIS HB3 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 70 . 1 1 9 9 HIS C C 13 174.2 0.2 . 1 . . . . . . . . 4870 1 71 . 1 1 10 10 SER N N 15 119.0 0.2 . 1 . . . . . . . . 4870 1 72 . 1 1 10 10 SER H H 1 8.52 0.02 . 1 . . . . . . . . 4870 1 73 . 1 1 10 10 SER CA C 13 57.6 0.2 . 1 . . . . . . . . 4870 1 74 . 1 1 10 10 SER HA H 1 4.52 0.02 . 1 . . . . . . . . 4870 1 75 . 1 1 10 10 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 4870 1 76 . 1 1 10 10 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 4870 1 77 . 1 1 10 10 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 4870 1 78 . 1 1 10 10 SER C C 13 174.5 0.2 . 1 . . . . . . . . 4870 1 79 . 1 1 11 11 SER N N 15 118.5 0.2 . 1 . . . . . . . . 4870 1 80 . 1 1 11 11 SER H H 1 8.54 0.02 . 1 . . . . . . . . 4870 1 81 . 1 1 11 11 SER CA C 13 58.2 0.2 . 1 . . . . . . . . 4870 1 82 . 1 1 11 11 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 4870 1 83 . 1 1 11 11 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 4870 1 84 . 1 1 11 11 SER HB2 H 1 3.93 0.02 . 1 . . . . . . . . 4870 1 85 . 1 1 11 11 SER HB3 H 1 3.93 0.02 . 1 . . . . . . . . 4870 1 86 . 1 1 11 11 SER C C 13 175.0 0.2 . 1 . . . . . . . . 4870 1 87 . 1 1 12 12 GLY N N 15 110.7 0.2 . 1 . . . . . . . . 4870 1 88 . 1 1 12 12 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 4870 1 89 . 1 1 12 12 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 4870 1 90 . 1 1 12 12 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 4870 1 91 . 1 1 12 12 GLY HA3 H 1 3.99 0.02 . 1 . . . . . . . . 4870 1 92 . 1 1 12 12 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 4870 1 93 . 1 1 13 13 LEU N N 15 122.0 0.2 . 1 . . . . . . . . 4870 1 94 . 1 1 13 13 LEU H H 1 8.11 0.02 . 1 . . . . . . . . 4870 1 95 . 1 1 13 13 LEU CA C 13 54.7 0.2 . 1 . . . . . . . . 4870 1 96 . 1 1 13 13 LEU HA H 1 4.39 0.02 . 1 . . . . . . . . 4870 1 97 . 1 1 13 13 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4870 1 98 . 1 1 13 13 LEU HB2 H 1 1.64 0.02 . 1 . . . . . . . . 4870 1 99 . 1 1 13 13 LEU HB3 H 1 1.64 0.02 . 1 . . . . . . . . 4870 1 100 . 1 1 13 13 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 101 . 1 1 13 13 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 4870 1 102 . 1 1 13 13 LEU CD1 C 13 23.9 0.2 . 1 . . . . . . . . 4870 1 103 . 1 1 13 13 LEU HD11 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 104 . 1 1 13 13 LEU HD12 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 105 . 1 1 13 13 LEU HD13 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 106 . 1 1 13 13 LEU HD21 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 107 . 1 1 13 13 LEU HD22 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 108 . 1 1 13 13 LEU HD23 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 109 . 1 1 13 13 LEU C C 13 177.4 0.2 . 1 . . . . . . . . 4870 1 110 . 1 1 14 14 VAL N N 15 123.7 0.2 . 1 . . . . . . . . 4870 1 111 . 1 1 14 14 VAL H H 1 8.20 0.02 . 1 . . . . . . . . 4870 1 112 . 1 1 14 14 VAL CA C 13 59.7 0.2 . 1 . . . . . . . . 4870 1 113 . 1 1 14 14 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 4870 1 114 . 1 1 14 14 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 115 . 1 1 14 14 VAL C C 13 174.6 0.2 . 1 . . . . . . . . 4870 1 116 . 1 1 15 15 PRO CD C 13 50.8 0.2 . 1 . . . . . . . . 4870 1 117 . 1 1 15 15 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 4870 1 118 . 1 1 15 15 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 4870 1 119 . 1 1 15 15 PRO CB C 13 31.7 0.2 . 1 . . . . . . . . 4870 1 120 . 1 1 15 15 PRO HB2 H 1 2.34 0.02 . 1 . . . . . . . . 4870 1 121 . 1 1 15 15 PRO HB3 H 1 2.34 0.02 . 1 . . . . . . . . 4870 1 122 . 1 1 15 15 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 4870 1 123 . 1 1 15 15 PRO HG2 H 1 2.01 0.02 . 1 . . . . . . . . 4870 1 124 . 1 1 15 15 PRO HG3 H 1 2.01 0.02 . 1 . . . . . . . . 4870 1 125 . 1 1 15 15 PRO HD2 H 1 3.92 0.02 . 2 . . . . . . . . 4870 1 126 . 1 1 15 15 PRO HD3 H 1 3.67 0.02 . 2 . . . . . . . . 4870 1 127 . 1 1 15 15 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 128 . 1 1 16 16 ARG N N 15 122.1 0.2 . 1 . . . . . . . . 4870 1 129 . 1 1 16 16 ARG H H 1 8.46 0.02 . 1 . . . . . . . . 4870 1 130 . 1 1 16 16 ARG CA C 13 55.9 0.2 . 1 . . . . . . . . 4870 1 131 . 1 1 16 16 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 4870 1 132 . 1 1 16 16 ARG CB C 13 30.7 0.2 . 1 . . . . . . . . 4870 1 133 . 1 1 16 16 ARG HB2 H 1 1.93 0.02 . 1 . . . . . . . . 4870 1 134 . 1 1 16 16 ARG HB3 H 1 1.93 0.02 . 1 . . . . . . . . 4870 1 135 . 1 1 16 16 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4870 1 136 . 1 1 16 16 ARG HG2 H 1 1.76 0.02 . 1 . . . . . . . . 4870 1 137 . 1 1 16 16 ARG HG3 H 1 1.76 0.02 . 1 . . . . . . . . 4870 1 138 . 1 1 16 16 ARG CD C 13 43.0 0.2 . 1 . . . . . . . . 4870 1 139 . 1 1 16 16 ARG HD2 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 140 . 1 1 16 16 ARG HD3 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 141 . 1 1 16 16 ARG C C 13 177.2 0.2 . 1 . . . . . . . . 4870 1 142 . 1 1 17 17 GLY N N 15 110.4 0.2 . 1 . . . . . . . . 4870 1 143 . 1 1 17 17 GLY H H 1 8.44 0.02 . 1 . . . . . . . . 4870 1 144 . 1 1 17 17 GLY CA C 13 44.8 0.2 . 1 . . . . . . . . 4870 1 145 . 1 1 17 17 GLY HA2 H 1 4.00 0.02 . 1 . . . . . . . . 4870 1 146 . 1 1 17 17 GLY HA3 H 1 4.00 0.02 . 1 . . . . . . . . 4870 1 147 . 1 1 17 17 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 4870 1 148 . 1 1 18 18 SER N N 15 115.4 0.2 . 1 . . . . . . . . 4870 1 149 . 1 1 18 18 SER H H 1 8.18 0.02 . 1 . . . . . . . . 4870 1 150 . 1 1 18 18 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 4870 1 151 . 1 1 18 18 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 4870 1 152 . 1 1 18 18 SER CB C 13 63.5 0.2 . 1 . . . . . . . . 4870 1 153 . 1 1 18 18 SER HB2 H 1 3.84 0.02 . 1 . . . . . . . . 4870 1 154 . 1 1 18 18 SER HB3 H 1 3.84 0.02 . 1 . . . . . . . . 4870 1 155 . 1 1 18 18 SER C C 13 174.7 0.2 . 1 . . . . . . . . 4870 1 156 . 1 1 19 19 HIS N N 15 120.3 0.2 . 1 . . . . . . . . 4870 1 157 . 1 1 19 19 HIS H H 1 8.59 0.02 . 1 . . . . . . . . 4870 1 158 . 1 1 19 19 HIS CA C 13 54.8 0.2 . 1 . . . . . . . . 4870 1 159 . 1 1 19 19 HIS HA H 1 4.72 0.02 . 1 . . . . . . . . 4870 1 160 . 1 1 19 19 HIS CB C 13 28.5 0.2 . 1 . . . . . . . . 4870 1 161 . 1 1 19 19 HIS HB2 H 1 3.33 0.02 . 2 . . . . . . . . 4870 1 162 . 1 1 19 19 HIS HB3 H 1 3.21 0.02 . 2 . . . . . . . . 4870 1 163 . 1 1 19 19 HIS C C 13 174.4 0.2 . 1 . . . . . . . . 4870 1 164 . 1 1 20 20 MET N N 15 121.5 0.2 . 1 . . . . . . . . 4870 1 165 . 1 1 20 20 MET H H 1 8.34 0.02 . 1 . . . . . . . . 4870 1 166 . 1 1 20 20 MET CA C 13 55.4 0.2 . 1 . . . . . . . . 4870 1 167 . 1 1 20 20 MET HA H 1 4.44 0.02 . 1 . . . . . . . . 4870 1 168 . 1 1 20 20 MET CB C 13 32.6 0.2 . 1 . . . . . . . . 4870 1 169 . 1 1 20 20 MET CG C 13 31.7 0.2 . 1 . . . . . . . . 4870 1 170 . 1 1 20 20 MET HG2 H 1 2.57 0.02 . 1 . . . . . . . . 4870 1 171 . 1 1 20 20 MET HG3 H 1 2.57 0.02 . 1 . . . . . . . . 4870 1 172 . 1 1 20 20 MET C C 13 175.9 0.2 . 1 . . . . . . . . 4870 1 173 . 1 1 21 21 LEU N N 15 123.7 0.2 . 1 . . . . . . . . 4870 1 174 . 1 1 21 21 LEU H H 1 8.28 0.02 . 1 . . . . . . . . 4870 1 175 . 1 1 21 21 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 4870 1 176 . 1 1 21 21 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 4870 1 177 . 1 1 21 21 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4870 1 178 . 1 1 21 21 LEU HB2 H 1 1.66 0.02 . 1 . . . . . . . . 4870 1 179 . 1 1 21 21 LEU HB3 H 1 1.66 0.02 . 1 . . . . . . . . 4870 1 180 . 1 1 21 21 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 181 . 1 1 21 21 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 4870 1 182 . 1 1 21 21 LEU CD1 C 13 24.2 0.2 . 1 . . . . . . . . 4870 1 183 . 1 1 21 21 LEU HD11 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 184 . 1 1 21 21 LEU HD12 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 185 . 1 1 21 21 LEU HD13 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 186 . 1 1 21 21 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 187 . 1 1 21 21 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 188 . 1 1 21 21 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 189 . 1 1 21 21 LEU C C 13 176.9 0.2 . 1 . . . . . . . . 4870 1 190 . 1 1 22 22 GLU N N 15 121.7 0.2 . 1 . . . . . . . . 4870 1 191 . 1 1 22 22 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 4870 1 192 . 1 1 22 22 GLU CA C 13 54.9 0.2 . 1 . . . . . . . . 4870 1 193 . 1 1 22 22 GLU HA H 1 4.41 0.02 . 1 . . . . . . . . 4870 1 194 . 1 1 22 22 GLU CB C 13 28.6 0.2 . 1 . . . . . . . . 4870 1 195 . 1 1 22 22 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 196 . 1 1 22 22 GLU HB3 H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 197 . 1 1 22 22 GLU CG C 13 32.5 0.2 . 1 . . . . . . . . 4870 1 198 . 1 1 22 22 GLU HG2 H 1 2.46 0.02 . 1 . . . . . . . . 4870 1 199 . 1 1 22 22 GLU HG3 H 1 2.46 0.02 . 1 . . . . . . . . 4870 1 200 . 1 1 22 22 GLU C C 13 175.5 0.2 . 1 . . . . . . . . 4870 1 201 . 1 1 23 23 LEU N N 15 125.2 0.2 . 1 . . . . . . . . 4870 1 202 . 1 1 23 23 LEU H H 1 8.23 0.02 . 1 . . . . . . . . 4870 1 203 . 1 1 23 23 LEU CA C 13 52.4 0.2 . 1 . . . . . . . . 4870 1 204 . 1 1 23 23 LEU HA H 1 4.61 0.02 . 1 . . . . . . . . 4870 1 205 . 1 1 23 23 LEU CB C 13 41.6 0.2 . 1 . . . . . . . . 4870 1 206 . 1 1 23 23 LEU C C 13 175.3 0.2 . 1 . . . . . . . . 4870 1 207 . 1 1 24 24 PRO CD C 13 50.2 0.2 . 1 . . . . . . . . 4870 1 208 . 1 1 24 24 PRO CA C 13 62.6 0.2 . 1 . . . . . . . . 4870 1 209 . 1 1 24 24 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 4870 1 210 . 1 1 24 24 PRO CB C 13 31.7 0.2 . 1 . . . . . . . . 4870 1 211 . 1 1 24 24 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 4870 1 212 . 1 1 24 24 PRO HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4870 1 213 . 1 1 24 24 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 4870 1 214 . 1 1 24 24 PRO HG2 H 1 2.08 0.02 . 1 . . . . . . . . 4870 1 215 . 1 1 24 24 PRO HG3 H 1 2.08 0.02 . 1 . . . . . . . . 4870 1 216 . 1 1 24 24 PRO HD2 H 1 3.86 0.02 . 1 . . . . . . . . 4870 1 217 . 1 1 24 24 PRO HD3 H 1 3.86 0.02 . 1 . . . . . . . . 4870 1 218 . 1 1 24 24 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 219 . 1 1 25 25 LEU N N 15 122.3 0.2 . 