################################### # 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 16686 _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 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 6 '3D HNCO' . . . 16686 1 8 '3D HN(CA)CO' . . . 16686 1 14 '3D 1H-15N,13C NOESY' . . . 16686 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 16686 1 5 $CYANA . . 16686 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.084 0.02 . 1 . . . . . 34 MET HE . 16686 1 2 . 1 1 1 1 MET HE2 H 1 2.084 0.02 . 1 . . . . . 34 MET HE . 16686 1 3 . 1 1 1 1 MET HE3 H 1 2.084 0.02 . 1 . . . . . 34 MET HE . 16686 1 4 . 1 1 1 1 MET CE C 13 16.627 0.2 . 1 . . . . . 34 MET CE . 16686 1 5 . 1 1 2 2 ASP HA H 1 4.701 0.02 . 1 . . . . . 35 ASP HA . 16686 1 6 . 1 1 2 2 ASP HB2 H 1 2.731 0.02 . 2 . . . . . 35 ASP HB2 . 16686 1 7 . 1 1 2 2 ASP HB3 H 1 2.584 0.02 . 2 . . . . . 35 ASP HB3 . 16686 1 8 . 1 1 2 2 ASP C C 13 175.979 0.2 . 1 . . . . . 35 ASP C . 16686 1 9 . 1 1 2 2 ASP CA C 13 54.400 0.2 . 1 . . . . . 35 ASP CA . 16686 1 10 . 1 1 2 2 ASP CB C 13 41.200 0.2 . 1 . . . . . 35 ASP CB . 16686 1 11 . 1 1 3 3 THR H H 1 8.205 0.02 . 1 . . . . . 36 THR H . 16686 1 12 . 1 1 3 3 THR HA H 1 4.225 0.02 . 1 . . . . . 36 THR HA . 16686 1 13 . 1 1 3 3 THR HB H 1 4.219 0.02 . 1 . . . . . 36 THR HB . 16686 1 14 . 1 1 3 3 THR HG21 H 1 1.148 0.02 . 1 . . . . . 36 THR HG2 . 16686 1 15 . 1 1 3 3 THR HG22 H 1 1.148 0.02 . 1 . . . . . 36 THR HG2 . 16686 1 16 . 1 1 3 3 THR HG23 H 1 1.148 0.02 . 1 . . . . . 36 THR HG2 . 16686 1 17 . 1 1 3 3 THR C C 13 174.246 0.2 . 1 . . . . . 36 THR C . 16686 1 18 . 1 1 3 3 THR CA C 13 61.600 0.2 . 1 . . . . . 36 THR CA . 16686 1 19 . 1 1 3 3 THR CB C 13 69.525 0.2 . 1 . . . . . 36 THR CB . 16686 1 20 . 1 1 3 3 THR CG2 C 13 21.421 0.2 . 1 . . . . . 36 THR CG2 . 16686 1 21 . 1 1 3 3 THR N N 15 114.149 0.2 . 1 . . . . . 36 THR N . 16686 1 22 . 1 1 4 4 ASN H H 1 8.401 0.02 . 1 . . . . . 37 ASN H . 16686 1 23 . 1 1 4 4 ASN HA H 1 4.550 0.02 . 1 . . . . . 37 ASN HA . 16686 1 24 . 1 1 4 4 ASN HB2 H 1 2.534 0.02 . 2 . . . . . 37 ASN HB2 . 16686 1 25 . 1 1 4 4 ASN HB3 H 1 2.503 0.02 . 2 . . . . . 37 ASN HB3 . 16686 1 26 . 1 1 4 4 ASN HD21 H 1 7.580 0.02 . 2 . . . . . 37 ASN HD21 . 16686 1 27 . 1 1 4 4 ASN HD22 H 1 6.948 0.02 . 2 . . . . . 37 ASN HD22 . 16686 1 28 . 1 1 4 4 ASN C C 13 174.318 0.2 . 1 . . . . . 37 ASN C . 16686 1 29 . 1 1 4 4 ASN CA C 13 53.078 0.2 . 1 . . . . . 37 ASN CA . 16686 1 30 . 1 1 4 4 ASN CB C 13 38.666 0.2 . 1 . . . . . 37 ASN CB . 16686 1 31 . 1 1 4 4 ASN N N 15 120.305 0.2 . 1 . . . . . 37 ASN N . 16686 1 32 . 1 1 4 4 ASN ND2 N 15 113.485 0.2 . 1 . . . . . 37 ASN ND2 . 16686 1 33 . 1 1 5 5 ASN H H 1 8.201 0.02 . 1 . . . . . 38 ASN H . 16686 1 34 . 1 1 5 5 ASN HA H 1 4.669 0.02 . 1 . . . . . 38 ASN HA . 16686 1 35 . 1 1 5 5 ASN HB2 H 1 2.632 0.02 . 2 . . . . . 38 ASN HB2 . 16686 1 36 . 1 1 5 5 ASN HB3 H 1 2.762 0.02 . 2 . . . . . 38 ASN HB3 . 16686 1 37 . 1 1 5 5 ASN HD21 H 1 7.509 0.02 . 2 . . . . . 38 ASN HD21 . 16686 1 38 . 1 1 5 5 ASN HD22 H 1 6.808 0.02 . 2 . . . . . 38 ASN HD22 . 16686 1 39 . 1 1 5 5 ASN C C 13 174.963 0.2 . 1 . . . . . 38 ASN C . 16686 1 40 . 1 1 5 5 ASN CA C 13 52.800 0.2 . 1 . . . . . 38 ASN CA . 16686 1 41 . 1 1 5 5 ASN CB C 13 38.605 0.2 . 1 . . . . . 38 ASN CB . 16686 1 42 . 1 1 5 5 ASN N N 15 117.954 0.2 . 1 . . . . . 38 ASN N . 16686 1 43 . 1 1 5 5 ASN ND2 N 15 112.386 0.2 . 1 . . . . . 38 ASN ND2 . 16686 1 44 . 1 1 6 6 PHE H H 1 8.209 0.02 . 1 . . . . . 39 PHE H . 16686 1 45 . 1 1 6 6 PHE HA H 1 4.803 0.02 . 1 . . . . . 39 PHE HA . 16686 1 46 . 1 1 6 6 PHE HB2 H 1 2.947 0.02 . 1 . . . . . 39 PHE HB2 . 16686 1 47 . 1 1 6 6 PHE HB3 H 1 3.087 0.02 . 1 . . . . . 39 PHE HB3 . 16686 1 48 . 1 1 6 6 PHE HD1 H 1 7.067 0.02 . 1 . . . . . 39 PHE HD1 . 16686 1 49 . 1 1 6 6 PHE HD2 H 1 7.067 0.02 . 1 . . . . . 39 PHE HD2 . 16686 1 50 . 1 1 6 6 PHE HE1 H 1 7.305 0.02 . 1 . . . . . 39 PHE HE1 . 16686 1 51 . 1 1 6 6 PHE HE2 H 1 7.305 0.02 . 1 . . . . . 39 PHE HE2 . 16686 1 52 . 1 1 6 6 PHE HZ H 1 7.303 0.02 . 1 . . . . . 39 PHE HZ . 16686 1 53 . 1 1 6 6 PHE C C 13 174.910 0.2 . 1 . . . . . 39 PHE C . 16686 1 54 . 1 1 6 6 PHE CA C 13 55.960 0.2 . 1 . . . . . 39 PHE CA . 16686 1 55 . 1 1 6 6 PHE CB C 13 38.287 0.2 . 1 . . . . . 39 PHE CB . 16686 1 56 . 1 1 6 6 PHE CD1 C 13 131.048 0.2 . 1 . . . . . 39 PHE CD1 . 16686 1 57 . 1 1 6 6 PHE CD2 C 13 131.048 0.2 . 1 . . . . . 39 PHE CD2 . 16686 1 58 . 1 1 6 6 PHE CE1 C 13 131.097 0.2 . 1 . . . . . 39 PHE CE1 . 16686 1 59 . 1 1 6 6 PHE CE2 C 13 131.097 0.2 . 1 . . . . . 39 PHE CE2 . 16686 1 60 . 1 1 6 6 PHE CZ C 13 129.696 0.2 . 1 . . . . . 39 PHE CZ . 16686 1 61 . 1 1 6 6 PHE N N 15 121.640 0.2 . 1 . . . . . 39 PHE N . 16686 1 62 . 1 1 7 7 THR H H 1 8.019 0.02 . 1 . . . . . 40 THR H . 16686 1 63 . 1 1 7 7 THR HA H 1 4.859 0.02 . 1 . . . . . 40 THR HA . 16686 1 64 . 1 1 7 7 THR HB H 1 4.059 0.02 . 1 . . . . . 40 THR HB . 16686 1 65 . 1 1 7 7 THR HG21 H 1 1.057 0.02 . 1 . . . . . 40 THR HG2 . 16686 1 66 . 1 1 7 7 THR HG22 H 1 1.057 0.02 . 1 . . . . . 40 THR HG2 . 16686 1 67 . 1 1 7 7 THR HG23 H 1 1.057 0.02 . 1 . . . . . 40 THR HG2 . 16686 1 68 . 1 1 7 7 THR C C 13 173.478 0.2 . 1 . . . . . 40 THR C . 16686 1 69 . 1 1 7 7 THR CA C 13 59.700 0.2 . 1 . . . . . 40 THR CA . 16686 1 70 . 1 1 7 7 THR CB C 13 72.133 0.2 . 1 . . . . . 40 THR CB . 16686 1 71 . 1 1 7 7 THR CG2 C 13 21.921 0.2 . 1 . . . . . 40 THR CG2 . 16686 1 72 . 1 1 7 7 THR N N 15 109.857 0.2 . 1 . . . . . 40 THR N . 16686 1 73 . 1 1 8 8 VAL H H 1 8.511 0.02 . 1 . . . . . 41 VAL H . 16686 1 74 . 1 1 8 8 VAL HA H 1 4.173 0.02 . 1 . . . . . 41 VAL HA . 16686 1 75 . 1 1 8 8 VAL HB H 1 1.285 0.02 . 1 . . . . . 41 VAL HB . 16686 1 76 . 1 1 8 8 VAL HG11 H 1 0.153 0.02 . 1 . . . . . 41 VAL HG1 . 16686 1 77 . 1 1 8 8 VAL HG12 H 1 0.153 0.02 . 1 . . . . . 41 VAL HG1 . 16686 1 78 . 1 1 8 8 VAL HG13 H 1 0.153 0.02 . 1 . . . . . 41 VAL HG1 . 16686 1 79 . 1 1 8 8 VAL HG21 H 1 0.170 0.02 . 1 . . . . . 41 VAL HG2 . 16686 1 80 . 1 1 8 8 VAL HG22 H 1 0.170 0.02 . 1 . . . . . 41 VAL HG2 . 16686 1 81 . 1 1 8 8 VAL HG23 H 1 0.170 0.02 . 1 . . . . . 41 VAL HG2 . 16686 1 82 . 1 1 8 8 VAL C C 13 173.947 0.2 . 1 . . . . . 41 VAL C . 16686 1 83 . 1 1 8 8 VAL CA C 13 60.956 0.2 . 1 . . . . . 41 VAL CA . 16686 1 84 . 1 1 8 8 VAL CB C 13 34.835 0.2 . 1 . . . . . 41 VAL CB . 16686 1 85 . 1 1 8 8 VAL CG1 C 13 20.880 0.2 . 1 . . . . . 41 VAL CG1 . 16686 1 86 . 1 1 8 8 VAL CG2 C 13 21.762 0.2 . 1 . . . . . 41 VAL CG2 . 16686 1 87 . 1 1 8 8 VAL N N 15 121.903 0.2 . 1 . . . . . 41 VAL N . 16686 1 88 . 1 1 9 9 LYS H H 1 7.581 0.02 . 1 . . . . . 42 LYS H . 16686 1 89 . 1 1 9 9 LYS HA H 1 4.935 0.02 . 1 . . . . . 42 LYS HA . 16686 1 90 . 1 1 9 9 LYS HB2 H 1 1.709 0.02 . 2 . . . . . 42 LYS HB2 . 16686 1 91 . 1 1 9 9 LYS HB3 H 1 1.709 0.02 . 2 . . . . . 42 LYS HB3 . 16686 1 92 . 1 1 9 9 LYS HD2 H 1 1.630 0.02 . 2 . . . . . 42 LYS HD2 . 16686 1 93 . 1 1 9 9 LYS HD3 H 1 1.586 0.02 . 2 . . . . . 42 LYS HD3 . 16686 1 94 . 1 1 9 9 LYS HE2 H 1 2.873 0.02 . 1 . . . . . 42 LYS HE2 . 16686 1 95 . 1 1 9 9 LYS HE3 H 1 2.955 0.02 . 1 . . . . . 42 LYS HE3 . 16686 1 96 . 1 1 9 9 LYS HG2 H 1 1.176 0.02 . 1 . . . . . 42 LYS HG2 . 16686 1 97 . 1 1 9 9 LYS HG3 H 1 1.408 0.02 . 1 . . . . . 42 LYS HG3 . 16686 1 98 . 1 1 9 9 LYS C C 13 173.791 0.2 . 1 . . . . . 42 LYS C . 