1 . . . . . . . . 4870 1 220 . 1 1 25 25 LEU H H 1 8.29 0.02 . 1 . . . . . . . . 4870 1 221 . 1 1 25 25 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 4870 1 222 . 1 1 25 25 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 4870 1 223 . 1 1 25 25 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 4870 1 224 . 1 1 25 25 LEU HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4870 1 225 . 1 1 25 25 LEU HB3 H 1 1.71 0.02 . 1 . . . . . . . . 4870 1 226 . 1 1 25 25 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 227 . 1 1 25 25 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 4870 1 228 . 1 1 25 25 LEU CD1 C 13 24.0 0.2 . 1 . . . . . . . . 4870 1 229 . 1 1 25 25 LEU HD11 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 230 . 1 1 25 25 LEU HD12 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 231 . 1 1 25 25 LEU HD13 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 232 . 1 1 25 25 LEU HD21 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 233 . 1 1 25 25 LEU HD22 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 234 . 1 1 25 25 LEU HD23 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 235 . 1 1 25 25 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 4870 1 236 . 1 1 26 26 ASP N N 15 119.7 0.2 . 1 . . . . . . . . 4870 1 237 . 1 1 26 26 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 4870 1 238 . 1 1 26 26 ASP CA C 13 52.7 0.2 . 1 . . . . . . . . 4870 1 239 . 1 1 26 26 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 4870 1 240 . 1 1 26 26 ASP CB C 13 38.3 0.2 . 1 . . . . . . . . 4870 1 241 . 1 1 26 26 ASP HB2 H 1 2.97 0.02 . 2 . . . . . . . . 4870 1 242 . 1 1 26 26 ASP HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4870 1 243 . 1 1 26 26 ASP C C 13 175.6 0.2 . 1 . . . . . . . . 4870 1 244 . 1 1 27 27 SER N N 15 116.5 0.2 . 1 . . . . . . . . 4870 1 245 . 1 1 27 27 SER H H 1 8.23 0.02 . 1 . . . . . . . . 4870 1 246 . 1 1 27 27 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 4870 1 247 . 1 1 27 27 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 4870 1 248 . 1 1 27 27 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 4870 1 249 . 1 1 27 27 SER HB2 H 1 3.93 0.02 . 1 . . . . . . . . 4870 1 250 . 1 1 27 27 SER HB3 H 1 3.93 0.02 . 1 . . . . . . . . 4870 1 251 . 1 1 27 27 SER C C 13 174.7 0.2 . 1 . . . . . . . . 4870 1 252 . 1 1 28 28 ALA N N 15 125.6 0.2 . 1 . . . . . . . . 4870 1 253 . 1 1 28 28 ALA H H 1 8.30 0.02 . 1 . . . . . . . . 4870 1 254 . 1 1 28 28 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4870 1 255 . 1 1 28 28 ALA HA H 1 4.39 0.02 . 1 . . . . . . . . 4870 1 256 . 1 1 28 28 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 257 . 1 1 28 28 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 258 . 1 1 28 28 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 259 . 1 1 28 28 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4870 1 260 . 1 1 28 28 ALA C C 13 178.5 0.2 . 1 . . . . . . . . 4870 1 261 . 1 1 29 29 THR N N 15 112.7 0.2 . 1 . . . . . . . . 4870 1 262 . 1 1 29 29 THR H H 1 8.09 0.02 . 1 . . . . . . . . 4870 1 263 . 1 1 29 29 THR CA C 13 62.1 0.2 . 1 . . . . . . . . 4870 1 264 . 1 1 29 29 THR HA H 1 4.37 0.02 . 1 . . . . . . . . 4870 1 265 . 1 1 29 29 THR CB C 13 69.4 0.2 . 1 . . . . . . . . 4870 1 266 . 1 1 29 29 THR HB H 1 4.30 0.02 . 1 . . . . . . . . 4870 1 267 . 1 1 29 29 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 268 . 1 1 29 29 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 269 . 1 1 29 29 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 270 . 1 1 29 29 THR CG2 C 13 21.3 0.2 . 1 . . . . . . . . 4870 1 271 . 1 1 29 29 THR C C 13 175.4 0.2 . 1 . . . . . . . . 4870 1 272 . 1 1 30 30 THR N N 15 116.1 0.2 . 1 . . . . . . . . 4870 1 273 . 1 1 30 30 THR H H 1 8.06 0.02 . 1 . . . . . . . . 4870 1 274 . 1 1 30 30 THR CA C 13 62.5 0.2 . 1 . . . . . . . . 4870 1 275 . 1 1 30 30 THR HA H 1 4.29 0.02 . 1 . . . . . . . . 4870 1 276 . 1 1 30 30 THR CB C 13 69.2 0.2 . 1 . . . . . . . . 4870 1 277 . 1 1 30 30 THR HB H 1 4.35 0.02 . 1 . . . . . . . . 4870 1 278 . 1 1 30 30 THR HG21 H 1 1.30 0.02 . 1 . . . . . . . . 4870 1 279 . 1 1 30 30 THR HG22 H 1 1.30 0.02 . 1 . . . . . . . . 4870 1 280 . 1 1 30 30 THR HG23 H 1 1.30 0.02 . 1 . . . . . . . . 4870 1 281 . 1 1 30 30 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 4870 1 282 . 1 1 30 30 THR C C 13 175.3 0.2 . 1 . . . . . . . . 4870 1 283 . 1 1 31 31 GLU N N 15 122.3 0.2 . 1 . . . . . . . . 4870 1 284 . 1 1 31 31 GLU H H 1 8.32 0.02 . 1 . . . . . . . . 4870 1 285 . 1 1 31 31 GLU CA C 13 56.4 0.2 . 1 . . . . . . . . 4870 1 286 . 1 1 31 31 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 4870 1 287 . 1 1 31 31 GLU CB C 13 28.2 0.2 . 1 . . . . . . . . 4870 1 288 . 1 1 31 31 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4870 1 289 . 1 1 31 31 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4870 1 290 . 1 1 31 31 GLU CG C 13 32.6 0.2 . 1 . . . . . . . . 4870 1 291 . 1 1 31 31 GLU HG2 H 1 2.54 0.02 . 1 . . . . . . . . 4870 1 292 . 1 1 31 31 GLU HG3 H 1 2.54 0.02 . 1 . . . . . . . . 4870 1 293 . 1 1 31 31 GLU C C 13 176.8 0.2 . 1 . . . . . . . . 4870 1 294 . 1 1 32 32 SER N N 15 116.7 0.2 . 1 . . . . . . . . 4870 1 295 . 1 1 32 32 SER H H 1 8.25 0.02 . 1 . . . . . . . . 4870 1 296 . 1 1 32 32 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 4870 1 297 . 1 1 32 32 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 4870 1 298 . 1 1 32 32 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 4870 1 299 . 1 1 32 32 SER HB2 H 1 3.91 0.02 . 1 . . . . . . . . 4870 1 300 . 1 1 32 32 SER HB3 H 1 3.91 0.02 . 1 . . . . . . . . 4870 1 301 . 1 1 32 32 SER C C 13 175.2 0.2 . 1 . . . . . . . . 4870 1 302 . 1 1 33 33 LEU N N 15 123.9 0.2 . 1 . . . . . . . . 4870 1 303 . 1 1 33 33 LEU H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 304 . 1 1 33 33 LEU CA C 13 54.8 0.2 . 1 . . . . . . . . 4870 1 305 . 1 1 33 33 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 4870 1 306 . 1 1 33 33 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 4870 1 307 . 1 1 33 33 LEU HB2 H 1 1.73 0.02 . 1 . . . . . . . . 4870 1 308 . 1 1 33 33 LEU HB3 H 1 1.73 0.02 . 1 . . . . . . . . 4870 1 309 . 1 1 33 33 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 4870 1 310 . 1 1 33 33 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4870 1 311 . 1 1 33 33 LEU CD1 C 13 24.0 0.2 . 1 . . . . . . . . 4870 1 312 . 1 1 33 33 LEU HD11 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 313 . 1 1 33 33 LEU HD12 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 314 . 1 1 33 33 LEU HD13 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 315 . 1 1 33 33 LEU HD21 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 316 . 1 1 33 33 LEU HD22 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 317 . 1 1 33 33 LEU HD23 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 318 . 1 1 33 33 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 4870 1 319 . 1 1 34 34 ARG N N 15 121.1 0.2 . 1 . . . . . . . . 4870 1 320 . 1 1 34 34 ARG H H 1 8.07 0.02 . 1 . . . . . . . . 4870 1 321 . 1 1 34 34 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 322 . 1 1 34 34 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 323 . 1 1 34 34 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4870 1 324 . 1 1 34 34 ARG HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4870 1 325 . 1 1 34 34 ARG HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4870 1 326 . 1 1 34 34 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4870 1 327 . 1 1 34 34 ARG HG2 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 328 . 1 1 34 34 ARG HG3 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 329 . 1 1 34 34 ARG CD C 13 43.0 0.2 . 1 . . . . . . . . 4870 1 330 . 1 1 34 34 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 331 . 1 1 34 34 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 332 . 1 1 34 34 ARG C C 13 176.6 0.2 . 1 . . . . . . . . 4870 1 333 . 1 1 35 35 ALA N N 15 124.5 0.2 . 1 . . . . . . . . 4870 1 334 . 1 1 35 35 ALA H H 1 8.13 0.02 . 1 . . . . . . . . 4870 1 335 . 1 1 35 35 ALA CA C 13 52.4 0.2 . 1 . . . . . . . . 4870 1 336 . 1 1 35 35 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 337 . 1 1 35 35 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 4870 1 338 . 1 1 35 35 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4870 1 339 . 1 1 35 35 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4870 1 340 . 1 1 35 35 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4870 1 341 . 1 1 35 35 ALA C C 13 177.9 0.2 . 1 . . . . . . . . 4870 1 342 . 1 1 36 36 ALA N N 15 122.9 0.2 . 1 . . . . . . . . 4870 1 343 . 1 1 36 36 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 4870 1 344 . 1 1 36 36 ALA CA C 13 52.3 0.2 . 1 . . . . . . . . 4870 1 345 . 1 1 36 36 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 4870 1 346 . 1 1 36 36 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 4870 1 347 . 1 1 36 36 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 4870 1 348 . 1 1 36 36 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 4870 1 349 . 1 1 36 36 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4870 1 350 . 1 1 36 36 ALA C C 13 178.1 0.2 . 1 . . . . . . . . 4870 1 351 . 1 1 37 37 THR N N 15 112.4 0.2 . 1 . . . . . . . . 4870 1 352 . 1 1 37 37 THR H H 1 7.96 0.02 . 1 . . . . . . . . 4870 1 353 . 1 1 37 37 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 4870 1 354 . 1 1 37 37 THR HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 355 . 1 1 37 37 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 4870 1 356 . 1 1 37 37 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 4870 1 357 . 1 1 37 37 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 4870 1 358 . 1 1 37 37 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 4870 1 359 . 1 1 37 37 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 4870 1 360 . 1 1 37 37 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 4870 1 361 . 1 1 37 37 THR C C 13 174.7 0.2 . 1 . . . . . . . . 4870 1 362 . 1 1 38 38 HIS N N 15 120.0 0.2 . 1 . . . . . . . . 4870 1 363 . 1 1 38 38 HIS H H 1 8.42 0.02 . 1 . . . . . . . . 4870 1 364 . 1 1 38 38 HIS CA C 13 55.1 0.2 . 1 . . . . . . . . 4870 1 365 . 1 1 38 38 HIS HA H 1 4.69 0.02 . 1 . . . . . . . . 4870 1 366 . 1 1 38 38 HIS CB C 13 28.6 0.2 . 1 . . . . . . . . 4870 1 367 . 1 1 38 38 HIS HB2 H 1 3.33 0.02 . 2 . . . . . . . . 4870 1 368 . 1 1 38 38 HIS HB3 H 1 3.23 0.02 . 2 . . . . . . . . 4870 1 369 . 1 1 38 38 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 4870 1 370 . 1 1 39 39 ASP N N 15 120.7 0.2 . 1 . . . . . . . . 4870 1 371 . 1 1 39 39 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 4870 1 372 . 1 1 39 39 ASP CA C 13 53.1 0.2 . 1 . . . . . . . . 4870 1 373 . 1 1 39 39 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 4870 1 374 . 1 1 39 39 ASP CB C 13 38.5 0.2 . 1 . . . . . . . . 4870 1 375 . 1 1 39 39 ASP HB2 H 1 2.91 0.02 . 2 . . . . . . . . 4870 1 376 . 1 1 39 39 ASP HB3 H 1 2.81 0.02 . 2 . . . . . . . . 4870 1 377 . 1 1 39 39 ASP C C 13 175.7 0.2 . 1 . . . . . . . . 4870 1 378 . 1 1 40 40 VAL N N 15 121.2 0.2 . 1 . . . . . . . . 4870 1 379 . 1 1 40 40 VAL H H 1 8.15 0.02 . 1 . . . . . . . . 4870 1 380 . 1 1 40 40 VAL CA C 13 62.7 0.2 . 1 . . . . . . . . 4870 1 381 . 1 1 40 40 VAL HA H 1 4.07 0.02 . 1 . . . . . . . . 4870 1 382 . 1 1 40 40 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 4870 1 383 . 1 1 40 40 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 4870 1 384 . 1 1 40 40 VAL CG1 C 13 20.6 0.2 . 1 . . . . . . . . 4870 1 385 . 1 1 40 40 VAL HG11 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 386 . 1 1 40 40 VAL HG12 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 387 . 1 1 40 40 VAL HG13 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 388 . 1 1 40 40 VAL HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 389 . 1 1 40 40 VAL HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 390 . 1 1 40 40 VAL HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 391 . 1 1 40 40 VAL C C 13 176.5 0.2 . 1 . . . . . . . . 4870 1 392 . 1 1 41 41 LEU N N 15 124.5 0.2 . 1 . . . . . . . . 4870 1 393 . 1 1 41 41 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 4870 1 394 . 1 1 41 41 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 4870 1 395 . 1 1 41 41 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 4870 1 396 . 1 1 41 41 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 4870 1 397 . 1 1 41 41 LEU HB2 H 1 1.73 0.02 . 1 . . . . . . . . 4870 1 398 . 1 1 41 41 LEU HB3 H 1 1.73 0.02 . 1 . . . . . . . . 4870 1 399 . 1 1 41 41 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 4870 1 400 . 1 1 41 41 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4870 1 401 . 1 1 41 41 LEU CD1 C 13 24.7 0.2 . 1 . . . . . . . . 4870 1 402 . 1 1 41 41 LEU CD2 C 13 23.2 0.2 . 1 . . . . . . . . 4870 1 403 . 1 1 41 41 LEU HD11 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 404 . 1 1 41 41 LEU HD12 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 405 . 1 1 41 41 LEU HD13 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 406 . 1 1 41 41 LEU HD21 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 407 . 1 1 41 41 LEU HD22 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 408 . 1 1 41 41 LEU HD23 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 409 . 1 1 41 41 LEU C C 13 177.4 0.2 . 1 . . . . . . . . 4870 1 410 . 1 1 42 42 ALA N N 15 124.2 0.2 . 1 . . . . . . . . 4870 1 411 . 1 1 42 42 ALA H H 1 8.07 0.02 . 1 . . . . . . . . 4870 1 412 . 1 1 42 42 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4870 1 413 . 1 1 42 42 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 414 . 1 1 42 42 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 4870 1 415 . 1 1 42 42 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 4870 1 416 . 1 1 42 42 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 4870 1 417 . 1 1 42 42 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4870 1 418 . 1 1 42 42 ALA C C 13 178.5 0.2 . 1 . . . . . . . . 4870 1 419 . 1 1 43 43 GLY N N 15 107.6 0.2 . 1 . . . . . . . . 4870 1 420 . 1 1 43 43 GLY H H 1 8.26 0.02 . 1 . . . . . . . . 4870 1 421 . 1 1 43 43 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 4870 1 422 . 1 1 43 43 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . 4870 1 423 . 1 1 43 43 GLY HA3 H 1 3.97 0.02 . 1 . . . . . . . . 4870 1 424 . 1 1 43 43 GLY C C 13 174.7 0.2 . 1 . . . . . . . . 4870 1 425 . 1 1 44 44 LEU N N 15 121.7 0.2 . 1 . . . . . . . . 4870 1 426 . 1 1 44 44 LEU H H 1 7.97 0.02 . 1 . . . . . . . . 4870 1 427 . 1 1 44 44 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 4870 1 428 . 1 1 44 44 LEU HA H 1 4.40 0.02 . 1 . . . . . . . . 4870 1 429 . 1 1 44 44 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 4870 1 430 . 1 1 44 44 LEU HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4870 1 431 . 1 1 44 44 LEU HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4870 1 432 . 1 1 44 44 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 433 . 1 1 44 44 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 4870 1 434 . 1 1 44 44 LEU HD11 H 1 0.95 0.02 . 2 . . . . . . . . 4870 1 435 . 1 1 44 44 LEU HD12 H 1 0.95 0.02 . 2 . . . . . . . . 4870 1 436 . 1 1 44 44 LEU HD13 H 1 0.95 0.02 . 2 . . . . . . . . 4870 1 437 . 1 1 44 44 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 4870 1 438 . 1 1 44 44 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 4870 1 439 . 1 1 44 44 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 4870 1 440 . 1 1 44 44 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 4870 1 441 . 1 1 44 44 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4870 1 442 . 1 1 44 44 LEU C C 13 178.3 0.2 . 1 . . . . . . . . 4870 1 443 . 1 1 45 45 THR N N 15 113.8 0.2 . 1 . . . . . . . . 4870 1 444 . 1 1 45 45 THR H H 1 8.04 0.02 . 1 . . . . . . . . 4870 1 445 . 1 1 45 45 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 4870 1 446 . 1 1 45 45 THR HA H 1 4.30 0.02 . 1 . . . . . . . . 4870 1 447 . 1 1 45 45 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 4870 1 448 . 1 1 45 45 THR HB H 1 4.38 0.02 . 1 . . . . . . . . 4870 1 449 . 1 1 45 45 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 4870 1 450 . 1 1 45 45 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 4870 1 451 . 1 1 45 45 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 4870 1 452 . 1 1 45 45 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 4870 1 453 . 1 1 45 45 THR C C 13 175.3 0.2 . 1 . . . . . . . . 4870 1 454 . 1 1 46 46 ALA N N 15 125.0 0.2 . 1 . . . . . . . . 4870 1 455 . 1 1 46 46 ALA H H 1 8.34 0.02 . 1 . . . . . . . . 4870 1 456 . 1 1 46 46 ALA CA C 13 53.5 0.2 . 1 . . . . . . . . 4870 1 457 . 1 1 46 46 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 4870 1 458 . 1 1 46 46 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 459 . 1 1 46 46 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 460 . 1 1 46 46 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 461 . 1 1 46 46 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 4870 1 462 . 1 1 46 46 ALA C C 13 179.3 0.2 . 1 . . . . . . . . 4870 1 463 . 1 1 47 47 ARG N N 15 118.7 0.2 . 1 . . . . . . . . 4870 1 464 . 1 1 47 47 ARG H H 1 8.19 0.02 . 1 . . . . . . . . 4870 1 465 . 1 1 47 47 ARG CA C 13 57.3 0.2 . 1 . . . . . . . . 4870 1 466 . 1 1 47 47 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . 4870 1 467 . 1 1 47 47 ARG CB C 13 30.2 0.2 . 1 . . . . . . . . 4870 1 468 . 1 1 47 47 ARG HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4870 1 469 . 1 1 47 47 ARG HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4870 1 470 . 1 1 47 47 ARG CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 471 . 1 1 47 47 ARG HG2 H 1 1.69 0.02 . 1 . . . . . . . . 4870 1 472 . 1 1 47 47 ARG HG3 H 1 1.69 0.02 . 1 . . . . . . . . 4870 1 473 . 1 1 47 47 ARG CD C 13 43.1 0.2 . 1 . . . . . . . . 4870 1 474 . 1 1 47 47 ARG HD2 H 1 3.23 0.02 . 1 . . . . . . . . 4870 1 475 . 1 1 47 47 ARG HD3 H 1 3.23 0.02 . 1 . . . . . . . . 4870 1 476 . 1 1 47 47 ARG C C 13 177.6 0.2 . 1 . . . . . . . . 4870 1 477 . 1 1 48 48 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 4870 1 478 . 1 1 48 48 GLU H H 1 8.00 0.02 . 1 . . . . . . . . 4870 1 479 . 1 1 48 48 GLU CA C 13 56.6 0.2 . 1 . . . . . . . . 4870 1 480 . 1 1 48 48 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 4870 1 481 . 1 1 48 48 GLU CB C 13 28.4 0.2 . 1 . . . . . . . . 4870 1 482 . 1 1 48 48 GLU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 483 . 1 1 48 48 GLU HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 484 . 1 1 48 48 GLU CG C 13 33.0 0.2 . 1 . . . . . . . . 4870 1 485 . 1 1 48 48 GLU HG2 H 1 2.53 0.02 . 1 . . . . . . . . 4870 1 486 . 1 1 48 48 GLU HG3 H 1 2.53 0.02 . 1 . . . . . . . . 4870 1 487 . 1 1 48 48 GLU C C 13 177.1 0.2 . 1 . . . . . . . . 4870 1 488 . 1 1 49 49 ALA N N 15 123.5 0.2 . 1 . . . . . . . . 4870 1 489 . 1 1 49 49 ALA H H 1 8.31 0.02 . 1 . . . . . . . . 4870 1 490 . 1 1 49 49 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 4870 1 491 . 1 1 49 49 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 4870 1 492 . 1 1 49 49 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 4870 1 493 . 1 1 49 49 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 4870 1 494 . 1 1 49 49 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 4870 1 495 . 1 1 49 49 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 4870 1 496 . 1 1 49 49 ALA C C 13 178.6 0.2 . 1 . . . . . . . . 4870 1 497 . 1 1 50 50 LYS N N 15 119.4 0.2 . 1 . . . . . . . . 4870 1 498 . 1 1 50 50 LYS H H 1 7.98 0.02 . 1 . . . . . . . . 4870 1 499 . 1 1 50 50 LYS CA C 13 57.4 0.2 . 1 . . . . . . . . 4870 1 500 . 1 1 50 50 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 4870 1 501 . 1 1 50 50 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 4870 1 502 . 1 1 50 50 LYS HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4870 1 503 . 1 1 50 50 LYS HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4870 1 504 . 1 1 50 50 LYS CG C 13 24.6 0.2 . 1 . . . . . . . . 4870 1 505 . 1 1 50 50 LYS HG2 H 1 1.52 0.02 . 4 . . . . . . . . 4870 1 506 . 1 1 50 50 LYS HG3 H 1 1.52 0.02 . 4 . . . . . . . . 4870 1 507 . 1 1 50 50 LYS CD C 13 29.0 0.2 . 1 . . . . . . . . 4870 1 508 . 1 1 50 50 LYS HD2 H 1 1.75 0.02 . 4 . . . . . . . . 4870 1 509 . 1 1 50 50 LYS HD3 H 1 1.75 0.02 . 4 . . . . . . . . 4870 1 510 . 