16686 1 99 . 1 1 9 9 LYS CA C 13 54.433 0.2 . 1 . . . . . 42 LYS CA . 16686 1 100 . 1 1 9 9 LYS CB C 13 34.651 0.2 . 1 . . . . . 42 LYS CB . 16686 1 101 . 1 1 9 9 LYS CD C 13 29.132 0.2 . 1 . . . . . 42 LYS CD . 16686 1 102 . 1 1 9 9 LYS CE C 13 42.058 0.2 . 1 . . . . . 42 LYS CE . 16686 1 103 . 1 1 9 9 LYS CG C 13 25.210 0.2 . 1 . . . . . 42 LYS CG . 16686 1 104 . 1 1 9 9 LYS N N 15 127.930 0.2 . 1 . . . . . 42 LYS N . 16686 1 105 . 1 1 10 10 VAL H H 1 9.095 0.02 . 1 . . . . . 43 VAL H . 16686 1 106 . 1 1 10 10 VAL HA H 1 4.936 0.02 . 1 . . . . . 43 VAL HA . 16686 1 107 . 1 1 10 10 VAL HB H 1 1.953 0.02 . 1 . . . . . 43 VAL HB . 16686 1 108 . 1 1 10 10 VAL HG11 H 1 0.929 0.02 . 1 . . . . . 43 VAL HG1 . 16686 1 109 . 1 1 10 10 VAL HG12 H 1 0.929 0.02 . 1 . . . . . 43 VAL HG1 . 16686 1 110 . 1 1 10 10 VAL HG13 H 1 0.929 0.02 . 1 . . . . . 43 VAL HG1 . 16686 1 111 . 1 1 10 10 VAL HG21 H 1 0.852 0.02 . 1 . . . . . 43 VAL HG2 . 16686 1 112 . 1 1 10 10 VAL HG22 H 1 0.852 0.02 . 1 . . . . . 43 VAL HG2 . 16686 1 113 . 1 1 10 10 VAL HG23 H 1 0.852 0.02 . 1 . . . . . 43 VAL HG2 . 16686 1 114 . 1 1 10 10 VAL C C 13 174.963 0.2 . 1 . . . . . 43 VAL C . 16686 1 115 . 1 1 10 10 VAL CA C 13 60.229 0.2 . 1 . . . . . 43 VAL CA . 16686 1 116 . 1 1 10 10 VAL CB C 13 33.129 0.2 . 1 . . . . . 43 VAL CB . 16686 1 117 . 1 1 10 10 VAL CG1 C 13 22.105 0.2 . 1 . . . . . 43 VAL CG1 . 16686 1 118 . 1 1 10 10 VAL CG2 C 13 20.397 0.2 . 1 . . . . . 43 VAL CG2 . 16686 1 119 . 1 1 10 10 VAL N N 15 127.369 0.2 . 1 . . . . . 43 VAL N . 16686 1 120 . 1 1 11 11 GLU H H 1 9.085 0.02 . 1 . . . . . 44 GLU H . 16686 1 121 . 1 1 11 11 GLU HA H 1 4.850 0.02 . 1 . . . . . 44 GLU HA . 16686 1 122 . 1 1 11 11 GLU HB2 H 1 1.704 0.02 . 1 . . . . . 44 GLU HB2 . 16686 1 123 . 1 1 11 11 GLU HB3 H 1 1.800 0.02 . 1 . . . . . 44 GLU HB3 . 16686 1 124 . 1 1 11 11 GLU HG2 H 1 2.094 0.02 . 1 . . . . . 44 GLU HG2 . 16686 1 125 . 1 1 11 11 GLU HG3 H 1 1.996 0.02 . 1 . . . . . 44 GLU HG3 . 16686 1 126 . 1 1 11 11 GLU C C 13 174.103 0.2 . 1 . . . . . 44 GLU C . 16686 1 127 . 1 1 11 11 GLU CA C 13 53.067 0.2 . 1 . . . . . 44 GLU CA . 16686 1 128 . 1 1 11 11 GLU CB C 13 33.857 0.2 . 1 . . . . . 44 GLU CB . 16686 1 129 . 1 1 11 11 GLU CG C 13 35.885 0.2 . 1 . . . . . 44 GLU CG . 16686 1 130 . 1 1 11 11 GLU N N 15 124.258 0.2 . 1 . . . . . 44 GLU N . 16686 1 131 . 1 1 12 12 TYR H H 1 9.238 0.02 . 1 . . . . . 45 TYR H . 16686 1 132 . 1 1 12 12 TYR HA H 1 5.376 0.02 . 1 . . . . . 45 TYR HA . 16686 1 133 . 1 1 12 12 TYR HB2 H 1 2.802 0.02 . 1 . . . . . 45 TYR HB2 . 16686 1 134 . 1 1 12 12 TYR HB3 H 1 2.630 0.02 . 1 . . . . . 45 TYR HB3 . 16686 1 135 . 1 1 12 12 TYR HD1 H 1 7.146 0.02 . 1 . . . . . 45 TYR HD1 . 16686 1 136 . 1 1 12 12 TYR HD2 H 1 7.146 0.02 . 1 . . . . . 45 TYR HD2 . 16686 1 137 . 1 1 12 12 TYR HE1 H 1 6.686 0.02 . 1 . . . . . 45 TYR HE1 . 16686 1 138 . 1 1 12 12 TYR HE2 H 1 6.686 0.02 . 1 . . . . . 45 TYR HE2 . 16686 1 139 . 1 1 12 12 TYR C C 13 175.353 0.2 . 1 . . . . . 45 TYR C . 16686 1 140 . 1 1 12 12 TYR CA C 13 56.168 0.2 . 1 . . . . . 45 TYR CA . 16686 1 141 . 1 1 12 12 TYR CB C 13 38.693 0.2 . 1 . . . . . 45 TYR CB . 16686 1 142 . 1 1 12 12 TYR CE1 C 13 118.373 0.2 . 1 . . . . . 45 TYR CE1 . 16686 1 143 . 1 1 12 12 TYR CE2 C 13 118.373 0.2 . 1 . . . . . 45 TYR CE2 . 16686 1 144 . 1 1 12 12 TYR N N 15 122.479 0.2 . 1 . . . . . 45 TYR N . 16686 1 145 . 1 1 13 13 VAL H H 1 9.256 0.02 . 1 . . . . . 46 VAL H . 16686 1 146 . 1 1 13 13 VAL HA H 1 5.574 0.02 . 1 . . . . . 46 VAL HA . 16686 1 147 . 1 1 13 13 VAL HB H 1 1.881 0.02 . 1 . . . . . 46 VAL HB . 16686 1 148 . 1 1 13 13 VAL HG11 H 1 0.686 0.02 . 1 . . . . . 46 VAL HG1 . 16686 1 149 . 1 1 13 13 VAL HG12 H 1 0.686 0.02 . 1 . . . . . 46 VAL HG1 . 16686 1 150 . 1 1 13 13 VAL HG13 H 1 0.686 0.02 . 1 . . . . . 46 VAL HG1 . 16686 1 151 . 1 1 13 13 VAL HG21 H 1 0.893 0.02 . 1 . . . . . 46 VAL HG2 . 16686 1 152 . 1 1 13 13 VAL HG22 H 1 0.893 0.02 . 1 . . . . . 46 VAL HG2 . 16686 1 153 . 1 1 13 13 VAL HG23 H 1 0.893 0.02 . 1 . . . . . 46 VAL HG2 . 16686 1 154 . 1 1 13 13 VAL C C 13 174.728 0.2 . 1 . . . . . 46 VAL C . 16686 1 155 . 1 1 13 13 VAL CA C 13 57.880 0.2 . 1 . . . . . 46 VAL CA . 16686 1 156 . 1 1 13 13 VAL CB C 13 36.578 0.2 . 1 . . . . . 46 VAL CB . 16686 1 157 . 1 1 13 13 VAL CG1 C 13 20.847 0.2 . 1 . . . . . 46 VAL CG1 . 16686 1 158 . 1 1 13 13 VAL CG2 C 13 19.212 0.2 . 1 . . . . . 46 VAL CG2 . 16686 1 159 . 1 1 13 13 VAL N N 15 115.523 0.2 . 1 . . . . . 46 VAL N . 16686 1 160 . 1 1 14 14 ASP H H 1 8.509 0.02 . 1 . . . . . 47 ASP H . 16686 1 161 . 1 1 14 14 ASP HA H 1 5.563 0.02 . 1 . . . . . 47 ASP HA . 16686 1 162 . 1 1 14 14 ASP HB2 H 1 3.585 0.02 . 2 . . . . . 47 ASP HB2 . 16686 1 163 . 1 1 14 14 ASP HB3 H 1 2.672 0.02 . 2 . . . . . 47 ASP HB3 . 16686 1 164 . 1 1 14 14 ASP C C 13 179.104 0.2 . 1 . . . . . 47 ASP C . 16686 1 165 . 1 1 14 14 ASP CA C 13 51.665 0.2 . 1 . . . . . 47 ASP CA . 16686 1 166 . 1 1 14 14 ASP CB C 13 41.659 0.2 . 1 . . . . . 47 ASP CB . 16686 1 167 . 1 1 14 14 ASP N N 15 118.600 0.2 . 1 . . . . . 47 ASP N . 16686 1 168 . 1 1 15 15 ALA H H 1 7.902 0.02 . 1 . . . . . 48 ALA H . 16686 1 169 . 1 1 15 15 ALA HA H 1 3.920 0.02 . 1 . . . . . 48 ALA HA . 16686 1 170 . 1 1 15 15 ALA HB1 H 1 1.561 0.02 . 1 . . . . . 48 ALA HB . 16686 1 171 . 1 1 15 15 ALA HB2 H 1 1.561 0.02 . 1 . . . . . 48 ALA HB . 16686 1 172 . 1 1 15 15 ALA HB3 H 1 1.561 0.02 . 1 . . . . . 48 ALA HB . 16686 1 173 . 1 1 15 15 ALA C C 13 178.479 0.2 . 1 . . . . . 48 ALA C . 16686 1 174 . 1 1 15 15 ALA CA C 13 54.456 0.2 . 1 . . . . . 48 ALA CA . 16686 1 175 . 1 1 15 15 ALA CB C 13 19.378 0.2 . 1 . . . . . 48 ALA CB . 16686 1 176 . 1 1 15 15 ALA N N 15 119.314 0.2 . 1 . . . . . 48 ALA N . 16686 1 177 . 1 1 16 16 ASP H H 1 8.041 0.02 . 1 . . . . . 49 ASP H . 16686 1 178 . 1 1 16 16 ASP HA H 1 4.842 0.02 . 1 . . . . . 49 ASP HA . 16686 1 179 . 1 1 16 16 ASP HB2 H 1 2.732 0.02 . 1 . . . . . 49 ASP HB2 . 16686 1 180 . 1 1 16 16 ASP HB3 H 1 2.907 0.02 . 1 . . . . . 49 ASP HB3 . 16686 1 181 . 1 1 16 16 ASP C C 13 176.682 0.2 . 1 . . . . . 49 ASP C . 16686 1 182 . 1 1 16 16 ASP CA C 13 54.000 0.2 . 1 . . . . . 49 ASP CA . 16686 1 183 . 1 1 16 16 ASP CB C 13 41.715 0.2 . 1 . . . . . 49 ASP CB . 16686 1 184 . 1 1 16 16 ASP N N 15 115.346 0.2 . 1 . . . . . 49 ASP N . 16686 1 185 . 1 1 17 17 GLY H H 1 8.297 0.02 . 1 . . . . . 50 GLY H . 16686 1 186 . 1 1 17 17 GLY HA2 H 1 3.416 0.02 . 1 . . . . . 50 GLY HA2 . 16686 1 187 . 1 1 17 17 GLY HA3 H 1 4.250 0.02 . 1 . . . . . 50 GLY HA3 . 16686 1 188 . 1 1 17 17 GLY C C 13 173.400 0.2 . 1 . . . . . 50 GLY C . 16686 1 189 . 1 1 17 17 GLY CA C 13 45.127 0.2 . 1 . . . . . 50 GLY CA . 16686 1 190 . 1 1 17 17 GLY N N 15 109.577 0.2 . 1 . . . . . 50 GLY N . 16686 1 191 . 1 1 18 18 ALA H H 1 8.500 0.02 . 1 . . . . . 51 ALA H . 16686 1 192 . 1 1 18 18 ALA HA H 1 4.358 0.02 . 1 . . . . . 51 ALA HA . 16686 1 193 . 1 1 18 18 ALA HB1 H 1 1.365 0.02 . 1 . . . . . 51 ALA HB . 16686 1 194 . 1 1 18 18 ALA HB2 H 1 1.365 0.02 . 1 . . . . . 51 ALA HB . 16686 1 195 . 1 1 18 18 ALA HB3 H 1 1.365 0.02 . 1 . . . . . 51 ALA HB . 16686 1 196 . 1 1 18 18 ALA C C 13 177.307 0.2 . 1 . . . . . 51 ALA C . 16686 1 197 . 1 1 18 18 ALA CA C 13 51.322 0.2 . 1 . . . . . 51 ALA CA . 16686 1 198 . 1 1 18 18 ALA CB C 13 19.024 0.2 . 1 . . . . . 51 ALA CB . 16686 1 199 . 