1 1 50 50 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 4870 1 511 . 1 1 50 50 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 4870 1 512 . 1 1 50 50 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 4870 1 513 . 1 1 50 50 LYS C C 13 177.6 0.2 . 1 . . . . . . . . 4870 1 514 . 1 1 51 51 VAL N N 15 120.2 0.2 . 1 . . . . . . . . 4870 1 515 . 1 1 51 51 VAL H H 1 7.86 0.02 . 1 . . . . . . . . 4870 1 516 . 1 1 51 51 VAL CA C 13 63.6 0.2 . 1 . . . . . . . . 4870 1 517 . 1 1 51 51 VAL HA H 1 3.96 0.02 . 1 . . . . . . . . 4870 1 518 . 1 1 51 51 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 4870 1 519 . 1 1 51 51 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4870 1 520 . 1 1 51 51 VAL CG1 C 13 20.8 0.2 . 1 . . . . . . . . 4870 1 521 . 1 1 51 51 VAL HG11 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 522 . 1 1 51 51 VAL HG12 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 523 . 1 1 51 51 VAL HG13 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 524 . 1 1 51 51 VAL HG21 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 525 . 1 1 51 51 VAL HG22 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 526 . 1 1 51 51 VAL HG23 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 527 . 1 1 51 51 VAL C C 13 177.2 0.2 . 1 . . . . . . . . 4870 1 528 . 1 1 52 52 LEU N N 15 123.6 0.2 . 1 . . . . . . . . 4870 1 529 . 1 1 52 52 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 4870 1 530 . 1 1 52 52 LEU CA C 13 56.0 0.2 . 1 . . . . . . . . 4870 1 531 . 1 1 52 52 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4870 1 532 . 1 1 52 52 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 4870 1 533 . 1 1 52 52 LEU HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4870 1 534 . 1 1 52 52 LEU HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4870 1 535 . 1 1 52 52 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4870 1 536 . 1 1 52 52 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 4870 1 537 . 1 1 52 52 LEU CD1 C 13 23.9 0.2 . 1 . . . . . . . . 4870 1 538 . 1 1 52 52 LEU HD11 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 539 . 1 1 52 52 LEU HD12 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 540 . 1 1 52 52 LEU HD13 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 541 . 1 1 52 52 LEU HD21 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 542 . 1 1 52 52 LEU HD22 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 543 . 1 1 52 52 LEU HD23 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 544 . 1 1 52 52 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 4870 1 545 . 1 1 53 53 ARG N N 15 120.0 0.2 . 1 . . . . . . . . 4870 1 546 . 1 1 53 53 ARG H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 547 . 1 1 53 53 ARG C C 13 176.5 0.2 . 1 . . . . . . . . 4870 1 548 . 1 1 54 54 MET N N 15 120.7 0.2 . 1 . . . . . . . . 4870 1 549 . 1 1 54 54 MET H H 1 8.13 0.02 . 1 . . . . . . . . 4870 1 550 . 1 1 54 54 MET CA C 13 55.8 0.2 . 1 . . . . . . . . 4870 1 551 . 1 1 54 54 MET HA H 1 4.34 0.02 . 1 . . . . . . . . 4870 1 552 . 1 1 54 54 MET CB C 13 32.0 0.2 . 1 . . . . . . . . 4870 1 553 . 1 1 54 54 MET CG C 13 31.9 0.2 . 1 . . . . . . . . 4870 1 554 . 1 1 54 54 MET HG2 H 1 2.60 0.02 . 1 . . . . . . . . 4870 1 555 . 1 1 54 54 MET HG3 H 1 2.60 0.02 . 1 . . . . . . . . 4870 1 556 . 1 1 54 54 MET C C 13 176.3 0.2 . 1 . . . . . . . . 4870 1 557 . 1 1 55 55 ARG N N 15 120.8 0.2 . 1 . . . . . . . . 4870 1 558 . 1 1 55 55 ARG H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 559 . 1 1 55 55 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . 4870 1 560 . 1 1 55 55 ARG HA H 1 4.22 0.02 . 1 . . . . . . . . 4870 1 561 . 1 1 55 55 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4870 1 562 . 1 1 55 55 ARG HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 563 . 1 1 55 55 ARG HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 564 . 1 1 55 55 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4870 1 565 . 1 1 55 55 ARG HG2 H 1 1.66 0.02 . 1 . . . . . . . . 4870 1 566 . 1 1 55 55 ARG HG3 H 1 1.66 0.02 . 1 . . . . . . . . 4870 1 567 . 1 1 55 55 ARG CD C 13 43.2 0.2 . 1 . . . . . . . . 4870 1 568 . 1 1 55 55 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 569 . 1 1 55 55 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 570 . 1 1 55 55 ARG C C 13 176.2 0.2 . 1 . . . . . . . . 4870 1 571 . 1 1 56 56 PHE N N 15 120.1 0.2 . 1 . . . . . . . . 4870 1 572 . 1 1 56 56 PHE H H 1 8.15 0.02 . 1 . . . . . . . . 4870 1 573 . 1 1 56 56 PHE CA C 13 57.5 0.2 . 1 . . . . . . . . 4870 1 574 . 1 1 56 56 PHE HA H 1 4.67 0.02 . 1 . . . . . . . . 4870 1 575 . 1 1 56 56 PHE CB C 13 39.5 0.2 . 1 . . . . . . . . 4870 1 576 . 1 1 56 56 PHE HB2 H 1 3.25 0.02 . 2 . . . . . . . . 4870 1 577 . 1 1 56 56 PHE HB3 H 1 3.04 0.02 . 2 . . . . . . . . 4870 1 578 . 1 1 56 56 PHE C C 13 176.3 0.2 . 1 . . . . . . . . 4870 1 579 . 1 1 57 57 GLY N N 15 110.1 0.2 . 1 . . . . . . . . 4870 1 580 . 1 1 57 57 GLY H H 1 8.17 0.02 . 1 . . . . . . . . 4870 1 581 . 1 1 57 57 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 4870 1 582 . 1 1 57 57 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 4870 1 583 . 1 1 57 57 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 4870 1 584 . 1 1 57 57 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 4870 1 585 . 1 1 58 58 ILE N N 15 119.2 0.2 . 1 . . . . . . . . 4870 1 586 . 1 1 58 58 ILE H H 1 7.88 0.02 . 1 . . . . . . . . 4870 1 587 . 1 1 58 58 ILE CA C 13 60.9 0.2 . 1 . . . . . . . . 4870 1 588 . 1 1 58 58 ILE HA H 1 4.18 0.02 . 1 . . . . . . . . 4870 1 589 . 1 1 58 58 ILE CB C 13 38.6 0.2 . 1 . . . . . . . . 4870 1 590 . 1 1 58 58 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . 4870 1 591 . 1 1 58 58 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 592 . 1 1 58 58 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 593 . 1 1 58 58 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 594 . 1 1 58 58 ILE CG2 C 13 17.2 0.2 . 1 . . . . . . . . 4870 1 595 . 1 1 58 58 ILE CG1 C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 596 . 1 1 58 58 ILE HG12 H 1 1.24 0.02 . 2 . . . . . . . . 4870 1 597 . 1 1 58 58 ILE HG13 H 1 1.50 0.02 . 2 . . . . . . . . 4870 1 598 . 1 1 58 58 ILE HD11 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 599 . 1 1 58 58 ILE HD12 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 600 . 1 1 58 58 ILE HD13 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 601 . 1 1 58 58 ILE CD1 C 13 12.7 0.2 . 1 . . . . . . . . 4870 1 602 . 1 1 58 58 ILE C C 13 176.0 0.2 . 1 . . . . . . . . 4870 1 603 . 1 1 59 59 ASP N N 15 122.3 0.2 . 1 . . . . . . . . 4870 1 604 . 1 1 59 59 ASP H H 1 8.51 0.02 . 1 . . . . . . . . 4870 1 605 . 1 1 59 59 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 4870 1 606 . 1 1 59 59 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 4870 1 607 . 1 1 59 59 ASP CB C 13 38.2 0.2 . 1 . . . . . . . . 4870 1 608 . 1 1 59 59 ASP HB2 H 1 2.99 0.02 . 2 . . . . . . . . 4870 1 609 . 1 1 59 59 ASP HB3 H 1 2.84 0.02 . 2 . . . . . . . . 4870 1 610 . 1 1 59 59 ASP C C 13 175.4 0.2 . 1 . . . . . . . . 4870 1 611 . 1 1 60 60 MET N N 15 120.9 0.2 . 1 . . . . . . . . 4870 1 612 . 1 1 60 60 MET H H 1 8.30 0.02 . 1 . . . . . . . . 4870 1 613 . 1 1 60 60 MET CA C 13 55.3 0.2 . 1 . . . . . . . . 4870 1 614 . 1 1 60 60 MET HA H 1 4.46 0.02 . 1 . . . . . . . . 4870 1 615 . 1 1 60 60 MET CB C 13 32.1 0.2 . 1 . . . . . . . . 4870 1 616 . 1 1 60 60 MET CG C 13 31.7 0.2 . 1 . . . . . . . . 4870 1 617 . 1 1 60 60 MET HG2 H 1 2.56 0.02 . 1 . . . . . . . . 4870 1 618 . 1 1 60 60 MET HG3 H 1 2.56 0.02 . 1 . . . . . . . . 4870 1 619 . 1 1 60 60 MET C C 13 176.1 0.2 . 1 . . . . . . . . 4870 1 620 . 1 1 61 61 ASN N N 15 119.2 0.2 . 1 . . . . . . . . 4870 1 621 . 1 1 61 61 ASN H H 1 8.36 0.02 . 1 . . . . . . . . 4870 1 622 . 1 1 61 61 ASN CA C 13 53.1 0.2 . 1 . . . . . . . . 4870 1 623 . 1 1 61 61 ASN HA H 1 4.72 0.02 . 1 . . . . . . . . 4870 1 624 . 1 1 61 61 ASN CB C 13 38.5 0.2 . 1 . . . . . . . . 4870 1 625 . 1 1 61 61 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4870 1 626 . 1 1 61 61 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 4870 1 627 . 1 1 61 61 ASN CG C 13 177.2 0.2 . 1 . . . . . . . . 4870 1 628 . 1 1 61 61 ASN ND2 N 15 112.6 0.2 . 1 . . . . . . . . 4870 1 629 . 1 1 61 61 ASN HD21 H 1 7.59 0.02 . 1 . . . . . . . . 4870 1 630 . 1 1 61 61 ASN HD22 H 1 6.91 0.02 . 1 . . . . . . . . 4870 1 631 . 1 1 61 61 ASN C C 13 175.7 0.2 . 1 . . . . . . . . 4870 1 632 . 1 1 62 62 THR N N 15 114.0 0.2 . 1 . . . . . . . . 4870 1 633 . 1 1 62 62 THR H H 1 8.02 0.02 . 1 . . . . . . . . 4870 1 634 . 1 1 62 62 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 4870 1 635 . 1 1 62 62 THR HA H 1 4.24 0.02 . 1 . . . . . . . . 4870 1 636 . 1 1 62 62 THR CB C 13 69.3 0.2 . 1 . . . . . . . . 4870 1 637 . 1 1 62 62 THR HB H 1 4.17 0.02 . 1 . . . . . . . . 4870 1 638 . 1 1 62 62 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 4870 1 639 . 1 1 62 62 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 4870 1 640 . 1 1 62 62 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 4870 1 641 . 1 1 62 62 THR CG2 C 13 21.1 0.2 . 1 . . . . . . . . 4870 1 642 . 1 1 62 62 THR C C 13 174.4 0.2 . 1 . . . . . . . . 4870 1 643 . 1 1 63 63 ASP N N 15 121.0 0.2 . 1 . . . . . . . . 4870 1 644 . 1 1 63 63 ASP H H 1 8.33 0.02 . 1 . . . . . . . . 4870 1 645 . 1 1 63 63 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 4870 1 646 . 1 1 63 63 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 4870 1 647 . 1 1 63 63 ASP CB C 13 38.0 0.2 . 1 . . . . . . . . 4870 1 648 . 1 1 63 63 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4870 1 649 . 1 1 63 63 ASP HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4870 1 650 . 1 1 63 63 ASP C C 13 175.5 0.2 . 1 . . . . . . . . 4870 1 651 . 1 1 64 64 TYR N N 15 121.0 0.2 . 1 . . . . . . . . 4870 1 652 . 1 1 64 64 TYR H H 1 8.05 0.02 . 1 . . . . . . . . 4870 1 653 . 1 1 64 64 TYR CA C 13 58.2 0.2 . 1 . . . . . . . . 4870 1 654 . 1 1 64 64 TYR HA H 1 4.57 0.02 . 1 . . . . . . . . 4870 1 655 . 1 1 64 64 TYR CB C 13 38.3 0.2 . 1 . . . . . . . . 4870 1 656 . 1 1 64 64 TYR HB2 H 1 3.11 0.02 . 2 . . . . . . . . 4870 1 657 . 1 1 64 64 TYR HB3 H 1 3.01 0.02 . 2 . . . . . . . . 4870 1 658 . 1 1 64 64 TYR C C 13 176.4 0.2 . 1 . . . . . . . . 4870 1 659 . 1 1 65 65 THR N N 15 114.9 0.2 . 1 . . . . . . . . 4870 1 660 . 1 1 65 65 THR H H 1 7.97 0.02 . 1 . . . . . . . . 4870 1 661 . 1 1 65 65 THR CA C 13 62.2 0.2 . 1 . . . . . . . . 4870 1 662 . 1 1 65 65 THR HA H 1 4.23 0.02 . 1 . . . . . . . . 4870 1 663 . 1 1 65 65 THR CB C 13 69.4 0.2 . 1 . . . . . . . . 4870 1 664 . 1 1 65 65 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 4870 1 665 . 1 1 65 65 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 4870 1 666 . 1 1 65 65 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 4870 1 667 . 1 1 65 65 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 4870 1 668 . 1 1 65 65 THR CG2 C 13 21.3 0.2 . 1 . . . . . . . . 4870 1 669 . 1 1 65 65 THR C C 13 174.9 0.2 . 1 . . . . . . . . 4870 1 670 . 1 1 66 66 LEU N N 15 123.1 0.2 . 1 . . . . . . . . 4870 1 671 . 1 1 66 66 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 4870 1 672 . 1 1 66 66 LEU CA C 13 55.7 0.2 . 1 . . . . . . . . 4870 1 673 . 1 1 66 66 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4870 1 674 . 1 1 66 66 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 4870 1 675 . 1 1 66 66 LEU HB2 H 1 1.77 0.02 . 1 . . . . . . . . 4870 1 676 . 1 1 66 66 LEU HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4870 1 677 . 1 1 66 66 LEU CG C 13 27.3 0.2 . 1 . . . . . . . . 4870 1 678 . 1 1 66 66 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 4870 1 679 . 1 1 66 66 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 680 . 1 1 66 66 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 681 . 1 1 66 66 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 682 . 1 1 66 66 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 4870 1 683 . 1 1 66 66 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 4870 1 684 . 1 1 66 66 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 4870 1 685 . 1 1 66 66 LEU CD1 C 13 25.0 0.2 . 1 . . . . . . . . 4870 1 686 . 1 1 66 66 LEU CD2 C 13 23.0 0.2 . 1 . . . . . . . . 4870 1 687 . 1 1 66 66 LEU C C 13 177.8 0.2 . 1 . . . . . . . . 4870 1 688 . 1 1 67 67 GLU N N 15 120.4 0.2 . 1 . . . . . . . . 4870 1 689 . 1 1 67 67 GLU H H 1 8.11 0.02 . 1 . . . . . . . . 4870 1 690 . 1 1 67 67 GLU CA C 13 56.1 0.2 . 1 . . . . . . . . 4870 1 691 . 1 1 67 67 GLU HA H 1 4.37 0.02 . 1 . . . . . . . . 4870 1 692 . 1 1 67 67 GLU CB C 13 28.4 0.2 . 1 . . . . . . . . 4870 1 693 . 1 1 67 67 GLU HB2 H 1 2.09 0.02 . 1 . . . . . . . . 4870 1 694 . 1 1 67 67 GLU HB3 H 1 2.09 0.02 . 1 . . . . . . . . 4870 1 695 . 1 1 67 67 GLU CG C 13 32.8 0.2 . 1 . . . . . . . . 4870 1 696 . 1 1 67 67 GLU HG2 H 1 2.49 0.02 . 1 . . . . . . . . 4870 1 697 . 1 1 67 67 GLU HG3 H 1 2.49 0.02 . 1 . . . . . . . . 4870 1 698 . 1 1 67 67 GLU C C 13 176.6 0.2 . 1 . . . . . . . . 4870 1 699 . 1 1 68 68 GLU N N 15 120.5 0.2 . 1 . . . . . . . . 4870 1 700 . 1 1 68 68 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 701 . 1 1 68 68 GLU CA C 13 55.6 0.2 . 1 . . . . . . . . 4870 1 702 . 1 1 68 68 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 4870 1 703 . 1 1 68 68 GLU CB C 13 28.5 0.2 . 1 . . . . . . . . 4870 1 704 . 1 1 68 68 GLU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 705 . 1 1 68 68 GLU HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 706 . 1 1 68 68 GLU CG C 13 32.7 0.2 . 1 . . . . . . . . 4870 1 707 . 1 1 68 68 GLU HG2 H 1 2.42 0.02 . 1 . . . . . . . . 4870 1 708 . 1 1 68 68 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 4870 1 709 . 1 1 68 68 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 4870 1 710 . 1 1 69 69 VAL N N 15 120.4 0.2 . 1 . . . . . . . . 4870 1 711 . 1 1 69 69 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 4870 1 712 . 1 1 69 69 VAL CA C 13 62.6 0.2 . 1 . . . . . . . . 4870 1 713 . 1 1 69 69 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 4870 1 714 . 1 1 69 69 VAL CB C 13 32.4 0.2 . 1 . . . . . . . . 4870 1 715 . 1 1 69 69 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4870 1 716 . 1 1 69 69 VAL CG1 C 13 20.6 0.2 . 1 . . . . . . . . 4870 1 717 . 1 1 69 69 VAL HG11 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 718 . 1 1 69 69 VAL HG12 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 719 . 1 1 69 69 VAL HG13 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 720 . 1 1 69 69 VAL HG21 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 721 . 1 1 69 69 VAL HG22 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 722 . 1 1 69 69 VAL HG23 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 723 . 1 1 69 69 VAL C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 724 . 1 1 70 70 GLY N N 15 111.6 0.2 . 1 . . . . . . . . 4870 1 725 . 1 1 70 70 GLY H H 1 8.38 0.02 . 1 . . . . . . . . 4870 1 726 . 1 1 70 70 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 4870 1 727 . 1 1 70 70 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 4870 1 728 . 1 1 70 70 GLY HA3 H 1 3.99 0.02 . 1 . . . . . . . . 4870 1 729 . 1 1 70 70 GLY C C 13 174.7 0.2 . 1 . . . . . . . . 4870 1 730 . 1 1 71 71 LYS N N 15 120.7 0.2 . 1 . . . . . . . . 4870 1 731 . 1 1 71 71 LYS H H 1 8.09 0.02 . 1 . . . . . . . . 4870 1 732 . 1 1 71 71 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 733 . 1 1 71 71 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 4870 1 734 . 1 1 71 71 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 4870 1 735 . 1 1 71 71 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 736 . 1 1 71 71 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 737 . 1 1 71 71 LYS CG C 13 24.5 0.2 . 1 . . . . . . . . 4870 1 738 . 1 1 71 71 LYS HG2 H 1 1.48 0.02 . 4 . . . . . . . . 4870 1 739 . 1 1 71 71 LYS HG3 H 1 1.48 0.02 . 4 . . . . . . . . 4870 1 740 . 1 1 71 71 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 4870 1 741 . 1 1 71 71 LYS HD2 H 1 1.81 0.02 . 4 . . . . . . . . 4870 1 742 . 1 1 71 71 LYS HD3 H 1 1.81 0.02 . 4 . . . . . . . . 4870 1 743 . 1 1 71 71 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 4870 1 744 . 1 1 71 71 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4870 1 745 . 1 1 71 71 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4870 1 746 . 1 1 71 71 LYS C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 747 . 1 1 72 72 GLN N N 15 120.1 0.2 . 1 . . . . . . . . 4870 1 748 . 1 1 72 72 GLN H H 1 8.33 0.02 . 1 . . . . . . . . 4870 1 749 . 1 1 72 72 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 4870 1 750 . 1 1 72 72 GLN HA H 1 4.24 0.02 . 1 . . . . . . . . 4870 1 751 . 1 1 72 72 GLN CB C 13 28.5 0.2 . 1 . . . . . . . . 4870 1 752 . 1 1 72 72 GLN HB2 H 1 2.00 0.02 . 1 . . . . . . . . 4870 1 753 . 1 1 72 72 GLN HB3 H 1 2.00 0.02 . 1 . . . . . . . . 4870 1 754 . 1 1 72 72 GLN CG C 13 33.4 0.2 . 1 . . . . . . . . 4870 1 755 . 1 1 72 72 GLN HG2 H 1 2.25 0.02 . 1 . . . . . . . . 4870 1 756 . 1 1 72 72 GLN HG3 H 1 2.25 0.02 . 1 . . . . . . . . 4870 1 757 . 1 1 72 72 GLN CD C 13 180.5 0.2 . 1 . . . . . . . . 4870 1 758 . 1 1 72 72 GLN NE2 N 15 111.9 0.2 . 1 . . . . . . . . 4870 1 759 . 1 1 72 72 GLN HE21 H 1 7.43 0.02 . 1 . . . . . . . . 4870 1 760 . 1 1 72 72 GLN HE22 H 1 6.84 0.02 . 1 . . . . . . . . 4870 1 761 . 1 1 72 72 GLN C C 13 176.1 0.2 . 1 . . . . . . . . 4870 1 762 . 1 1 73 73 PHE CA C 13 57.6 0.2 . 1 . . . . . . . . 4870 1 763 . 1 1 73 73 PHE HA H 1 4.59 0.02 . 1 . . . . . . . . 4870 1 764 . 1 1 73 73 PHE CB C 13 39.3 0.2 . 1 . . . . . . . . 4870 1 765 . 1 1 73 73 PHE HB2 H 1 3.17 0.02 . 2 . . . . . . . . 4870 1 766 . 1 1 73 73 PHE HB3 H 1 3.06 0.02 . 2 . . . . . . . . 4870 1 767 . 1 1 73 73 PHE C C 13 175.7 0.2 . 1 . . . . . . . . 4870 1 768 . 1 1 74 74 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 4870 1 769 . 1 1 74 74 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 4870 1 770 . 1 1 74 74 ASP CA C 13 53.5 0.2 . 1 . . . . . . . . 4870 1 771 . 1 1 74 74 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 4870 1 772 . 1 1 74 74 ASP CB C 13 38.7 0.2 . 1 . . . . . . . . 4870 1 773 . 1 1 74 74 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 4870 1 774 . 1 1 74 74 ASP HB3 H 1 2.81 0.02 . 2 . . . . . . . . 4870 1 775 . 1 1 74 74 ASP C C 13 176.0 0.2 . 1 . . . . . . . . 4870 1 776 . 1 1 75 75 VAL N N 15 120.7 0.2 . 1 . . . . . . . . 4870 1 777 . 1 1 75 75 VAL H H 1 8.10 0.02 . 1 . . . . . . . . 4870 1 778 . 1 1 75 75 VAL CA C 13 63.0 0.2 . 1 . . . . . . . . 4870 1 779 . 1 1 75 75 VAL HA H 1 4.07 0.02 . 1 . . . . . . . . 4870 1 780 . 1 1 75 75 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 4870 1 781 . 1 1 75 75 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 4870 1 782 . 1 1 75 75 VAL CG1 C 13 20.6 0.2 . 1 . . . . . . . . 4870 1 783 . 1 1 75 75 VAL HG11 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 784 . 1 1 75 75 VAL HG12 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 785 . 1 1 75 75 VAL HG13 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 786 . 1 1 75 75 VAL HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 787 . 1 1 75 75 VAL HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 788 . 1 1 75 75 VAL HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 789 . 1 1 75 75 VAL C C 13 177.1 0.2 . 1 . . . . . . . . 4870 1 790 . 1 1 76 76 THR N N 15 116.9 0.2 . 1 . . . . . . . . 4870 1 791 . 1 1 76 76 THR H H 1 8.10 0.02 . 1 . . . . . . . . 4870 1 792 . 1 1 76 76 THR CA C 13 63.2 0.2 . 1 . . . . . . . . 4870 1 793 . 1 1 76 76 THR HA H 1 4.23 0.02 . 1 . . . . . . . . 4870 1 794 . 1 1 76 76 THR CB C 13 69.3 0.2 . 1 . . . . . . . . 4870 1 795 . 1 1 76 76 THR HB H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 796 . 1 1 76 76 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 797 . 1 1 76 76 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 798 . 1 1 76 76 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 799 . 1 1 76 76 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 4870 1 800 . 1 1 76 76 THR C C 13 175.4 0.2 . 1 . . . . . . . . 4870 1 801 . 1 1 77 77 ARG N N 15 122.1 0.2 . 1 . . . . . . . . 4870 1 802 . 1 1 77 77 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 4870 1 803 . 1 1 77 77 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . 4870 1 804 . 1 1 77 77 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 4870 1 805 . 1 1 77 77 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4870 1 806 . 