1 1 18 18 ALA N N 15 126.114 0.2 . 1 . . . . . 51 ALA N . 16686 1 200 . 1 1 19 19 GLU H H 1 8.523 0.02 . 1 . . . . . 52 GLU H . 16686 1 201 . 1 1 19 19 GLU HA H 1 4.494 0.02 . 1 . . . . . 52 GLU HA . 16686 1 202 . 1 1 19 19 GLU HB2 H 1 2.018 0.02 . 2 . . . . . 52 GLU HB2 . 16686 1 203 . 1 1 19 19 GLU HB3 H 1 2.018 0.02 . 2 . . . . . 52 GLU HB3 . 16686 1 204 . 1 1 19 19 GLU HG2 H 1 2.466 0.02 . 1 . . . . . 52 GLU HG2 . 16686 1 205 . 1 1 19 19 GLU HG3 H 1 2.114 0.02 . 1 . . . . . 52 GLU HG3 . 16686 1 206 . 1 1 19 19 GLU C C 13 178.479 0.2 . 1 . . . . . 52 GLU C . 16686 1 207 . 1 1 19 19 GLU CA C 13 57.662 0.2 . 1 . . . . . 52 GLU CA . 16686 1 208 . 1 1 19 19 GLU CB C 13 30.693 0.2 . 1 . . . . . 52 GLU CB . 16686 1 209 . 1 1 19 19 GLU CG C 13 37.602 0.2 . 1 . . . . . 52 GLU CG . 16686 1 210 . 1 1 19 19 GLU N N 15 120.446 0.2 . 1 . . . . . 52 GLU N . 16686 1 211 . 1 1 20 20 ILE H H 1 8.833 0.02 . 1 . . . . . 53 ILE H . 16686 1 212 . 1 1 20 20 ILE HA H 1 4.377 0.02 . 1 . . . . . 53 ILE HA . 16686 1 213 . 1 1 20 20 ILE HB H 1 1.429 0.02 . 1 . . . . . 53 ILE HB . 16686 1 214 . 1 1 20 20 ILE HD11 H 1 -0.578 0.02 . 1 . . . . . 53 ILE HD1 . 16686 1 215 . 1 1 20 20 ILE HD12 H 1 -0.578 0.02 . 1 . . . . . 53 ILE HD1 . 16686 1 216 . 1 1 20 20 ILE HD13 H 1 -0.578 0.02 . 1 . . . . . 53 ILE HD1 . 16686 1 217 . 1 1 20 20 ILE HG12 H 1 0.386 0.02 . 2 . . . . . 53 ILE HG12 . 16686 1 218 . 1 1 20 20 ILE HG13 H 1 0.386 0.02 . 2 . . . . . 53 ILE HG13 . 16686 1 219 . 1 1 20 20 ILE HG21 H 1 0.565 0.02 . 1 . . . . . 53 ILE HG2 . 16686 1 220 . 1 1 20 20 ILE HG22 H 1 0.565 0.02 . 1 . . . . . 53 ILE HG2 . 16686 1 221 . 1 1 20 20 ILE HG23 H 1 0.565 0.02 . 1 . . . . . 53 ILE HG2 . 16686 1 222 . 1 1 20 20 ILE C C 13 174.572 0.2 . 1 . . . . . 53 ILE C . 16686 1 223 . 1 1 20 20 ILE CA C 13 60.900 0.2 . 1 . . . . . 53 ILE CA . 16686 1 224 . 1 1 20 20 ILE CB C 13 39.300 0.2 . 1 . . . . . 53 ILE CB . 16686 1 225 . 1 1 20 20 ILE CD1 C 13 13.294 0.2 . 1 . . . . . 53 ILE CD1 . 16686 1 226 . 1 1 20 20 ILE CG1 C 13 24.697 0.2 . 1 . . . . . 53 ILE CG1 . 16686 1 227 . 1 1 20 20 ILE CG2 C 13 17.981 0.2 . 1 . . . . . 53 ILE CG2 . 16686 1 228 . 1 1 20 20 ILE N N 15 117.988 0.2 . 1 . . . . . 53 ILE N . 16686 1 229 . 1 1 21 21 ALA H H 1 7.809 0.02 . 1 . . . . . 54 ALA H . 16686 1 230 . 1 1 21 21 ALA HA H 1 4.492 0.02 . 1 . . . . . 54 ALA HA . 16686 1 231 . 1 1 21 21 ALA HB1 H 1 0.969 0.02 . 1 . . . . . 54 ALA HB . 16686 1 232 . 1 1 21 21 ALA HB2 H 1 0.969 0.02 . 1 . . . . . 54 ALA HB . 16686 1 233 . 1 1 21 21 ALA HB3 H 1 0.969 0.02 . 1 . . . . . 54 ALA HB . 16686 1 234 . 1 1 21 21 ALA C C 13 172.830 0.2 . 1 . . . . . 54 ALA C . 16686 1 235 . 1 1 21 21 ALA CA C 13 50.508 0.2 . 1 . . . . . 54 ALA CA . 16686 1 236 . 1 1 21 21 ALA CB C 13 19.707 0.2 . 1 . . . . . 54 ALA CB . 16686 1 237 . 1 1 21 21 ALA N N 15 122.685 0.2 . 1 . . . . . 54 ALA N . 16686 1 238 . 1 1 22 22 PRO HA H 1 4.459 0.02 . 1 . . . . . 55 PRO HA . 16686 1 239 . 1 1 22 22 PRO HB2 H 1 2.398 0.02 . 1 . . . . . 55 PRO HB2 . 16686 1 240 . 1 1 22 22 PRO HB3 H 1 1.842 0.02 . 1 . . . . . 55 PRO HB3 . 16686 1 241 . 1 1 22 22 PRO HD2 H 1 3.703 0.02 . 2 . . . . . 55 PRO HD2 . 16686 1 242 . 1 1 22 22 PRO HD3 H 1 3.400 0.02 . 2 . . . . . 55 PRO HD3 . 16686 1 243 . 1 1 22 22 PRO HG2 H 1 2.022 0.02 . 2 . . . . . 55 PRO HG2 . 16686 1 244 . 1 1 22 22 PRO HG3 H 1 1.929 0.02 . 2 . . . . . 55 PRO HG3 . 16686 1 245 . 1 1 22 22 PRO C C 13 176.178 0.2 . 1 . . . . . 55 PRO C . 16686 1 246 . 1 1 22 22 PRO CA C 13 62.696 0.2 . 1 . . . . . 55 PRO CA . 16686 1 247 . 1 1 22 22 PRO CB C 13 32.050 0.2 . 1 . . . . . 55 PRO CB . 16686 1 248 . 1 1 22 22 PRO CD C 13 50.298 0.2 . 1 . . . . . 55 PRO CD . 16686 1 249 . 1 1 22 22 PRO CG C 13 27.614 0.2 . 1 . . . . . 55 PRO CG . 16686 1 250 . 1 1 23 23 SER H H 1 8.444 0.02 . 1 . . . . . 56 SER H . 16686 1 251 . 1 1 23 23 SER HA H 1 5.021 0.02 . 1 . . . . . 56 SER HA . 16686 1 252 . 1 1 23 23 SER HB2 H 1 4.035 0.02 . 2 . . . . . 56 SER HB2 . 16686 1 253 . 1 1 23 23 SER HB3 H 1 4.035 0.02 . 2 . . . . . 56 SER HB3 . 16686 1 254 . 1 1 23 23 SER C C 13 174.963 0.2 . 1 . . . . . 56 SER C . 16686 1 255 . 1 1 23 23 SER CA C 13 58.371 0.2 . 1 . . . . . 56 SER CA . 16686 1 256 . 1 1 23 23 SER CB C 13 64.400 0.2 . 1 . . . . . 56 SER CB . 16686 1 257 . 1 1 23 23 SER N N 15 117.364 0.2 . 1 . . . . . 56 SER N . 16686 1 258 . 1 1 24 24 ASP H H 1 9.049 0.02 . 1 . . . . . 57 ASP H . 16686 1 259 . 1 1 24 24 ASP HA H 1 5.377 0.02 . 1 . . . . . 57 ASP HA . 16686 1 260 . 1 1 24 24 ASP HB2 H 1 2.529 0.02 . 1 . . . . . 57 ASP HB2 . 16686 1 261 . 1 1 24 24 ASP HB3 H 1 2.722 0.02 . 1 . . . . . 57 ASP HB3 . 16686 1 262 . 1 1 24 24 ASP C C 13 175.275 0.2 . 1 . . . . . 57 ASP C . 16686 1 263 . 1 1 24 24 ASP CA C 13 53.399 0.2 . 1 . . . . . 57 ASP CA . 16686 1 264 . 1 1 24 24 ASP CB C 13 45.501 0.2 . 1 . . . . . 57 ASP CB . 16686 1 265 . 1 1 24 24 ASP N N 15 121.027 0.2 . 1 . . . . . 57 ASP N . 16686 1 266 . 1 1 25 25 THR H H 1 8.632 0.02 . 1 . . . . . 58 THR H . 16686 1 267 . 1 1 25 25 THR HA H 1 5.237 0.02 . 1 . . . . . 58 THR HA . 16686 1 268 . 1 1 25 25 THR HB H 1 3.913 0.02 . 1 . . . . . 58 THR HB . 16686 1 269 . 1 1 25 25 THR HG21 H 1 1.095 0.02 . 1 . . . . . 58 THR HG2 . 16686 1 270 . 1 1 25 25 THR HG22 H 1 1.095 0.02 . 1 . . . . . 58 THR HG2 . 16686 1 271 . 1 1 25 25 THR HG23 H 1 1.095 0.02 . 1 . . . . . 58 THR HG2 . 16686 1 272 . 1 1 25 25 THR C C 13 173.860 0.2 . 1 . . . . . 58 THR C . 16686 1 273 . 1 1 25 25 THR CA C 13 61.482 0.2 . 1 . . . . . 58 THR CA . 16686 1 274 . 1 1 25 25 THR CB C 13 70.930 0.2 . 1 . . . . . 58 THR CB . 16686 1 275 . 1 1 25 25 THR CG2 C 13 21.109 0.2 . 1 . . . . . 58 THR CG2 . 16686 1 276 . 1 1 25 25 THR N N 15 115.779 0.2 . 1 . . . . . 58 THR N . 16686 1 277 . 1 1 26 26 LEU H H 1 9.501 0.02 . 1 . . . . . 59 LEU H . 16686 1 278 . 1 1 26 26 LEU HA H 1 4.924 0.02 . 1 . . . . . 59 LEU HA . 16686 1 279 . 1 1 26 26 LEU HB2 H 1 1.520 0.02 . 1 . . . . . 59 LEU HB2 . 16686 1 280 . 1 1 26 26 LEU HB3 H 1 1.700 0.02 . 1 . . . . . 59 LEU HB3 . 16686 1 281 . 1 1 26 26 LEU HD11 H 1 0.755 0.02 . 1 . . . . . 59 LEU HD1 . 16686 1 282 . 1 1 26 26 LEU HD12 H 1 0.755 0.02 . 1 . . . . . 59 LEU HD1 . 16686 1 283 . 1 1 26 26 LEU HD13 H 1 0.755 0.02 . 1 . . . . . 59 LEU HD1 . 16686 1 284 . 1 1 26 26 LEU HD21 H 1 0.937 0.02 . 1 . . . . . 59 LEU HD2 . 16686 1 285 . 1 1 26 26 LEU HD22 H 1 0.937 0.02 . 1 . . . . . 59 LEU HD2 . 16686 1 286 . 1 1 26 26 LEU HD23 H 1 0.937 0.02 . 1 . . . . . 59 LEU HD2 . 16686 1 287 . 1 1 26 26 LEU HG H 1 1.508 0.02 . 1 . . . . . 59 LEU HG . 16686 1 288 . 1 1 26 26 LEU C C 13 176.994 0.2 . 1 . . . . . 59 LEU C . 16686 1 289 . 1 1 26 26 LEU CA C 13 53.223 0.2 . 1 . . . . . 59 LEU CA . 16686 1 290 . 1 1 26 26 LEU CB C 13 42.541 0.2 . 1 . . . . . 59 LEU CB . 16686 1 291 . 1 1 26 26 LEU CD1 C 13 26.249 0.2 . 1 . . . . . 59 LEU CD1 . 16686 1 292 . 1 1 26 26 LEU CD2 C 13 21.781 0.2 . 1 . . . . . 59 LEU CD2 . 16686 1 293 . 1 1 26 26 LEU CG C 13 26.938 0.2 . 1 . . . . . 59 LEU CG . 16686 1 294 . 1 1 26 26 LEU N N 15 126.558 0.2 . 1 . . . . . 59 LEU N . 16686 1 295 . 1 1 27 27 THR H H 1 8.378 0.02 . 1 . . . . . 60 THR H . 16686 1 296 . 1 1 27 27 THR HA H 1 4.519 0.02 . 1 . . . . . 60 THR HA . 16686 1 297 . 1 1 27 27 THR HB H 1 4.445 0.02 . 1 . . . . . 60 THR HB . 16686 1 298 . 1 1 27 27 THR HG21 H 1 1.094 0.02 . 1 . . . . . 