1 1 77 77 ARG HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4870 1 807 . 1 1 77 77 ARG HB3 H 1 1.91 0.02 . 1 . . . . . . . . 4870 1 808 . 1 1 77 77 ARG CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 809 . 1 1 77 77 ARG HG2 H 1 1.68 0.02 . 1 . . . . . . . . 4870 1 810 . 1 1 77 77 ARG HG3 H 1 1.68 0.02 . 1 . . . . . . . . 4870 1 811 . 1 1 77 77 ARG CD C 13 43.3 0.2 . 1 . . . . . . . . 4870 1 812 . 1 1 77 77 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 813 . 1 1 77 77 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 814 . 1 1 77 77 ARG C C 13 175.9 0.2 . 1 . . . . . . . . 4870 1 815 . 1 1 78 78 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 4870 1 816 . 1 1 78 78 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 817 . 1 1 78 78 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 4870 1 818 . 1 1 78 78 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 819 . 1 1 78 78 GLU CB C 13 28.3 0.2 . 1 . . . . . . . . 4870 1 820 . 1 1 78 78 GLU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 821 . 1 1 78 78 GLU HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 822 . 1 1 78 78 GLU CG C 13 33.0 0.2 . 1 . . . . . . . . 4870 1 823 . 1 1 78 78 GLU HG2 H 1 2.50 0.02 . 1 . . . . . . . . 4870 1 824 . 1 1 78 78 GLU HG3 H 1 2.50 0.02 . 1 . . . . . . . . 4870 1 825 . 1 1 78 78 GLU C C 13 176.5 0.2 . 1 . . . . . . . . 4870 1 826 . 1 1 79 79 ARG N N 15 121.5 0.2 . 1 . . . . . . . . 4870 1 827 . 1 1 79 79 ARG H H 1 8.22 0.02 . 1 . . . . . . . . 4870 1 828 . 1 1 79 79 ARG CA C 13 56.9 0.2 . 1 . . . . . . . . 4870 1 829 . 1 1 79 79 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 4870 1 830 . 1 1 79 79 ARG CB C 13 30.0 0.2 . 1 . . . . . . . . 4870 1 831 . 1 1 79 79 ARG HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4870 1 832 . 1 1 79 79 ARG HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4870 1 833 . 1 1 79 79 ARG CG C 13 27.0 0.2 . 1 . . . . . . . . 4870 1 834 . 1 1 79 79 ARG HG2 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 835 . 1 1 79 79 ARG HG3 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 836 . 1 1 79 79 ARG CD C 13 43.2 0.2 . 1 . . . . . . . . 4870 1 837 . 1 1 79 79 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 838 . 1 1 79 79 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 839 . 1 1 79 79 ARG C C 13 177.2 0.2 . 1 . . . . . . . . 4870 1 840 . 1 1 80 80 ILE N N 15 121.1 0.2 . 1 . . . . . . . . 4870 1 841 . 1 1 80 80 ILE H H 1 8.03 0.02 . 1 . . . . . . . . 4870 1 842 . 1 1 80 80 ILE CA C 13 62.0 0.2 . 1 . . . . . . . . 4870 1 843 . 1 1 80 80 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 4870 1 844 . 1 1 80 80 ILE CB C 13 38.1 0.2 . 1 . . . . . . . . 4870 1 845 . 1 1 80 80 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 4870 1 846 . 1 1 80 80 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 4870 1 847 . 1 1 80 80 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 4870 1 848 . 1 1 80 80 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 4870 1 849 . 1 1 80 80 ILE CG2 C 13 17.2 0.2 . 1 . . . . . . . . 4870 1 850 . 1 1 80 80 ILE CG1 C 13 27.3 0.2 . 1 . . . . . . . . 4870 1 851 . 1 1 80 80 ILE HG12 H 1 1.28 0.02 . 1 . . . . . . . . 4870 1 852 . 1 1 80 80 ILE HG13 H 1 1.28 0.02 . 1 . . . . . . . . 4870 1 853 . 1 1 80 80 ILE HD11 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 854 . 1 1 80 80 ILE HD12 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 855 . 1 1 80 80 ILE HD13 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 856 . 1 1 80 80 ILE CD1 C 13 12.5 0.2 . 1 . . . . . . . . 4870 1 857 . 1 1 80 80 ILE C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 858 . 1 1 81 81 ARG N N 15 123.5 0.2 . 1 . . . . . . . . 4870 1 859 . 1 1 81 81 ARG H H 1 8.22 0.02 . 1 . . . . . . . . 4870 1 860 . 1 1 81 81 ARG CA C 13 57.4 0.2 . 1 . . . . . . . . 4870 1 861 . 1 1 81 81 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 4870 1 862 . 1 1 81 81 ARG CB C 13 30.1 0.2 . 1 . . . . . . . . 4870 1 863 . 1 1 81 81 ARG HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4870 1 864 . 1 1 81 81 ARG HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4870 1 865 . 1 1 81 81 ARG CG C 13 27.3 0.2 . 1 . . . . . . . . 4870 1 866 . 1 1 81 81 ARG HG2 H 1 1.71 0.02 . 1 . . . . . . . . 4870 1 867 . 1 1 81 81 ARG HG3 H 1 1.71 0.02 . 1 . . . . . . . . 4870 1 868 . 1 1 81 81 ARG CD C 13 42.7 0.2 . 1 . . . . . . . . 4870 1 869 . 1 1 81 81 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 870 . 1 1 81 81 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 871 . 1 1 81 81 ARG C C 13 177.3 0.2 . 1 . . . . . . . . 4870 1 872 . 1 1 82 82 GLN N N 15 121.2 0.2 . 1 . . . . . . . . 4870 1 873 . 1 1 82 82 GLN H H 1 8.24 0.02 . 1 . . . . . . . . 4870 1 874 . 1 1 82 82 GLN CA C 13 56.5 0.2 . 1 . . . . . . . . 4870 1 875 . 1 1 82 82 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 4870 1 876 . 1 1 82 82 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 4870 1 877 . 1 1 82 82 GLN HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 878 . 1 1 82 82 GLN HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 879 . 1 1 82 82 GLN CG C 13 33.6 0.2 . 1 . . . . . . . . 4870 1 880 . 1 1 82 82 GLN HG2 H 1 2.44 0.02 . 1 . . . . . . . . 4870 1 881 . 1 1 82 82 GLN HG3 H 1 2.44 0.02 . 1 . . . . . . . . 4870 1 882 . 1 1 82 82 GLN CD C 13 180.3 0.2 . 1 . . . . . . . . 4870 1 883 . 1 1 82 82 GLN NE2 N 15 111.6 0.2 . 1 . . . . . . . . 4870 1 884 . 1 1 82 82 GLN HE21 H 1 7.50 0.02 . 1 . . . . . . . . 4870 1 885 . 1 1 82 82 GLN HE22 H 1 6.87 0.02 . 1 . . . . . . . . 4870 1 886 . 1 1 82 82 GLN C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 887 . 1 1 83 83 ILE N N 15 122.3 0.2 . 1 . . . . . . . . 4870 1 888 . 1 1 83 83 ILE H H 1 8.18 0.02 . 1 . . . . . . . . 4870 1 889 . 1 1 83 83 ILE CA C 13 62.2 0.2 . 1 . . . . . . . . 4870 1 890 . 1 1 83 83 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 4870 1 891 . 1 1 83 83 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 4870 1 892 . 1 1 83 83 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 4870 1 893 . 1 1 83 83 ILE HG21 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 894 . 1 1 83 83 ILE HG22 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 895 . 1 1 83 83 ILE HG23 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 896 . 1 1 83 83 ILE CG2 C 13 17.1 0.2 . 1 . . . . . . . . 4870 1 897 . 1 1 83 83 ILE CG1 C 13 27.5 0.2 . 1 . . . . . . . . 4870 1 898 . 1 1 83 83 ILE HG12 H 1 1.26 0.02 . 1 . . . . . . . . 4870 1 899 . 1 1 83 83 ILE HG13 H 1 1.26 0.02 . 1 . . . . . . . . 4870 1 900 . 1 1 83 83 ILE HD11 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 901 . 1 1 83 83 ILE HD12 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 902 . 1 1 83 83 ILE HD13 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 903 . 1 1 83 83 ILE CD1 C 13 12.7 0.2 . 1 . . . . . . . . 4870 1 904 . 1 1 83 83 ILE C C 13 177.3 0.2 . 1 . . . . . . . . 4870 1 905 . 1 1 84 84 GLU N N 15 123.2 0.2 . 1 . . . . . . . . 4870 1 906 . 1 1 84 84 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 4870 1 907 . 1 1 84 84 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 4870 1 908 . 1 1 84 84 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 909 . 1 1 84 84 GLU CB C 13 28.2 0.2 . 1 . . . . . . . . 4870 1 910 . 1 1 84 84 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 911 . 1 1 84 84 GLU HB3 H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 912 . 1 1 84 84 GLU CG C 13 33.0 0.2 . 1 . . . . . . . . 4870 1 913 . 1 1 84 84 GLU HG2 H 1 2.51 0.02 . 1 . . . . . . . . 4870 1 914 . 1 1 84 84 GLU HG3 H 1 2.51 0.02 . 1 . . . . . . . . 4870 1 915 . 1 1 84 84 GLU C C 13 176.7 0.2 . 1 . . . . . . . . 4870 1 916 . 1 1 85 85 ALA N N 15 124.5 0.2 . 1 . . . . . . . . 4870 1 917 . 1 1 85 85 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 4870 1 918 . 1 1 85 85 ALA CA C 13 53.0 0.2 . 1 . . . . . . . . 4870 1 919 . 1 1 85 85 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4870 1 920 . 1 1 85 85 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 921 . 1 1 85 85 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 922 . 1 1 85 85 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 923 . 1 1 85 85 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 4870 1 924 . 1 1 85 85 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 4870 1 925 . 1 1 86 86 LYS N N 15 119.7 0.2 . 1 . . . . . . . . 4870 1 926 . 1 1 86 86 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 4870 1 927 . 1 1 86 86 LYS CA C 13 57.0 0.2 . 1 . . . . . . . . 4870 1 928 . 1 1 86 86 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 4870 1 929 . 1 1 86 86 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 4870 1 930 . 1 1 86 86 LYS HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4870 1 931 . 1 1 86 86 LYS HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4870 1 932 . 1 1 86 86 LYS CG C 13 24.7 0.2 . 1 . . . . . . . . 4870 1 933 . 1 1 86 86 LYS HG2 H 1 1.54 0.02 . 4 . . . . . . . . 4870 1 934 . 1 1 86 86 LYS HG3 H 1 1.54 0.02 . 4 . . . . . . . . 4870 1 935 . 1 1 86 86 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 4870 1 936 . 1 1 86 86 LYS HD2 H 1 1.77 0.02 . 4 . . . . . . . . 4870 1 937 . 1 1 86 86 LYS HD3 H 1 1.77 0.02 . 4 . . . . . . . . 4870 1 938 . 1 1 86 86 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 4870 1 939 . 1 1 86 86 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 4870 1 940 . 1 1 86 86 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 4870 1 941 . 1 1 86 86 LYS C C 13 177.3 0.2 . 1 . . . . . . . . 4870 1 942 . 1 1 87 87 ALA N N 15 123.8 0.2 . 1 . . . . . . . . 4870 1 943 . 1 1 87 87 ALA H H 1 8.04 0.02 . 1 . . . . . . . . 4870 1 944 . 1 1 87 87 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4870 1 945 . 1 1 87 87 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 4870 1 946 . 1 1 87 87 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 4870 1 947 . 1 1 87 87 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 4870 1 948 . 1 1 87 87 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 4870 1 949 . 1 1 87 87 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 4870 1 950 . 1 1 87 87 ALA C C 13 178.4 0.2 . 1 . . . . . . . . 4870 1 951 . 1 1 88 88 LEU N N 15 120.7 0.2 . 