60 THR HG2 . 16686 1 299 . 1 1 27 27 THR HG22 H 1 1.094 0.02 . 1 . . . . . 60 THR HG2 . 16686 1 300 . 1 1 27 27 THR HG23 H 1 1.094 0.02 . 1 . . . . . 60 THR HG2 . 16686 1 301 . 1 1 27 27 THR C C 13 174.733 0.2 . 1 . . . . . 60 THR C . 16686 1 302 . 1 1 27 27 THR CA C 13 60.962 0.2 . 1 . . . . . 60 THR CA . 16686 1 303 . 1 1 27 27 THR CB C 13 69.913 0.2 . 1 . . . . . 60 THR CB . 16686 1 304 . 1 1 27 27 THR CG2 C 13 21.388 0.2 . 1 . . . . . 60 THR CG2 . 16686 1 305 . 1 1 27 27 THR N N 15 108.431 0.2 . 1 . . . . . 60 THR N . 16686 1 306 . 1 1 28 28 ASP H H 1 7.623 0.02 . 1 . . . . . 61 ASP H . 16686 1 307 . 1 1 28 28 ASP HA H 1 4.514 0.02 . 1 . . . . . 61 ASP HA . 16686 1 308 . 1 1 28 28 ASP HB2 H 1 2.504 0.02 . 1 . . . . . 61 ASP HB2 . 16686 1 309 . 1 1 28 28 ASP HB3 H 1 2.766 0.02 . 1 . . . . . 61 ASP HB3 . 16686 1 310 . 1 1 28 28 ASP C C 13 173.634 0.2 . 1 . . . . . 61 ASP C . 16686 1 311 . 1 1 28 28 ASP CA C 13 54.492 0.2 . 1 . . . . . 61 ASP CA . 16686 1 312 . 1 1 28 28 ASP CB C 13 42.400 0.2 . 1 . . . . . 61 ASP CB . 16686 1 313 . 1 1 28 28 ASP N N 15 124.501 0.2 . 1 . . . . . 61 ASP N . 16686 1 314 . 1 1 29 29 TYR H H 1 8.221 0.02 . 1 . . . . . 62 TYR H . 16686 1 315 . 1 1 29 29 TYR HA H 1 3.962 0.02 . 1 . . . . . 62 TYR HA . 16686 1 316 . 1 1 29 29 TYR HB2 H 1 3.240 0.02 . 1 . . . . . 62 TYR HB2 . 16686 1 317 . 1 1 29 29 TYR HB3 H 1 2.633 0.02 . 1 . . . . . 62 TYR HB3 . 16686 1 318 . 1 1 29 29 TYR HD1 H 1 6.835 0.02 . 1 . . . . . 62 TYR HD1 . 16686 1 319 . 1 1 29 29 TYR HD2 H 1 6.835 0.02 . 1 . . . . . 62 TYR HD2 . 16686 1 320 . 1 1 29 29 TYR HE1 H 1 6.626 0.02 . 1 . . . . . 62 TYR HE1 . 16686 1 321 . 1 1 29 29 TYR HE2 H 1 6.626 0.02 . 1 . . . . . 62 TYR HE2 . 16686 1 322 . 1 1 29 29 TYR C C 13 176.213 0.2 . 1 . . . . . 62 TYR C . 16686 1 323 . 1 1 29 29 TYR CA C 13 62.010 0.2 . 1 . . . . . 62 TYR CA . 16686 1 324 . 1 1 29 29 TYR CB C 13 38.271 0.2 . 1 . . . . . 62 TYR CB . 16686 1 325 . 1 1 29 29 TYR CD1 C 13 132.820 0.2 . 1 . . . . . 62 TYR CD1 . 16686 1 326 . 1 1 29 29 TYR CD2 C 13 132.820 0.2 . 1 . . . . . 62 TYR CD2 . 16686 1 327 . 1 1 29 29 TYR CE1 C 13 117.706 0.2 . 1 . . . . . 62 TYR CE1 . 16686 1 328 . 1 1 29 29 TYR CE2 C 13 117.706 0.2 . 1 . . . . . 62 TYR CE2 . 16686 1 329 . 1 1 29 29 TYR N N 15 119.825 0.2 . 1 . . . . . 62 TYR N . 16686 1 330 . 1 1 30 30 HIS H H 1 8.076 0.02 . 1 . . . . . 63 HIS H . 16686 1 331 . 1 1 30 30 HIS HA H 1 5.275 0.02 . 1 . . . . . 63 HIS HA . 16686 1 332 . 1 1 30 30 HIS HB2 H 1 3.127 0.02 . 2 . . . . . 63 HIS HB2 . 16686 1 333 . 1 1 30 30 HIS HB3 H 1 3.127 0.02 . 2 . . . . . 63 HIS HB3 . 16686 1 334 . 1 1 30 30 HIS HD2 H 1 7.205 0.02 . 1 . . . . . 63 HIS HD2 . 16686 1 335 . 1 1 30 30 HIS HE1 H 1 8.466 0.02 . 1 . . . . . 63 HIS HE1 . 16686 1 336 . 1 1 30 30 HIS C C 13 173.166 0.2 . 1 . . . . . 63 HIS C . 16686 1 337 . 1 1 30 30 HIS CA C 13 53.180 0.2 . 1 . . . . . 63 HIS CA . 16686 1 338 . 1 1 30 30 HIS CB C 13 27.233 0.2 . 1 . . . . . 63 HIS CB . 16686 1 339 . 1 1 30 30 HIS CD2 C 13 120.429 0.2 . 1 . . . . . 63 HIS CD2 . 16686 1 340 . 1 1 30 30 HIS CE1 C 13 135.915 0.2 . 1 . . . . . 63 HIS CE1 . 16686 1 341 . 1 1 30 30 HIS N N 15 113.752 0.2 . 1 . . . . . 63 HIS N . 16686 1 342 . 1 1 30 30 HIS ND1 N 15 178.593 0.2 . 1 . . . . . 63 HIS ND1 . 16686 1 343 . 1 1 30 30 HIS NE2 N 15 177.833 0.2 . 1 . . . . . 63 HIS NE2 . 16686 1 344 . 1 1 31 31 TYR H H 1 8.262 0.02 . 1 . . . . . 64 TYR H . 16686 1 345 . 1 1 31 31 TYR HA H 1 4.750 0.02 . 1 . . . . . 64 TYR HA . 16686 1 346 . 1 1 31 31 TYR HB2 H 1 3.084 0.02 . 2 . . . . . 64 TYR HB2 . 16686 1 347 . 1 1 31 31 TYR HB3 H 1 2.875 0.02 . 2 . . . . . 64 TYR HB3 . 16686 1 348 . 1 1 31 31 TYR HD1 H 1 6.570 0.02 . 1 . . . . . 64 TYR HD1 . 16686 1 349 . 1 1 31 31 TYR HD2 H 1 6.570 0.02 . 1 . . . . . 64 TYR HD2 . 16686 1 350 . 1 1 31 31 TYR HE1 H 1 6.215 0.02 . 1 . . . . . 64 TYR HE1 . 16686 1 351 . 1 1 31 31 TYR HE2 H 1 6.215 0.02 . 1 . . . . . 64 TYR HE2 . 16686 1 352 . 1 1 31 31 TYR C C 13 174.494 0.2 . 1 . . . . . 64 TYR C . 16686 1 353 . 1 1 31 31 TYR CA C 13 56.691 0.2 . 1 . . . . . 64 TYR CA . 16686 1 354 . 1 1 31 31 TYR CB C 13 38.804 0.2 . 1 . . . . . 64 TYR CB . 16686 1 355 . 1 1 31 31 TYR CD1 C 13 133.935 0.2 . 1 . . . . . 64 TYR CD1 . 16686 1 356 . 1 1 31 31 TYR CD2 C 13 133.935 0.2 . 1 . . . . . 64 TYR CD2 . 16686 1 357 . 1 1 31 31 TYR N N 15 124.502 0.2 . 1 . . . . . 64 TYR N . 16686 1 358 . 1 1 32 32 VAL H H 1 8.640 0.02 . 1 . . . . . 65 VAL H . 16686 1 359 . 1 1 32 32 VAL HA H 1 4.134 0.02 . 1 . . . . . 65 VAL HA . 16686 1 360 . 1 1 32 32 VAL HB H 1 2.011 0.02 . 1 . . . . . 65 VAL HB . 16686 1 361 . 1 1 32 32 VAL HG11 H 1 0.869 0.02 . 1 . . . . . 65 VAL HG1 . 16686 1 362 . 1 1 32 32 VAL HG12 H 1 0.869 0.02 . 1 . . . . . 65 VAL HG1 . 16686 1 363 . 1 1 32 32 VAL HG13 H 1 0.869 0.02 . 1 . . . . . 65 VAL HG1 . 16686 1 364 . 1 1 32 32 VAL HG21 H 1 0.816 0.02 . 1 . . . . . 65 VAL HG2 . 16686 1 365 . 1 1 32 32 VAL HG22 H 1 0.816 0.02 . 1 . . . . . 65 VAL HG2 . 16686 1 366 . 1 1 32 32 VAL HG23 H 1 0.816 0.02 . 1 . . . . . 65 VAL HG2 . 16686 1 367 . 1 1 32 32 VAL C C 13 174.650 0.2 . 1 . . . . . 65 VAL C . 16686 1 368 . 1 1 32 32 VAL CA C 13 62.005 0.2 . 1 . . . . . 65 VAL CA . 16686 1 369 . 1 1 32 32 VAL CB C 13 34.816 0.2 . 1 . . . . . 65 VAL CB . 16686 1 370 . 1 1 32 32 VAL CG1 C 13 20.723 0.2 . 1 . . . . . 65 VAL CG1 . 16686 1 371 . 1 1 32 32 VAL CG2 C 13 20.404 0.2 . 1 . . . . . 65 VAL CG2 . 16686 1 372 . 1 1 32 32 VAL N N 15 121.666 0.2 . 1 . . . . . 65 VAL N . 16686 1 373 . 1 1 33 33 SER H H 1 7.907 0.02 . 1 . . . . . 66 SER H . 16686 1 374 . 1 1 33 33 SER HA H 1 4.980 0.02 . 1 . . . . . 66 SER HA . 16686 1 375 . 1 1 33 33 SER HB2 H 1 3.949 0.02 . 2 . . . . . 66 SER HB2 . 16686 1 376 . 1 1 33 33 SER HB3 H 1 4.513 0.02 . 2 . . . . . 66 SER HB3 . 16686 1 377 . 1 1 33 33 SER C C 13 171.993 0.2 . 1 . . . . . 66 SER C . 16686 1 378 . 1 1 33 33 SER CA C 13 57.059 0.2 . 1 . . . . . 66 SER CA . 16686 1 379 . 1 1 33 33 SER CB C 13 66.782 0.2 . 1 . . . . . 66 SER CB . 16686 1 380 . 1 1 33 33 SER N N 15 121.081 0.2 . 1 . . . . . 66 SER N . 16686 1 381 . 1 1 34 34 THR H H 1 9.114 0.02 . 1 . . . . . 67 THR H . 16686 1 382 . 1 1 34 34 THR HA H 1 4.884 0.02 . 1 . . . . . 67 THR HA . 16686 1 383 . 1 1 34 34 THR HB H 1 4.027 0.02 . 1 . . . . . 67 THR HB . 16686 1 384 . 1 1 34 34 THR HG21 H 1 1.170 0.02 . 1 . . . . . 67 THR HG2 . 16686 1 385 . 1 1 34 34 THR HG22 H 1 1.170 0.02 . 1 . . . . . 67 THR HG2 . 16686 1 386 . 1 1 34 34 THR HG23 H 1 1.170 0.02 . 1 . . . . . 67 THR HG2 . 16686 1 387 . 1 1 34 34 THR C C 13 171.561 0.2 . 1 . . . . . 67 THR C . 16686 1 388 . 1 1 34 34 THR CA C 13 58.569 0.2 . 1 . . . . . 67 THR CA . 16686 1 389 . 1 1 34 34 THR CB C 13 71.303 0.2 . 1 . . . . . 67 THR CB . 16686 1 390 . 1 1 34 34 THR CG2 C 13 21.421 0.2 . 1 . . . . . 67 THR CG2 . 16686 1 391 . 1 1 34 34 THR N N 15 114.322 0.2 . 1 . . . . . 67 THR N . 16686 1 392 . 1 1 35 35 PRO HA H 1 3.424 0.02 . 1 . . . . . 68 PRO HA . 16686 1 393 . 1 1 35 35 PRO HB2 H 1 1.880 0.02 . 2 . . . . . 68 PRO HB2 . 16686 1 394 . 1 1 35 35 PRO HB3 H 1 1.830 0.02 . 2 . . . . . 68 PRO HB3 . 16686 1 395 . 1 1 35 35 PRO HD2 H 1 3.803 0.02 . 1 . . . . . 68 PRO HD2 . 16686 1 396 . 1 1 35 35 PRO HD3 H 1 3.665 0.02 . 1 . . . . . 68 PRO HD3 . 16686 1 397 . 1 1 35 35 PRO HG2 H 1 2.040 0.02 . 1 . . . . . 68 PRO HG2 . 16686 1 398 . 1 1 35 35 PRO HG3 H 1 1.929 0.02 . 1 . . . . . 68 PRO HG3 . 16686 1 399 . 1 1 35 35 PRO C C 13 176.525 0.2 . 1 . . . . . 68 PRO C . 16686 1 400 . 1 1 35 35 PRO CA C 13 62.014 0.2 . 1 . . . . . 68 PRO CA . 16686 1 401 . 1 1 35 35 PRO CB C 13 31.800 0.2 . 1 . . . . . 68 PRO CB . 16686 1 402 . 1 1 35 35 PRO CD C 13 49.974 0.2 . 1 . . . . . 68 PRO CD . 16686 1 403 . 1 1 35 35 PRO CG C 13 26.580 0.2 . 1 . . . . . 68 PRO CG . 16686 1 404 . 1 1 36 36 LYS H H 1 5.957 0.02 . 1 . . . . . 69 LYS H . 16686 1 405 . 1 1 36 36 LYS HA H 1 4.178 0.02 . 1 . . . . . 69 LYS HA . 16686 1 406 . 1 1 36 36 LYS HB2 H 1 0.755 0.02 . 1 . . . . . 69 LYS HB2 . 16686 1 407 . 1 1 36 36 LYS HB3 H 1 1.209 0.02 . 1 . . . . . 69 LYS HB3 . 16686 1 408 . 1 1 36 36 LYS HD2 H 1 0.983 0.02 . 2 . . . . . 69 LYS HD2 . 16686 1 409 . 1 1 36 36 LYS HD3 H 1 0.092 0.02 . 2 . . . . . 69 LYS HD3 . 16686 1 410 . 1 1 36 36 LYS HE2 H 1 2.746 0.02 . 2 . . . . . 69 LYS HE2 . 16686 1 411 . 1 1 36 36 LYS HE3 H 1 2.540 0.02 . 2 . . . . . 69 LYS HE3 . 16686 1 412 . 1 1 36 36 LYS HG2 H 1 0.880 0.02 . 2 . . . . . 69 LYS HG2 . 16686 1 413 . 1 1 36 36 LYS HG3 H 1 0.742 0.02 . 2 . . . . . 69 LYS HG3 . 16686 1 414 . 1 1 36 36 LYS C C 13 177.151 0.2 . 1 . . . . . 69 LYS C . 16686 1 415 . 1 1 36 36 LYS CA C 13 55.470 0.2 . 1 . . . . . 69 LYS CA . 16686 1 416 . 1 1 36 36 LYS CB C 13 34.125 0.2 . 1 . . . . . 69 LYS CB . 16686 1 417 . 1 1 36 36 LYS CD C 13 28.638 0.2 . 1 . . . . . 69 LYS CD . 16686 1 418 . 1 1 36 36 LYS CE C 13 42.076 0.2 . 1 . . . . . 69 LYS CE . 16686 1 419 . 1 1 36 36 LYS CG C 13 26.117 0.2 . 1 . . . . . 69 LYS CG . 16686 1 420 . 1 1 36 36 LYS N N 15 119.398 0.2 . 1 . . . . . 69 LYS N . 16686 1 421 . 1 1 37 37 ASP H H 1 8.868 0.02 . 1 . . . . . 70 ASP H . 16686 1 422 . 1 1 37 37 ASP HA H 1 4.761 0.02 . 1 . . . . . 70 ASP HA . 16686 1 423 . 1 1 37 37 ASP HB2 H 1 2.666 0.02 . 2 . . . . . 70 ASP HB2 . 16686 1 424 . 1 1 37 37 ASP HB3 H 1 2.520 0.02 . 2 . . . . . 70 ASP HB3 . 16686 1 425 . 1 1 37 37 ASP C C 13 174.494 0.2 . 1 . . . . . 70 ASP C . 16686 1 426 . 1 1 37 37 ASP CA C 13 53.951 0.2 . 1 . . . . . 70 ASP CA . 16686 1 427 . 1 1 37 37 ASP CB C 13 40.671 0.2 . 1 . . . . . 70 ASP CB . 16686 1 428 . 1 1 37 37 ASP N N 15 125.665 0.2 . 1 . . . . . 70 ASP N . 16686 1 429 . 1 1 38 38 ILE H H 1 8.826 0.02 . 1 . . . . . 71 ILE H . 16686 1 430 . 1 1 38 38 ILE HA H 1 4.346 0.02 . 1 . . . . . 71 ILE HA . 16686 1 431 . 1 1 38 38 ILE HB H 1 1.188 0.02 . 1 . . . . . 71 ILE HB . 16686 1 432 . 1 1 38 38 ILE HD11 H 1 -0.271 0.02 . 1 . . . . . 71 ILE HD1 . 16686 1 433 . 1 1 38 38 ILE HD12 H 1 -0.271 0.02 . 1 . . . . . 71 ILE HD1 . 16686 1 434 . 1 1 38 38 ILE HD13 H 1 -0.271 0.02 . 1 . . . . . 71 ILE HD1 . 16686 1 435 . 1 1 38 38 ILE HG12 H 1 0.855 0.02 . 2 . . . . . 71 ILE HG12 . 16686 1 436 . 1 1 38 38 ILE HG13 H 1 0.349 0.02 . 2 . . . . . 71 ILE HG13 . 16686 1 437 . 1 1 38 38 ILE HG21 H 1 0.557 0.02 . 1 . . . . . 71 ILE HG2 . 16686 1 438 . 1 1 38 38 ILE HG22 H 1 0.557 0.02 . 1 . . . . . 71 ILE HG2 . 16686 1 439 . 1 1 38 38 ILE HG23 H 1 0.557 0.02 . 1 . . . . . 71 ILE HG2 . 16686 1 440 . 1 1 38 38 ILE C C 13 173.106 0.2 . 1 . . . . . 71 ILE C . 16686 1 441 . 1 1 38 38 ILE CA C 13 58.217 0.2 . 1 . . . . . 71 ILE CA . 16686 1 442 . 1 1 38 38 ILE CB C 13 39.314 0.2 . 1 . . . . . 71 ILE CB . 16686 1 443 . 1 1 38 38 ILE CD1 C 13 12.993 0.2 . 1 . . . . . 71 ILE CD1 . 16686 1 444 . 1 1 38 38 ILE CG1 C 13 26.913 0.2 . 1 . . . . . 71 ILE CG1 . 16686 1 445 . 1 1 38 38 ILE CG2 C 13 17.308 0.2 . 1 . . . . . 71 ILE CG2 . 16686 1 446 . 1 1 38 38 ILE N N 15 128.971 0.2 . 1 . . . . . 71 ILE N . 16686 1 447 . 1 1 39 39 PRO HA H 1 4.349 0.02 . 1 . . . . . 72 PRO HA . 16686 1 448 . 1 1 39 39 PRO HB2 H 1 2.319 0.02 . 2 . . . . . 72 PRO HB2 . 16686 1 449 . 1 1 39 39 PRO HB3 H 1 1.900 0.02 . 2 . . . . . 72 PRO HB3 . 16686 1 450 . 1 1 39 39 PRO HD2 H 1 3.833 0.02 . 2 . . . . . 72 PRO HD2 . 16686 1 451 . 1 1 39 39 PRO HD3 H 1 3.688 0.02 . 2 . . . . . 72 PRO HD3 . 16686 1 452 . 1 1 39 39 PRO HG2 H 1 2.116 0.02 . 2 . . . . . 72 PRO HG2 . 16686 1 453 . 1 1 39 39 PRO HG3 H 1 1.979 0.02 . 2 . . . . . 72 PRO HG3 . 16686 1 454 . 1 1 39 39 PRO C C 13 177.776 0.2 . 1 . . . . . 72 PRO C . 16686 1 455 . 1 1 39 39 PRO CA C 13 63.727 0.2 . 1 . . . . . 72 PRO CA . 16686 1 456 . 1 1 39 39 PRO CB C 13 31.754 0.2 . 1 . . . . . 72 PRO CB . 16686 1 457 . 1 1 39 39 PRO CD C 13 51.016 0.2 . 1 . . . . . 72 PRO CD . 16686 1 458 . 1 1 39 39 PRO CG C 13 27.287 0.2 . 1 . . . . . 72 PRO CG . 16686 1 459 . 1 1 40 40 GLY H H 1 8.962 0.02 . 1 . . . . . 73 GLY H . 16686 1 460 . 1 1 40 40 GLY HA2 H 1 3.552 0.02 . 1 . . . . . 73 GLY HA2 . 16686 1 461 . 1 1 40 40 GLY HA3 H 1 4.229 0.02 . 1 . . . . . 73 GLY HA3 . 16686 1 462 . 1 1 40 40 GLY C C 13 173.556 0.2 . 1 . . . . . 73 GLY C . 16686 1 463 . 1 1 40 40 GLY CA C 13 45.000 0.2 . 1 . . . . . 73 GLY CA . 16686 1 464 . 1 1 40 40 GLY N N 15 110.467 0.2 . 1 . . . . . 73 GLY N . 16686 1 465 . 1 1 41 41 TYR H H 1 8.296 0.02 . 1 . . . . . 74 TYR H . 16686 1 466 . 1 1 41 41 TYR HA H 1 5.184 0.02 . 1 . . . . . 74 TYR HA . 16686 1 467 . 1 1 41 41 TYR HB2 H 1 2.663 0.02 . 1 . . . . . 74 TYR HB2 . 16686 1 468 . 1 1 41 41 TYR HB3 H 1 2.886 0.02 . 1 . . . . . 74 TYR HB3 . 16686 1 469 . 1 1 41 41 TYR HD1 H 1 6.806 0.02 . 1 . . . . . 74 TYR HD1 . 16686 1 470 . 1 1 41 41 TYR HD2 H 1 6.806 0.02 . 1 . . . . . 74 TYR HD2 . 16686 1 471 . 1 1 41 41 TYR HE1 H 1 6.805 0.02 . 1 . . . . . 74 TYR HE1 . 16686 1 472 . 1 1 41 41 TYR HE2 H 1 6.805 0.02 . 1 . . . . . 74 TYR HE2 . 16686 1 473 . 1 1 41 41 TYR C C 13 174.572 0.2 . 1 . . . . . 74 TYR C . 16686 1 474 . 1 1 41 41 TYR CA C 13 57.526 0.2 . 1 . . . . . 74 TYR CA . 16686 1 475 . 1 1 41 41 TYR CB C 13 42.558 0.2 . 1 . . . . . 74 TYR CB . 16686 1 476 . 1 1 41 41 TYR CD1 C 13 133.187 0.2 . 1 . . . . . 74 TYR CD1 . 16686 1 477 . 1 1 41 41 TYR CD2 C 13 133.187 0.2 . 1 . . . . . 74 TYR CD2 . 16686 1 478 . 1 1 41 41 TYR CE1 C 13 117.331 0.2 . 1 . . . . . 74 TYR CE1 . 16686 1 479 . 1 1 41 41 TYR CE2 C 13 117.331 0.2 . 1 . . . . . 74 TYR CE2 . 16686 1 480 . 1 1 41 41 TYR N N 15 119.210 0.2 . 1 . . . . . 74 TYR N . 16686 1 481 . 1 1 42 42 LYS H H 1 9.474 0.02 . 1 . . . . . 75 LYS H . 16686 1 482 . 1 1 42 42 LYS HA H 1 4.945 0.02 . 1 . . . . . 75 LYS HA . 16686 1 483 . 1 1 42 42 LYS HB2 H 1 1.685 0.02 . 1 . . . . . 75 LYS HB2 . 16686 1 484 . 1 1 42 42 LYS HB3 H 1 1.870 0.02 . 1 . . . . . 75 LYS HB3 . 16686 1 485 . 1 1 42 42 LYS HD2 H 1 1.752 0.02 . 2 . . . . . 75 LYS HD2 . 16686 1 486 . 1 1 42 42 LYS HD3 H 1 1.701 0.02 . 2 . . . . . 75 LYS HD3 . 16686 1 487 . 1 1 42 42 LYS HE2 H 1 3.035 0.02 . 2 . . . . . 75 LYS HE2 . 16686 1 488 . 1 1 42 42 LYS HE3 H 1 3.035 0.02 . 2 . . . . . 75 LYS HE3 . 16686 1 489 . 1 1 42 42 LYS HG2 H 1 1.473 0.02 . 2 . . . . . 75 LYS HG2 . 16686 1 490 . 1 1 42 42 LYS HG3 H 1 1.397 0.02 . 2 . . . . . 75 LYS HG3 . 16686 1 491 . 1 1 42 42 LYS C C 13 175.744 0.2 . 1 . . . . . 75 LYS C . 16686 1 492 . 1 1 42 42 LYS CA C 13 54.280 0.2 . 1 . . . . . 75 LYS CA . 16686 1 493 . 1 1 42 42 LYS CB C 13 35.612 0.2 . 1 . . . . . 75 LYS CB . 16686 1 494 . 1 1 42 42 LYS CD C 13 29.159 0.2 . 1 . . . . . 75 LYS CD . 16686 1 495 . 1 1 42 42 LYS CE C 13 42.044 0.2 . 1 . . . . . 75 LYS CE . 16686 1 496 . 1 1 42 42 LYS CG C 13 24.278 0.2 . 1 . . . . . 75 LYS CG . 16686 1 497 . 1 1 42 42 LYS N N 15 121.574 0.2 . 