1 . . . . . . . . 4870 1 952 . 1 1 88 88 LEU H H 1 8.02 0.02 . 1 . . . . . . . . 4870 1 953 . 1 1 88 88 LEU CA C 13 55.6 0.2 . 1 . . . . . . . . 4870 1 954 . 1 1 88 88 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 4870 1 955 . 1 1 88 88 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 4870 1 956 . 1 1 88 88 LEU HB2 H 1 1.75 0.02 . 1 . . . . . . . . 4870 1 957 . 1 1 88 88 LEU HB3 H 1 1.75 0.02 . 1 . . . . . . . . 4870 1 958 . 1 1 88 88 LEU CG C 13 26.2 0.2 . 1 . . . . . . . . 4870 1 959 . 1 1 88 88 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 4870 1 960 . 1 1 88 88 LEU HD11 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 961 . 1 1 88 88 LEU HD12 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 962 . 1 1 88 88 LEU HD13 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 963 . 1 1 88 88 LEU HD21 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 964 . 1 1 88 88 LEU HD22 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 965 . 1 1 88 88 LEU HD23 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 966 . 1 1 88 88 LEU CD1 C 13 24.3 0.2 . 1 . . . . . . . . 4870 1 967 . 1 1 88 88 LEU CD2 C 13 23.1 0.2 . 1 . . . . . . . . 4870 1 968 . 1 1 88 88 LEU C C 13 178.0 0.2 . 1 . . . . . . . . 4870 1 969 . 1 1 89 89 ARG N N 15 121.1 0.2 . 1 . . . . . . . . 4870 1 970 . 1 1 89 89 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 4870 1 971 . 1 1 89 89 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 972 . 1 1 89 89 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 973 . 1 1 89 89 ARG CB C 13 30.2 0.2 . 1 . . . . . . . . 4870 1 974 . 1 1 89 89 ARG HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 975 . 1 1 89 89 ARG HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 976 . 1 1 89 89 ARG CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 977 . 1 1 89 89 ARG HG2 H 1 1.75 0.02 . 1 . . . . . . . . 4870 1 978 . 1 1 89 89 ARG HG3 H 1 1.75 0.02 . 1 . . . . . . . . 4870 1 979 . 1 1 89 89 ARG CD C 13 43.1 0.2 . 1 . . . . . . . . 4870 1 980 . 1 1 89 89 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 4870 1 981 . 1 1 89 89 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 4870 1 982 . 1 1 89 89 ARG C C 13 176.5 0.2 . 1 . . . . . . . . 4870 1 983 . 1 1 90 90 LYS N N 15 121.9 0.2 . 1 . . . . . . . . 4870 1 984 . 1 1 90 90 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 4870 1 985 . 1 1 90 90 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 986 . 1 1 90 90 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 4870 1 987 . 1 1 90 90 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 4870 1 988 . 1 1 90 90 LYS HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4870 1 989 . 1 1 90 90 LYS HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4870 1 990 . 1 1 90 90 LYS CG C 13 24.5 0.2 . 1 . . . . . . . . 4870 1 991 . 1 1 90 90 LYS HG2 H 1 1.49 0.02 . 4 . . . . . . . . 4870 1 992 . 1 1 90 90 LYS HG3 H 1 1.49 0.02 . 4 . . . . . . . . 4870 1 993 . 1 1 90 90 LYS CD C 13 28.8 0.2 . 1 . . . . . . . . 4870 1 994 . 1 1 90 90 LYS HD2 H 1 1.79 0.02 . 4 . . . . . . . . 4870 1 995 . 1 1 90 90 LYS HD3 H 1 1.79 0.02 . 4 . . . . . . . . 4870 1 996 . 1 1 90 90 LYS CE C 13 39.2 0.2 . 1 . . . . . . . . 4870 1 997 . 1 1 90 90 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 4870 1 998 . 1 1 90 90 LYS HE3 H 1 3.06 0.02 . 1 . . . . . . . . 4870 1 999 . 1 1 90 90 LYS C C 13 176.6 0.2 . 1 . . . . . . . . 4870 1 1000 . 1 1 91 91 LEU N N 15 123.1 0.2 . 1 . . . . . . . . 4870 1 1001 . 1 1 91 91 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 4870 1 1002 . 1 1 91 91 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 4870 1 1003 . 1 1 91 91 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 4870 1 1004 . 1 1 91 91 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4870 1 1005 . 1 1 91 91 LEU HB2 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 1006 . 1 1 91 91 LEU HB3 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 1007 . 1 1 91 91 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 1008 . 1 1 91 91 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4870 1 1009 . 1 1 91 91 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4870 1 1010 . 1 1 91 91 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4870 1 1011 . 1 1 91 91 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4870 1 1012 . 1 1 91 91 LEU HD21 H 1 1.01 0.02 . 2 . . . . . . . . 4870 1 1013 . 1 1 91 91 LEU HD22 H 1 1.01 0.02 . 2 . . . . . . . . 4870 1 1014 . 1 1 91 91 LEU HD23 H 1 1.01 0.02 . 2 . . . . . . . . 4870 1 1015 . 1 1 91 91 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 4870 1 1016 . 1 1 91 91 LEU CD2 C 13 23.1 0.2 . 1 . . . . . . . . 4870 1 1017 . 1 1 91 91 LEU C C 13 177.2 0.2 . 1 . . . . . . . . 4870 1 1018 . 1 1 92 92 ARG N N 15 121.6 0.2 . 1 . . . . . . . . 4870 1 1019 . 1 1 92 92 ARG H H 1 8.24 0.02 . 1 . . . . . . . . 4870 1 1020 . 1 1 92 92 ARG CA C 13 55.7 0.2 . 1 . . . . . . . . 4870 1 1021 . 1 1 92 92 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 1022 . 1 1 92 92 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4870 1 1023 . 1 1 92 92 ARG HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4870 1 1024 . 1 1 92 92 ARG HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4870 1 1025 . 1 1 92 92 ARG CG C 13 27.1 0.2 . 1 . . . . . . . . 4870 1 1026 . 1 1 92 92 ARG HG2 H 1 1.67 0.02 . 1 . . . . . . . . 4870 1 1027 . 1 1 92 92 ARG HG3 H 1 1.67 0.02 . 1 . . . . . . . . 4870 1 1028 . 1 1 92 92 ARG CD C 13 43.0 0.2 . 1 . . . . . . . . 4870 1 1029 . 1 1 92 92 ARG C C 13 176.0 0.2 . 1 . . . . . . . . 4870 1 1030 . 1 1 93 93 HIS N N 15 119.8 0.2 . 1 . . . . . . . . 4870 1 1031 . 1 1 93 93 HIS H H 1 8.48 0.02 . 1 . . . . . . . . 4870 1 1032 . 1 1 93 93 HIS CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 1033 . 1 1 93 93 HIS HA H 1 4.98 0.02 . 1 . . . . . . . . 4870 1 1034 . 1 1 93 93 HIS HB2 H 1 3.26 0.02 . 2 . . . . . . . . 4870 1 1035 . 1 1 93 93 HIS HB3 H 1 3.03 0.02 . 2 . . . . . . . . 4870 1 1036 . 1 1 93 93 HIS C C 13 172.4 0.2 . 1 . . . . . . . . 4870 1 1037 . 1 1 94 94 PRO CD C 13 50.4 0.2 . 1 . . . . . . . . 4870 1 1038 . 1 1 94 94 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 4870 1 1039 . 1 1 94 94 PRO HA H 1 4.50 0.02 . 1 . . . . . . . . 4870 1 1040 . 1 1 94 94 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 4870 1 1041 . 1 1 94 94 PRO HB2 H 1 2.35 0.02 . 1 . . . . . . . . 4870 1 1042 . 1 1 94 94 PRO HB3 H 1 2.35 0.02 . 1 . . . . . . . . 4870 1 1043 . 1 1 94 94 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 4870 1 1044 . 1 1 94 94 PRO HG2 H 1 2.03 0.02 . 1 . . . . . . . . 4870 1 1045 . 1 1 94 94 PRO HG3 H 1 2.03 0.02 . 1 . . . . . . . . 4870 1 1046 . 1 1 94 94 PRO HD2 H 1 3.66 0.02 . 1 . . . . . . . . 4870 1 1047 . 1 1 94 94 PRO HD3 H 1 3.66 0.02 . 1 . . . . . . . . 4870 1 1048 . 1 1 94 94 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 1049 . 1 1 95 95 SER N N 15 117.0 0.2 . 1 . . . . . . . . 4870 1 1050 . 1 1 95 95 SER H H 1 8.49 0.02 . 1 . . . . . . . . 4870 1 1051 . 1 1 95 95 SER CA C 13 57.7 0.2 . 1 . . . . . . . . 4870 1 1052 . 1 1 95 95 SER HA H 1 4.49 0.02 . 1 . . . . . . . . 4870 1 1053 . 1 1 95 95 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 4870 1 1054 . 1 1 95 95 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 4870 1 1055 . 1 1 95 95 SER HB3 H 1 3.91 0.02 . 2 . . . . . . . . 4870 1 1056 . 1 1 95 95 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4870 1 1057 . 1 1 96 96 ARG N N 15 122.9 0.2 . 1 . . . . . . . . 4870 1 1058 . 1 1 96 96 ARG H H 1 8.49 0.02 . 1 . . . . . . . . 4870 1 1059 . 1 1 96 96 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 1060 . 1 1 96 96 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 4870 1 1061 . 1 1 96 96 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 4870 1 1062 . 1 1 96 96 ARG HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4870 1 1063 . 1 1 96 96 ARG HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4870 1 1064 . 1 1 96 96 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4870 1 1065 . 1 1 96 96 ARG HG2 H 1 1.72 0.02 . 1 . . . . . . . . 4870 1 1066 . 1 1 96 96 ARG HG3 H 1 1.72 0.02 . 1 . . . . . . . . 4870 1 1067 . 1 1 96 96 ARG CD C 13 43.0 0.2 . 1 . . . . . . . . 4870 1 1068 . 1 1 96 96 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 4870 1 1069 . 1 1 96 96 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 4870 1 1070 . 1 1 96 96 ARG C C 13 176.7 0.2 . 1 . . . . . . . . 4870 1 1071 . 1 1 97 97 SER N N 15 116.3 0.2 . 1 . . . . . . . . 4870 1 1072 . 1 1 97 97 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4870 1 1073 . 1 1 97 97 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 4870 1 1074 . 1 1 97 97 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 4870 1 1075 . 1 1 97 97 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 4870 1 1076 . 1 1 97 97 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 4870 1 1077 . 1 1 97 97 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 4870 1 1078 . 1 1 97 97 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4870 1 1079 . 1 1 98 98 GLU N N 15 122.5 0.2 . 1 . . . . . . . . 4870 1 1080 . 1 1 98 98 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 4870 1 1081 . 1 1 98 98 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 4870 1 1082 . 1 1 98 98 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 4870 1 1083 . 1 1 98 98 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 4870 1 1084 . 1 1 98 98 GLU HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4870 1 1085 . 1 1 98 98 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 4870 1 1086 . 1 1 98 98 GLU CG C 13 33.0 0.2 . 1 . . . . . . . . 4870 1 1087 . 1 1 98 98 GLU HG2 H 1 2.48 0.02 . 1 . . . . . . . . 4870 1 1088 . 1 1 98 98 GLU HG3 H 1 2.48 0.02 . 1 . . . . . . . . 4870 1 1089 . 1 1 98 98 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 4870 1 1090 . 1 1 99 99 VAL N N 15 121.3 0.2 . 1 . . . . . . . . 4870 1 1091 . 1 1 99 99 VAL H H 1 8.09 0.02 . 1 . . . . . . . . 4870 1 1092 . 1 1 99 99 VAL CA C 13 62.4 0.2 . 1 . . . . . . . . 4870 1 1093 . 1 1 99 99 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 4870 1 1094 . 1 1 99 99 VAL CB C 13 32.4 0.2 . 1 . . . . . . . . 4870 1 1095 . 