1 . . . . . 75 LYS N . 16686 1 498 . 1 1 43 43 LEU H H 1 9.200 0.02 . 1 . . . . . 76 LEU H . 16686 1 499 . 1 1 43 43 LEU HA H 1 3.582 0.02 . 1 . . . . . 76 LEU HA . 16686 1 500 . 1 1 43 43 LEU HB2 H 1 1.239 0.02 . 1 . . . . . 76 LEU HB2 . 16686 1 501 . 1 1 43 43 LEU HB3 H 1 1.610 0.02 . 1 . . . . . 76 LEU HB3 . 16686 1 502 . 1 1 43 43 LEU HD11 H 1 0.619 0.02 . 1 . . . . . 76 LEU HD1 . 16686 1 503 . 1 1 43 43 LEU HD12 H 1 0.619 0.02 . 1 . . . . . 76 LEU HD1 . 16686 1 504 . 1 1 43 43 LEU HD13 H 1 0.619 0.02 . 1 . . . . . 76 LEU HD1 . 16686 1 505 . 1 1 43 43 LEU HD21 H 1 0.821 0.02 . 1 . . . . . 76 LEU HD2 . 16686 1 506 . 1 1 43 43 LEU HD22 H 1 0.821 0.02 . 1 . . . . . 76 LEU HD2 . 16686 1 507 . 1 1 43 43 LEU HD23 H 1 0.821 0.02 . 1 . . . . . 76 LEU HD2 . 16686 1 508 . 1 1 43 43 LEU HG H 1 1.227 0.02 . 1 . . . . . 76 LEU HG . 16686 1 509 . 1 1 43 43 LEU C C 13 176.838 0.2 . 1 . . . . . 76 LEU C . 16686 1 510 . 1 1 43 43 LEU CA C 13 55.942 0.2 . 1 . . . . . 76 LEU CA . 16686 1 511 . 1 1 43 43 LEU CB C 13 41.707 0.2 . 1 . . . . . 76 LEU CB . 16686 1 512 . 1 1 43 43 LEU CD1 C 13 23.157 0.2 . 1 . . . . . 76 LEU CD1 . 16686 1 513 . 1 1 43 43 LEU CD2 C 13 26.403 0.2 . 1 . . . . . 76 LEU CD2 . 16686 1 514 . 1 1 43 43 LEU CG C 13 26.470 0.2 . 1 . . . . . 76 LEU CG . 16686 1 515 . 1 1 43 43 LEU N N 15 131.746 0.2 . 1 . . . . . 76 LEU N . 16686 1 516 . 1 1 44 44 ARG H H 1 9.548 0.02 . 1 . . . . . 77 ARG H . 16686 1 517 . 1 1 44 44 ARG HA H 1 4.243 0.02 . 1 . . . . . 77 ARG HA . 16686 1 518 . 1 1 44 44 ARG HB2 H 1 1.614 0.02 . 1 . . . . . 77 ARG HB2 . 16686 1 519 . 1 1 44 44 ARG HB3 H 1 1.926 0.02 . 1 . . . . . 77 ARG HB3 . 16686 1 520 . 1 1 44 44 ARG HD2 H 1 3.218 0.02 . 2 . . . . . 77 ARG HD2 . 16686 1 521 . 1 1 44 44 ARG HD3 H 1 2.938 0.02 . 2 . . . . . 77 ARG HD3 . 16686 1 522 . 1 1 44 44 ARG HE H 1 8.152 0.02 . 1 . . . . . 77 ARG HE . 16686 1 523 . 1 1 44 44 ARG HG2 H 1 1.681 0.02 . 2 . . . . . 77 ARG HG2 . 16686 1 524 . 1 1 44 44 ARG HG3 H 1 1.597 0.02 . 2 . . . . . 77 ARG HG3 . 16686 1 525 . 1 1 44 44 ARG HH11 H 1 6.881 0.02 . 2 . . . . . 77 ARG HH11 . 16686 1 526 . 1 1 44 44 ARG HH12 H 1 6.881 0.02 . 2 . . . . . 77 ARG HH12 . 16686 1 527 . 1 1 44 44 ARG HH21 H 1 7.330 0.02 . 2 . . . . . 77 ARG HH21 . 16686 1 528 . 1 1 44 44 ARG HH22 H 1 7.330 0.02 . 2 . . . . . 77 ARG HH22 . 16686 1 529 . 1 1 44 44 ARG C C 13 176.213 0.2 . 1 . . . . . 77 ARG C . 16686 1 530 . 1 1 44 44 ARG CA C 13 59.233 0.2 . 1 . . . . . 77 ARG CA . 16686 1 531 . 1 1 44 44 ARG CB C 13 32.258 0.2 . 1 . . . . . 77 ARG CB . 16686 1 532 . 1 1 44 44 ARG CD C 13 44.119 0.2 . 1 . . . . . 77 ARG CD . 16686 1 533 . 1 1 44 44 ARG CG C 13 26.495 0.2 . 1 . . . . . 77 ARG CG . 16686 1 534 . 1 1 44 44 ARG N N 15 128.591 0.2 . 1 . . . . . 77 ARG N . 16686 1 535 . 1 1 44 44 ARG NE N 15 83.812 0.2 . 1 . . . . . 77 ARG NE . 16686 1 536 . 1 1 45 45 GLU H H 1 7.075 0.02 . 1 . . . . . 78 GLU H . 16686 1 537 . 1 1 45 45 GLU HA H 1 4.576 0.02 . 1 . . . . . 78 GLU HA . 16686 1 538 . 1 1 45 45 GLU HB2 H 1 1.859 0.02 . 2 . . . . . 78 GLU HB2 . 16686 1 539 . 1 1 45 45 GLU HB3 H 1 2.172 0.02 . 2 . . . . . 78 GLU HB3 . 16686 1 540 . 1 1 45 45 GLU HG2 H 1 1.974 0.02 . 2 . . . . . 78 GLU HG2 . 16686 1 541 . 1 1 45 45 GLU HG3 H 1 1.861 0.02 . 2 . . . . . 78 GLU HG3 . 16686 1 542 . 1 1 45 45 GLU C C 13 174.025 0.2 . 1 . . . . . 78 GLU C . 16686 1 543 . 1 1 45 45 GLU CA C 13 54.095 0.2 . 1 . . . . . 78 GLU CA . 16686 1 544 . 1 1 45 45 GLU CB C 13 31.305 0.2 . 1 . . . . . 78 GLU CB . 16686 1 545 . 1 1 45 45 GLU CG C 13 34.145 0.2 . 1 . . . . . 78 GLU CG . 16686 1 546 . 1 1 45 45 GLU N N 15 111.094 0.2 . 1 . . . . . 78 GLU N . 16686 1 547 . 1 1 46 46 ILE H H 1 8.717 0.02 . 1 . . . . . 79 ILE H . 16686 1 548 . 1 1 46 46 ILE HA H 1 4.464 0.02 . 1 . . . . . 79 ILE HA . 16686 1 549 . 1 1 46 46 ILE HB H 1 1.911 0.02 . 1 . . . . . 79 ILE HB . 16686 1 550 . 1 1 46 46 ILE HD11 H 1 0.935 0.02 . 1 . . . . . 79 ILE HD1 . 16686 1 551 . 1 1 46 46 ILE HD12 H 1 0.935 0.02 . 1 . . . . . 79 ILE HD1 . 16686 1 552 . 1 1 46 46 ILE HD13 H 1 0.935 0.02 . 1 . . . . . 79 ILE HD1 . 16686 1 553 . 1 1 46 46 ILE HG12 H 1 1.653 0.02 . 2 . . . . . 79 ILE HG12 . 16686 1 554 . 1 1 46 46 ILE HG13 H 1 1.309 0.02 . 2 . . . . . 79 ILE HG13 . 16686 1 555 . 1 1 46 46 ILE HG21 H 1 1.018 0.02 . 1 . . . . . 79 ILE HG2 . 16686 1 556 . 1 1 46 46 ILE HG22 H 1 1.018 0.02 . 1 . . . . . 79 ILE HG2 . 16686 1 557 . 1 1 46 46 ILE HG23 H 1 1.018 0.02 . 1 . . . . . 79 ILE HG2 . 16686 1 558 . 1 1 46 46 ILE C C 13 174.651 0.2 . 1 . . . . . 79 ILE C . 16686 1 559 . 1 1 46 46 ILE CA C 13 57.865 0.2 . 1 . . . . . 79 ILE CA . 16686 1 560 . 1 1 46 46 ILE CB C 13 37.605 0.2 . 1 . . . . . 79 ILE CB . 16686 1 561 . 1 1 46 46 ILE CD1 C 13 11.546 0.2 . 1 . . . . . 79 ILE CD1 . 16686 1 562 . 1 1 46 46 ILE CG1 C 13 27.623 0.2 . 1 . . . . . 79 ILE CG1 . 16686 1 563 . 1 1 46 46 ILE CG2 C 13 16.611 0.2 . 1 . . . . . 79 ILE CG2 . 16686 1 564 . 1 1 46 46 ILE N N 15 124.090 0.2 . 1 . . . . . 79 ILE N . 16686 1 565 . 1 1 47 47 PRO HA H 1 4.477 0.02 . 1 . . . . . 80 PRO HA . 16686 1 566 . 1 1 47 47 PRO HB2 H 1 1.637 0.02 . 1 . . . . . 80 PRO HB2 . 16686 1 567 . 1 1 47 47 PRO HB3 H 1 2.310 0.02 . 1 . . . . . 80 PRO HB3 . 16686 1 568 . 1 1 47 47 PRO HD2 H 1 3.119 0.02 . 1 . . . . . 80 PRO HD2 . 16686 1 569 . 1 1 47 47 PRO HD3 H 1 3.640 0.02 . 1 . . . . . 80 PRO HD3 . 16686 1 570 . 1 1 47 47 PRO HG2 H 1 0.802 0.02 . 1 . . . . . 80 PRO HG2 . 16686 1 571 . 1 1 47 47 PRO HG3 H 1 1.398 0.02 . 1 . . . . . 80 PRO HG3 . 16686 1 572 . 1 1 47 47 PRO C C 13 178.165 0.2 . 1 . . . . . 80 PRO C . 16686 1 573 . 1 1 47 47 PRO CA C 13 62.680 0.2 . 1 . . . . . 80 PRO CA . 16686 1 574 . 1 1 47 47 PRO CB C 13 32.497 0.2 . 1 . . . . . 80 PRO CB . 16686 1 575 . 1 1 47 47 PRO CD C 13 52.026 0.2 . 1 . . . . . 80 PRO CD . 16686 1 576 . 1 1 47 47 PRO CG C 13 26.896 0.2 . 1 . . . . . 80 PRO CG . 16686 1 577 . 1 1 48 48 HIS H H 1 8.832 0.02 . 1 . . . . . 81 HIS H . 16686 1 578 . 1 1 48 48 HIS HA H 1 4.384 0.02 . 1 . . . . . 81 HIS HA . 16686 1 579 . 1 1 48 48 HIS HB2 H 1 3.224 0.02 . 2 . . . . . 81 HIS HB2 . 16686 1 580 . 1 1 48 48 HIS HB3 H 1 3.224 0.02 . 2 . . . . . 81 HIS HB3 . 16686 1 581 . 1 1 48 48 HIS HD2 H 1 7.183 0.02 . 1 . . . . . 81 HIS HD2 . 16686 1 582 . 1 1 48 48 HIS HE1 H 1 8.056 0.02 . 1 . . . . . 81 HIS HE1 . 16686 1 583 . 1 1 48 48 HIS C C 13 174.963 0.2 . 1 . . . . . 81 HIS C . 16686 1 584 . 1 1 48 48 HIS CA C 13 57.883 0.2 . 1 . . . . . 81 HIS CA . 16686 1 585 . 1 1 48 48 HIS CB C 13 29.245 0.2 . 1 . . . . . 81 HIS CB . 16686 1 586 . 1 1 48 48 HIS CD2 C 13 119.585 0.2 . 1 . . . . . 81 HIS CD2 . 16686 1 587 . 1 1 48 48 HIS CE1 C 13 137.964 0.2 . 1 . . . . . 81 HIS CE1 . 16686 1 588 . 1 1 48 48 HIS N N 15 120.534 0.2 . 1 . . . . . 81 HIS N . 16686 1 589 . 1 1 48 48 HIS ND1 N 15 213.899 0.2 . 1 . . . . . 81 HIS ND1 . 16686 1 590 . 1 1 48 48 HIS NE2 N 15 176.366 0.2 . 1 . . . . . 81 HIS NE2 . 16686 1 591 . 1 1 49 49 ASN H H 1 7.505 0.02 . 1 . . . . . 82 ASN H . 16686 1 592 . 1 1 49 49 ASN HA H 1 4.870 0.02 . 1 . . . . . 82 ASN HA . 16686 1 593 . 1 1 49 49 ASN HB2 H 1 2.886 0.02 . 1 . . . . . 82 ASN HB2 . 16686 1 594 . 1 1 49 49 ASN HB3 H 1 2.380 0.02 . 1 . . . . . 82 ASN HB3 . 16686 1 595 . 1 1 49 49 ASN HD21 H 1 7.342 0.02 . 1 . . . . . 82 ASN HD21 . 16686 1 596 . 1 1 49 49 ASN HD22 H 1 6.828 0.02 . 1 . . . . . 82 ASN HD22 . 16686 1 597 . 1 1 49 49 ASN C C 13 175.353 0.2 . 1 . . . . . 82 ASN C . 16686 1 598 . 1 1 49 49 ASN CA C 13 50.530 0.2 . 1 . . . . . 82 ASN CA . 16686 1 599 . 1 1 49 49 ASN CB C 13 36.565 0.2 . 1 . . . . . 82 ASN CB . 16686 1 600 . 1 1 49 49 ASN N N 15 115.457 0.2 . 1 . . . . . 82 ASN N . 16686 1 601 . 1 1 49 49 ASN ND2 N 15 108.922 0.2 . 1 . . . . . 82 ASN ND2 . 16686 1 602 . 1 1 50 50 ALA H H 1 7.218 0.02 . 1 . . . . . 83 ALA H . 16686 1 603 . 1 1 50 50 ALA HA H 1 3.850 0.02 . 1 . . . . . 83 ALA HA . 16686 1 604 . 1 1 50 50 ALA HB1 H 1 1.421 0.02 . 1 . . . . . 83 ALA HB . 16686 1 605 . 1 1 50 50 ALA HB2 H 1 1.421 0.02 . 1 . . . . . 83 ALA HB . 16686 1 606 . 1 1 50 50 ALA HB3 H 1 1.421 0.02 . 1 . . . . . 83 ALA HB . 16686 1 607 . 1 1 50 50 ALA C C 13 177.541 0.2 . 1 . . . . . 83 ALA C . 16686 1 608 . 1 1 50 50 ALA CA C 13 54.777 0.2 . 1 . . . . . 83 ALA CA . 16686 1 609 . 1 1 50 50 ALA CB C 13 19.026 0.2 . 1 . . . . . 83 ALA CB . 16686 1 610 . 1 1 50 50 ALA N N 15 120.015 0.2 . 1 . . . . . 83 ALA N . 16686 1 611 . 1 1 51 51 THR H H 1 7.768 0.02 . 1 . . . . . 84 THR H . 16686 1 612 . 1 1 51 51 THR HA H 1 4.393 0.02 . 1 . . . . . 84 THR HA . 16686 1 613 . 1 1 51 51 THR HB H 1 4.059 0.02 . 1 . . . . . 84 THR HB . 16686 1 614 . 1 1 51 51 THR HG21 H 1 1.182 0.02 . 1 . . . . . 84 THR HG2 . 16686 1 615 . 1 1 51 51 THR HG22 H 1 1.182 0.02 . 1 . . . . . 84 THR HG2 . 16686 1 616 . 1 1 51 51 THR HG23 H 1 1.182 0.02 . 1 . . . . . 84 THR HG2 . 16686 1 617 . 1 1 51 51 THR C C 13 171.993 0.2 . 1 . . . . . 84 THR C . 16686 1 618 . 1 1 51 51 THR CA C 13 58.914 0.2 . 1 . . . . . 84 THR CA . 16686 1 619 . 1 1 51 51 THR CB C 13 70.944 0.2 . 1 . . . . . 84 THR CB . 16686 1 620 . 1 1 51 51 THR CG2 C 13 21.420 0.2 . 1 . . . . . 84 THR CG2 . 16686 1 621 . 1 1 51 51 THR N N 15 108.747 0.2 . 1 . . . . . 84 THR N . 16686 1 622 . 1 1 52 52 GLY H H 1 6.579 0.02 . 1 . . . . . 85 GLY H . 16686 1 623 . 1 1 52 52 GLY HA2 H 1 3.615 0.02 . 2 . . . . . 85 GLY HA2 . 16686 1 624 . 1 1 52 52 GLY HA3 H 1 3.615 0.02 . 2 . . . . . 85 GLY HA3 . 16686 1 625 . 1 1 52 52 GLY C C 13 169.884 0.2 . 1 . . . . . 85 GLY C . 16686 1 626 . 1 1 52 52 GLY CA C 13 45.670 0.2 . 1 . . . . . 85 GLY CA . 16686 1 627 . 1 1 52 52 GLY N N 15 107.564 0.2 . 1 . . . . . 85 GLY N . 16686 1 628 . 1 1 53 53 ASN H H 1 8.207 0.02 . 1 . . . . . 86 ASN H . 16686 1 629 . 1 1 53 53 ASN HA H 1 6.111 0.02 . 1 . . . . . 86 ASN HA . 16686 1 630 . 1 1 53 53 ASN HB2 H 1 2.416 0.02 . 2 . . . . . 86 ASN HB2 . 16686 1 631 . 1 1 53 53 ASN HB3 H 1 1.943 0.02 . 2 . . . . . 86 ASN HB3 . 16686 1 632 . 1 1 53 53 ASN HD21 H 1 7.299 0.02 . 2 . . . . . 86 ASN HD21 . 16686 1 633 . 1 1 53 53 ASN HD22 H 1 7.048 0.02 . 2 . . . . . 86 ASN HD22 . 16686 1 634 . 1 1 53 53 ASN C C 13 175.979 0.2 . 1 . . . . . 86 ASN C . 16686 1 635 . 1 1 53 53 ASN CA C 13 49.965 0.2 . 1 . . . . . 86 ASN CA . 16686 1 636 . 1 1 53 53 ASN CB C 13 41.019 0.2 . 1 . . . . . 86 ASN CB . 16686 1 637 . 1 1 53 53 ASN N N 15 117.175 0.2 . 1 . . . . . 86 ASN N . 16686 1 638 . 1 1 53 53 ASN ND2 N 15 113.518 0.2 . 1 . . . . . 86 ASN ND2 . 16686 1 639 . 1 1 54 54 ILE H H 1 9.009 0.02 . 1 . . . . . 87 ILE H . 16686 1 640 . 1 1 54 54 ILE HA H 1 4.001 0.02 . 1 . . . . . 87 ILE HA . 16686 1 641 . 1 1 54 54 ILE HB H 1 2.071 0.02 . 1 . . . . . 87 ILE HB . 16686 1 642 . 1 1 54 54 ILE HD11 H 1 0.548 0.02 . 1 . . . . . 87 ILE HD1 . 16686 1 643 . 1 1 54 54 ILE HD12 H 1 0.548 0.02 . 1 . . . . . 87 ILE HD1 . 16686 1 644 . 1 1 54 54 ILE HD13 H 1 0.548 0.02 . 1 . . . . . 87 ILE HD1 . 16686 1 645 . 1 1 54 54 ILE HG12 H 1 0.684 0.02 . 1 . . . . . 87 ILE HG12 . 16686 1 646 . 1 1 54 54 ILE HG13 H 1 2.164 0.02 . 1 . . . . . 87 ILE HG13 . 16686 1 647 . 1 1 54 54 ILE HG21 H 1 0.832 0.02 . 1 . . . . . 87 ILE HG2 . 16686 1 648 . 1 1 54 54 ILE HG22 H 1 0.832 0.02 . 1 . . . . . 87 ILE HG2 . 16686 1 649 . 1 1 54 54 ILE HG23 H 1 0.832 0.02 . 1 . . . . . 87 ILE HG2 . 16686 1 650 . 1 1 54 54 ILE C C 13 175.041 0.2 . 1 . . . . . 87 ILE C . 16686 1 651 . 1 1 54 54 ILE CA C 13 62.356 0.2 . 1 . . . . . 87 ILE CA . 16686 1 652 . 1 1 54 54 ILE CB C 13 35.516 0.2 . 1 . . . . . 87 ILE CB . 16686 1 653 . 1 1 54 54 ILE CD1 C 13 14.197 0.2 . 1 . . . . . 87 ILE CD1 . 16686 1 654 . 1 1 54 54 ILE CG1 C 13 27.265 0.2 . 1 . . . . . 87 ILE CG1 . 16686 1 655 . 1 1 54 54 ILE CG2 C 13 19.480 0.2 . 1 . . . . . 87 ILE CG2 . 16686 1 656 . 1 1 54 54 ILE N N 15 122.446 0.2 . 1 . . . . . 87 ILE N . 16686 1 657 . 1 1 55 55 THR H H 1 7.802 0.02 . 1 . . . . . 88 THR H . 16686 1 658 . 1 1 55 55 THR HA H 1 4.441 0.02 . 1 . . . . . 88 THR HA . 16686 1 659 . 1 1 55 55 THR HB H 1 4.492 0.02 . 1 . . . . . 88 THR HB . 16686 1 660 . 1 1 55 55 THR HG21 H 1 1.222 0.02 . 1 . . . . . 88 THR HG2 . 16686 1 661 . 1 1 55 55 THR HG22 H 1 1.222 0.02 . 1 . . . . . 88 THR HG2 . 16686 1 662 . 1 1 55 55 THR HG23 H 1 1.222 0.02 . 1 . . . . . 88 THR HG2 . 16686 1 663 . 1 1 55 55 THR C C 13 173.869 0.2 . 1 . . . . . 88 THR C . 16686 1 664 . 1 1 55 55 THR CA C 13 61.651 0.2 . 1 . . . . . 88 THR CA . 16686 1 665 . 1 1 55 55 THR CB C 13 69.214 0.2 . 1 . . . . . 88 THR CB . 16686 1 666 . 1 1 55 55 THR CG2 C 13 22.130 0.2 . 1 . . . . . 88 THR CG2 . 16686 1 667 . 1 1 55 55 THR N N 15 115.074 0.2 . 1 . . . . . 88 THR N . 16686 1 668 . 1 1 56 56 ASP H H 1 7.744 0.02 . 1 . . . . . 89 ASP H . 16686 1 669 . 1 1 56 56 ASP HA H 1 4.646 0.02 . 1 . . . . . 89 ASP HA . 16686 1 670 . 1 1 56 56 ASP HB2 H 1 2.507 0.02 . 2 . . . . . 89 ASP HB2 . 16686 1 671 . 1 1 56 56 ASP HB3 H 1 2.575 0.02 . 2 . . . . . 89 ASP HB3 . 16686 1 672 . 1 1 56 56 ASP C C 13 174.512 0.2 . 1 . . . . . 89 ASP C . 16686 1 673 . 1 1 56 56 ASP CA C 13 52.280 0.2 . 1 . . . . . 89 ASP CA . 16686 1 674 . 1 1 56 56 ASP CB C 13 44.101 0.2 . 1 . . . . . 89 ASP CB . 16686 1 675 . 1 1 56 56 ASP N N 15 118.790 0.2 . 1 . . . . . 89 ASP N . 16686 1 676 . 1 1 57 57 THR H H 1 8.313 0.02 . 1 . . . . . 90 THR H . 16686 1 677 . 1 1 57 57 THR HA H 1 4.141 0.02 . 1 . . . . . 90 THR HA . 16686 1 678 . 1 1 57 57 THR HB H 1 3.797 0.02 . 1 . . . . . 90 THR HB . 16686 1 679 . 1 1 57 57 THR HG21 H 1 0.791 0.02 . 1 . . . . . 90 THR HG2 . 16686 1 680 . 1 1 57 57 THR HG22 H 1 0.791 0.02 . 1 . . . . . 90 THR HG2 . 16686 1 681 . 1 1 57 57 THR HG23 H 1 0.791 0.02 . 1 . . . . . 90 THR HG2 . 16686 1 682 . 1 1 57 57 THR C C 13 174.849 0.2 . 1 . . . . . 90 THR C . 16686 1 683 . 1 1 57 57 THR CA C 13 60.988 0.2 . 1 . . . . . 90 THR CA . 16686 1 684 . 1 1 57 57 THR CB C 13 69.605 0.2 . 1 . . . . . 90 THR CB . 16686 1 685 . 1 1 57 57 THR CG2 C 13 20.646 0.2 . 1 . . . . . 90 THR CG2 . 16686 1 686 . 1 1 57 57 THR N N 15 111.269 0.2 . 1 . . . . . 90 THR N . 16686 1 687 . 1 1 58 58 GLY H H 1 8.537 0.02 . 1 . . . . . 91 GLY H . 16686 1 688 . 1 1 58 58 GLY HA2 H 1 3.792 0.02 . 2 . . . . . 91 GLY HA2 . 16686 1 689 . 1 1 58 58 GLY HA3 H 1 3.899 0.02 . 2 . . . . . 91 GLY HA3 . 16686 1 690 . 1 1 58 58 GLY C C 13 174.947 0.2 . 1 . . . . . 91 GLY C . 16686 1 691 . 1 1 58 58 GLY CA C 13 45.905 0.2 . 1 . . . . . 91 GLY CA . 16686 1 692 . 1 1 58 58 GLY N N 15 110.475 0.2 . 1 . . . . . 91 GLY N . 16686 1 693 . 1 1 59 59 ILE H H 1 9.248 0.02 . 1 . . . . . 92 ILE H . 16686 1 694 . 1 1 59 59 ILE HA H 1 3.769 0.02 . 1 . . . . . 92 ILE HA . 16686 1 695 . 1 1 59 59 ILE HB H 1 1.888 0.02 . 1 . . . . . 92 ILE HB . 16686 1 696 . 1 1 59 59 ILE HD11 H 1 1.011 0.02 . 