1 1 99 99 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 1096 . 1 1 99 99 VAL CG1 C 13 20.6 0.2 . 1 . . . . . . . . 4870 1 1097 . 1 1 99 99 VAL HG11 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1098 . 1 1 99 99 VAL HG12 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1099 . 1 1 99 99 VAL HG13 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1100 . 1 1 99 99 VAL HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1101 . 1 1 99 99 VAL HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1102 . 1 1 99 99 VAL HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1103 . 1 1 99 99 VAL C C 13 176.4 0.2 . 1 . . . . . . . . 4870 1 1104 . 1 1 100 100 LEU N N 15 125.5 0.2 . 1 . . . . . . . . 4870 1 1105 . 1 1 100 100 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 4870 1 1106 . 1 1 100 100 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 4870 1 1107 . 1 1 100 100 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 4870 1 1108 . 1 1 100 100 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 4870 1 1109 . 1 1 100 100 LEU HB2 H 1 1.68 0.02 . 1 . . . . . . . . 4870 1 1110 . 1 1 100 100 LEU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 4870 1 1111 . 1 1 100 100 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4870 1 1112 . 1 1 100 100 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 4870 1 1113 . 1 1 100 100 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 4870 1 1114 . 1 1 100 100 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 4870 1 1115 . 1 1 100 100 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 4870 1 1116 . 1 1 100 100 LEU HD21 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1117 . 1 1 100 100 LEU HD22 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1118 . 1 1 100 100 LEU HD23 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1119 . 1 1 100 100 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 4870 1 1120 . 1 1 100 100 LEU CD2 C 13 23.1 0.2 . 1 . . . . . . . . 4870 1 1121 . 1 1 100 100 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 4870 1 1122 . 1 1 101 101 ARG N N 15 121.6 0.2 . 1 . . . . . . . . 4870 1 1123 . 1 1 101 101 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 4870 1 1124 . 1 1 101 101 ARG CA C 13 56.0 0.2 . 1 . . . . . . . . 4870 1 1125 . 1 1 101 101 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 4870 1 1126 . 1 1 101 101 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4870 1 1127 . 1 1 101 101 ARG HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4870 1 1128 . 1 1 101 101 ARG HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4870 1 1129 . 1 1 101 101 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4870 1 1130 . 1 1 101 101 ARG HG2 H 1 1.64 0.02 . 1 . . . . . . . . 4870 1 1131 . 1 1 101 101 ARG HG3 H 1 1.64 0.02 . 1 . . . . . . . . 4870 1 1132 . 1 1 101 101 ARG CD C 13 42.9 0.2 . 1 . . . . . . . . 4870 1 1133 . 1 1 101 101 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 1134 . 1 1 101 101 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 1135 . 1 1 101 101 ARG C C 13 176.3 0.2 . 1 . . . . . . . . 4870 1 1136 . 1 1 102 102 SER N N 15 116.2 0.2 . 1 . . . . . . . . 4870 1 1137 . 1 1 102 102 SER H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 1138 . 1 1 102 102 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 4870 1 1139 . 1 1 102 102 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 4870 1 1140 . 1 1 102 102 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 4870 1 1141 . 1 1 102 102 SER HB2 H 1 3.83 0.02 . 2 . . . . . . . . 4870 1 1142 . 1 1 102 102 SER HB3 H 1 3.78 0.02 . 2 . . . . . . . . 4870 1 1143 . 1 1 102 102 SER C C 13 174.5 0.2 . 1 . . . . . . . . 4870 1 1144 . 1 1 103 103 PHE N N 15 121.8 0.2 . 1 . . . . . . . . 4870 1 1145 . 1 1 103 103 PHE H H 1 8.14 0.02 . 1 . . . . . . . . 4870 1 1146 . 1 1 103 103 PHE CA C 13 57.5 0.2 . 1 . . . . . . . . 4870 1 1147 . 1 1 103 103 PHE HA H 1 4.64 0.02 . 1 . . . . . . . . 4870 1 1148 . 1 1 103 103 PHE CB C 13 39.0 0.2 . 1 . . . . . . . . 4870 1 1149 . 1 1 103 103 PHE HB2 H 1 3.22 0.02 . 2 . . . . . . . . 4870 1 1150 . 1 1 103 103 PHE HB3 H 1 3.08 0.02 . 2 . . . . . . . . 4870 1 1151 . 1 1 103 103 PHE C C 13 175.7 0.2 . 1 . . . . . . . . 4870 1 1152 . 1 1 104 104 LEU N N 15 122.2 0.2 . 1 . . . . . . . . 4870 1 1153 . 1 1 104 104 LEU H H 1 8.00 0.02 . 1 . . . . . . . . 4870 1 1154 . 1 1 104 104 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 4870 1 1155 . 1 1 104 104 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 4870 1 1156 . 1 1 104 104 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4870 1 1157 . 1 1 104 104 LEU HB2 H 1 1.62 0.02 . 1 . . . . . . . . 4870 1 1158 . 1 1 104 104 LEU HB3 H 1 1.62 0.02 . 1 . . . . . . . . 4870 1 1159 . 1 1 104 104 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 1160 . 1 1 104 104 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 4870 1 1161 . 1 1 104 104 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 1162 . 1 1 104 104 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 1163 . 1 1 104 104 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 1164 . 1 1 104 104 LEU HD21 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1165 . 1 1 104 104 LEU HD22 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1166 . 1 1 104 104 LEU HD23 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1167 . 1 1 104 104 LEU CD1 C 13 24.5 0.2 . 1 . . . . . . . . 4870 1 1168 . 1 1 104 104 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4870 1 1169 . 1 1 104 104 LEU C C 13 176.9 0.2 . 1 . . . . . . . . 4870 1 1170 . 1 1 105 105 ASP N N 15 119.3 0.2 . 1 . . . . . . . . 4870 1 1171 . 1 1 105 105 ASP H H 1 8.23 0.02 . 1 . . . . . . . . 4870 1 1172 . 1 1 105 105 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 4870 1 1173 . 1 1 105 105 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 4870 1 1174 . 1 1 105 105 ASP CB C 13 38.0 0.2 . 1 . . . . . . . . 4870 1 1175 . 1 1 105 105 ASP HB2 H 1 2.98 0.02 . 2 . . . . . . . . 4870 1 1176 . 1 1 105 105 ASP HB3 H 1 2.83 0.02 . 2 . . . . . . . . 4870 1 1177 . 1 1 105 105 ASP C C 13 174.5 0.2 . 1 . . . . . . . . 4870 1 1178 . 1 1 106 106 ASP N N 15 121.5 0.2 . 1 . . . . . . . . 4870 1 1179 . 1 1 106 106 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 4870 1 1180 . 1 1 106 106 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 4870 1 1181 . 1 1 106 106 ASP CB C 13 38.5 0.2 . 1 . . . . . . . . 4870 1 1182 . 1 1 106 106 ASP C C 13 178.0 0.2 . 1 . . . . . . . . 4870 1 stop_ save_ ################################### # 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_shift_set_25_minor_isoform _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_25_minor_isoform _Assigned_chem_shift_list.Entry_ID 4870 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; 23 ELPL fragment of minor conformational species exhibiting cis Leu-Pro peptide bond has been additionally assigned. M1 is deleted in the expression system and in consequence at low pH G2 is protonated and exhibits unusual chemical shifts of N Arginine, Leucine and Glutamine in fragments 34LR, 54RMR, 67LEE, 78RER, 81RQ, 89LR, 92LR, 99EV, 101LR are ambiguously placed in the sequence. The most probable assignment is given, but in most cases L,R,E assignment could be flopped. ; _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 $sample_1 . 4870 2 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 22 22 GLU CA C 13 55.0 0.2 . 1 . . . . . . . . 4870 2 2 . 1 1 22 22 GLU HA H 1 4.40 0.02 . 1 . . . . . . . . 4870 2 3 . 1 1 22 22 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 4870 2 4 . 1 1 22 22 GLU CG C 13 32.6 0.2 . 1 . . . . . . . . 4870 2 5 . 1 1 22 22 GLU HG2 H 1 2.46 0.02 . 1 . . . . . . . . 4870 2 6 . 1 1 22 22 GLU HG3 H 1 2.46 0.02 . 1 . . . . . . . . 4870 2 7 . 1 1 22 22 GLU C C 13 174.4 0.2 . 1 . . . . . . . . 4870 2 8 . 1 1 23 23 LEU N N 15 122.7 0.2 . 1 . . . . . . . . 4870 2 9 . 1 1 23 23 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 4870 2 10 . 1 1 23 23 LEU CA C 13 52.2 0.2 . 1 . . . . . . . . 4870 2 11 . 1 1 23 23 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 4870 2 12 . 1 1 23 23 LEU C C 13 175.5 0.2 . 1 . . . . . . . . 4870 2 13 . 1 1 24 24 PRO CD C 13 50.0 0.2 . 1 . . . . . . . . 4870 2 14 . 1 1 24 24 PRO CA C 13 62.1 0.2 . 1 . . . . . . . . 4870 2 15 . 1 1 24 24 PRO HA H 1 4.53 0.2 . 1 . . . . . . . . 4870 2 16 . 1 1 24 24 PRO CB C 13 34.3 0.2 . 1 . . . . . . . . 4870 2 17 . 1 1 24 24 PRO HB2 H 1 2.42 0.02 . 2 . . . . . . . . 4870 2 18 . 1 1 24 24 PRO HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4870 2 19 . 1 1 24 24 PRO CG C 13 24.4 0.2 . 1 . . . . . . . . 4870 2 20 . 1 1 24 24 PRO HG2 H 1 2.21 0.02 . 1 . . . . . . . . 4870 2 21 . 1 1 24 24 PRO HG3 H 1 2.21 0.02 . 1 . . . . . . . . 4870 2 22 . 1 1 24 24 PRO C C 13 176.3 0.2 . 1 . . . . . . . . 4870 2 23 . 1 1 25 25 LEU N N 15 122.0 0.2 . 1 . . . . . . . . 4870 2 24 . 1 1 25 25 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 4870 2 25 . 1 1 25 25 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 4870 2 26 . 1 1 25 25 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 4870 2 27 . 1 1 25 25 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 4870 2 28 . 1 1 25 25 LEU HB2 H 1 1.63 0.02 . 1 . . . . . . . . 4870 2 29 . 1 1 25 25 LEU HB3 H 1 1.63 0.02 . 1 . . . . . . . . 4870 2 30 . 1 1 25 25 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 4870 2 31 . 1 1 25 25 LEU HG H 1 1.00 0.02 . 1 . . . . . . . . 4870 2 32 . 1 1 25 25 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4870 2 33 . 1 1 25 25 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4870 2 34 . 1 1 25 25 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4870 2 35 . 1 1 25 25 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 4870 2 36 . 1 1 25 25 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 4870 2 37 . 1 1 25 25 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 4870 2 38 . 1 1 25 25 LEU CD1 C 13 24.3 0.2 . 1 . . . . . . . . 4870 2 39 . 1 1 25 25 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4870 2 40 . 1 1 25 25 LEU C C 13 176.4 0.2 . 1 . . . . . . . . 4870 2 41 . 1 1 26 26 ASP N N 15 118.8 0.2 . 1 . . . . . . . . 4870 2 42 . 1 1 26 26 ASP H H 1 7.75 0.02 . 1 . . . . . . . . 4870 2 stop_ save_