1 . . . . . 92 ILE HD1 . 16686 1 697 . 1 1 59 59 ILE HD12 H 1 1.011 0.02 . 1 . . . . . 92 ILE HD1 . 16686 1 698 . 1 1 59 59 ILE HD13 H 1 1.011 0.02 . 1 . . . . . 92 ILE HD1 . 16686 1 699 . 1 1 59 59 ILE HG12 H 1 0.921 0.02 . 1 . . . . . 92 ILE HG12 . 16686 1 700 . 1 1 59 59 ILE HG13 H 1 1.464 0.02 . 1 . . . . . 92 ILE HG13 . 16686 1 701 . 1 1 59 59 ILE HG21 H 1 0.656 0.02 . 1 . . . . . 92 ILE HG2 . 16686 1 702 . 1 1 59 59 ILE HG22 H 1 0.656 0.02 . 1 . . . . . 92 ILE HG2 . 16686 1 703 . 1 1 59 59 ILE HG23 H 1 0.656 0.02 . 1 . . . . . 92 ILE HG2 . 16686 1 704 . 1 1 59 59 ILE C C 13 175.744 0.2 . 1 . . . . . 92 ILE C . 16686 1 705 . 1 1 59 59 ILE CA C 13 63.346 0.2 . 1 . . . . . 92 ILE CA . 16686 1 706 . 1 1 59 59 ILE CB C 13 37.212 0.2 . 1 . . . . . 92 ILE CB . 16686 1 707 . 1 1 59 59 ILE CD1 C 13 14.401 0.2 . 1 . . . . . 92 ILE CD1 . 16686 1 708 . 1 1 59 59 ILE CG1 C 13 27.955 0.2 . 1 . . . . . 92 ILE CG1 . 16686 1 709 . 1 1 59 59 ILE CG2 C 13 17.276 0.2 . 1 . . . . . 92 ILE CG2 . 16686 1 710 . 1 1 59 59 ILE N N 15 123.498 0.2 . 1 . . . . . 92 ILE N . 16686 1 711 . 1 1 60 60 ILE H H 1 8.059 0.02 . 1 . . . . . 93 ILE H . 16686 1 712 . 1 1 60 60 ILE HA H 1 4.939 0.02 . 1 . . . . . 93 ILE HA . 16686 1 713 . 1 1 60 60 ILE HB H 1 1.516 0.02 . 1 . . . . . 93 ILE HB . 16686 1 714 . 1 1 60 60 ILE HD11 H 1 0.753 0.02 . 1 . . . . . 93 ILE HD1 . 16686 1 715 . 1 1 60 60 ILE HD12 H 1 0.753 0.02 . 1 . . . . . 93 ILE HD1 . 16686 1 716 . 1 1 60 60 ILE HD13 H 1 0.753 0.02 . 1 . . . . . 93 ILE HD1 . 16686 1 717 . 1 1 60 60 ILE HG12 H 1 0.863 0.02 . 1 . . . . . 93 ILE HG12 . 16686 1 718 . 1 1 60 60 ILE HG13 H 1 1.486 0.02 . 1 . . . . . 93 ILE HG13 . 16686 1 719 . 1 1 60 60 ILE HG21 H 1 0.609 0.02 . 1 . . . . . 93 ILE HG2 . 16686 1 720 . 1 1 60 60 ILE HG22 H 1 0.609 0.02 . 1 . . . . . 93 ILE HG2 . 16686 1 721 . 1 1 60 60 ILE HG23 H 1 0.609 0.02 . 1 . . . . . 93 ILE HG2 . 16686 1 722 . 1 1 60 60 ILE C C 13 175.432 0.2 . 1 . . . . . 93 ILE C . 16686 1 723 . 1 1 60 60 ILE CA C 13 59.252 0.2 . 1 . . . . . 93 ILE CA . 16686 1 724 . 1 1 60 60 ILE CB C 13 41.030 0.2 . 1 . . . . . 93 ILE CB . 16686 1 725 . 1 1 60 60 ILE CD1 C 13 13.507 0.2 . 1 . . . . . 93 ILE CD1 . 16686 1 726 . 1 1 60 60 ILE CG1 C 13 27.402 0.2 . 1 . . . . . 93 ILE CG1 . 16686 1 727 . 1 1 60 60 ILE CG2 C 13 16.632 0.2 . 1 . . . . . 93 ILE CG2 . 16686 1 728 . 1 1 60 60 ILE N N 15 129.171 0.2 . 1 . . . . . 93 ILE N . 16686 1 729 . 1 1 61 61 VAL H H 1 9.240 0.02 . 1 . . . . . 94 VAL H . 16686 1 730 . 1 1 61 61 VAL HA H 1 3.940 0.02 . 1 . . . . . 94 VAL HA . 16686 1 731 . 1 1 61 61 VAL HB H 1 1.917 0.02 . 1 . . . . . 94 VAL HB . 16686 1 732 . 1 1 61 61 VAL HG11 H 1 0.540 0.02 . 1 . . . . . 94 VAL HG1 . 16686 1 733 . 1 1 61 61 VAL HG12 H 1 0.540 0.02 . 1 . . . . . 94 VAL HG1 . 16686 1 734 . 1 1 61 61 VAL HG13 H 1 0.540 0.02 . 1 . . . . . 94 VAL HG1 . 16686 1 735 . 1 1 61 61 VAL HG21 H 1 0.577 0.02 . 1 . . . . . 94 VAL HG2 . 16686 1 736 . 1 1 61 61 VAL HG22 H 1 0.577 0.02 . 1 . . . . . 94 VAL HG2 . 16686 1 737 . 1 1 61 61 VAL HG23 H 1 0.577 0.02 . 1 . . . . . 94 VAL HG2 . 16686 1 738 . 1 1 61 61 VAL C C 13 173.519 0.2 . 1 . . . . . 94 VAL C . 16686 1 739 . 1 1 61 61 VAL CA C 13 60.663 0.2 . 1 . . . . . 94 VAL CA . 16686 1 740 . 1 1 61 61 VAL CB C 13 33.111 0.2 . 1 . . . . . 94 VAL CB . 16686 1 741 . 1 1 61 61 VAL CG1 C 13 21.089 0.2 . 1 . . . . . 94 VAL CG1 . 16686 1 742 . 1 1 61 61 VAL CG2 C 13 20.137 0.2 . 1 . . . . . 94 VAL CG2 . 16686 1 743 . 1 1 61 61 VAL N N 15 130.818 0.2 . 1 . . . . . 94 VAL N . 16686 1 744 . 1 1 62 62 ARG H H 1 8.753 0.02 . 1 . . . . . 95 ARG H . 16686 1 745 . 1 1 62 62 ARG HA H 1 4.868 0.02 . 1 . . . . . 95 ARG HA . 16686 1 746 . 1 1 62 62 ARG HB2 H 1 1.509 0.02 . 2 . . . . . 95 ARG HB2 . 16686 1 747 . 1 1 62 62 ARG HB3 H 1 1.509 0.02 . 2 . . . . . 95 ARG HB3 . 16686 1 748 . 1 1 62 62 ARG HD2 H 1 3.116 0.02 . 2 . . . . . 95 ARG HD2 . 16686 1 749 . 1 1 62 62 ARG HD3 H 1 3.116 0.02 . 2 . . . . . 95 ARG HD3 . 16686 1 750 . 1 1 62 62 ARG HE H 1 7.377 0.02 . 1 . . . . . 95 ARG HE . 16686 1 751 . 1 1 62 62 ARG HG2 H 1 1.345 0.02 . 2 . . . . . 95 ARG HG2 . 16686 1 752 . 1 1 62 62 ARG HG3 H 1 1.345 0.02 . 2 . . . . . 95 ARG HG3 . 16686 1 753 . 1 1 62 62 ARG HH11 H 1 6.658 0.02 . 2 . . . . . 95 ARG HH11 . 16686 1 754 . 1 1 62 62 ARG HH12 H 1 6.658 0.02 . 2 . . . . . 95 ARG HH12 . 16686 1 755 . 1 1 62 62 ARG HH21 H 1 6.870 0.02 . 2 . . . . . 95 ARG HH21 . 16686 1 756 . 1 1 62 62 ARG HH22 H 1 6.870 0.02 . 2 . . . . . 95 ARG HH22 . 16686 1 757 . 1 1 62 62 ARG C C 13 174.338 0.2 . 1 . . . . . 95 ARG C . 16686 1 758 . 1 1 62 62 ARG CA C 13 54.454 0.2 . 1 . . . . . 95 ARG CA . 16686 1 759 . 1 1 62 62 ARG CB C 13 32.065 0.2 . 1 . . . . . 95 ARG CB . 16686 1 760 . 1 1 62 62 ARG CD C 13 43.430 0.2 . 1 . . . . . 95 ARG CD . 16686 1 761 . 1 1 62 62 ARG CG C 13 28.299 0.2 . 1 . . . . . 95 ARG CG . 16686 1 762 . 1 1 62 62 ARG N N 15 127.742 0.2 . 1 . . . . . 95 ARG N . 16686 1 763 . 1 1 62 62 ARG NE N 15 84.613 0.2 . 1 . . . . . 95 ARG NE . 16686 1 764 . 1 1 63 63 TYR H H 1 8.983 0.02 . 1 . . . . . 96 TYR H . 16686 1 765 . 1 1 63 63 TYR HA H 1 4.438 0.02 . 1 . . . . . 96 TYR HA . 16686 1 766 . 1 1 63 63 TYR HB2 H 1 3.333 0.02 . 1 . . . . . 96 TYR HB2 . 16686 1 767 . 1 1 63 63 TYR HB3 H 1 2.989 0.02 . 1 . . . . . 96 TYR HB3 . 16686 1 768 . 1 1 63 63 TYR HD1 H 1 7.062 0.02 . 1 . . . . . 96 TYR HD1 . 16686 1 769 . 1 1 63 63 TYR HD2 H 1 7.062 0.02 . 1 . . . . . 96 TYR HD2 . 16686 1 770 . 1 1 63 63 TYR HE1 H 1 6.514 0.02 . 1 . . . . . 96 TYR HE1 . 16686 1 771 . 1 1 63 63 TYR HE2 H 1 6.514 0.02 . 1 . . . . . 96 TYR HE2 . 16686 1 772 . 1 1 63 63 TYR C C 13 173.947 0.2 . 1 . . . . . 96 TYR C . 16686 1 773 . 1 1 63 63 TYR CA C 13 58.570 0.2 . 1 . . . . . 96 TYR CA . 16686 1 774 . 1 1 63 63 TYR CB C 13 39.990 0.2 . 1 . . . . . 96 TYR CB . 16686 1 775 . 1 1 63 63 TYR CD1 C 13 132.822 0.2 . 1 . . . . . 96 TYR CD1 . 16686 1 776 . 1 1 63 63 TYR CD2 C 13 132.822 0.2 . 1 . . . . . 96 TYR CD2 . 16686 1 777 . 1 1 63 63 TYR CE1 C 13 117.387 0.2 . 1 . . . . . 96 TYR CE1 . 16686 1 778 . 1 1 63 63 TYR CE2 C 13 117.387 0.2 . 1 . . . . . 96 TYR CE2 . 16686 1 779 . 1 1 63 63 TYR N N 15 127.302 0.2 . 1 . . . . . 96 TYR N . 16686 1 780 . 1 1 64 64 ILE H H 1 8.769 0.02 . 1 . . . . . 97 ILE H . 16686 1 781 . 1 1 64 64 ILE HA H 1 4.695 0.02 . 1 . . . . . 97 ILE HA . 16686 1 782 . 1 1 64 64 ILE HB H 1 1.553 0.02 . 1 . . . . . 97 ILE HB . 16686 1 783 . 1 1 64 64 ILE HD11 H 1 0.794 0.02 . 1 . . . . . 97 ILE HD1 . 16686 1 784 . 1 1 64 64 ILE HD12 H 1 0.794 0.02 . 1 . . . . . 97 ILE HD1 . 16686 1 785 . 1 1 64 64 ILE HD13 H 1 0.794 0.02 . 1 . . . . . 97 ILE HD1 . 16686 1 786 . 1 1 64 64 ILE HG12 H 1 1.473 0.02 . 2 . . . . . 97 ILE HG12 . 16686 1 787 . 1 1 64 64 ILE HG13 H 1 0.788 0.02 . 2 . . . . . 97 ILE HG13 . 16686 1 788 . 1 1 64 64 ILE HG21 H 1 0.734 0.02 . 1 . . . . . 97 ILE HG2 . 16686 1 789 . 1 1 64 64 ILE HG22 H 1 0.734 0.02 . 1 . . . . . 97 ILE HG2 . 16686 1 790 . 1 1 64 64 ILE HG23 H 1 0.734 0.02 . 1 . . . . . 97 ILE HG2 . 16686 1 791 . 1 1 64 64 ILE C C 13 174.416 0.2 . 1 . . . . . 97 ILE C . 16686 1 792 . 1 1 64 64 ILE CA C 13 60.659 0.2 . 1 . . . . . 97 ILE CA . 16686 1 793 . 1 1 64 64 ILE CB C 13 39.315 0.2 . 1 . . . . . 97 ILE CB . 16686 1 794 . 1 1 64 64 ILE CD1 C 13 13.526 0.2 . 1 . . . . . 97 ILE CD1 . 16686 1 795 . 1 1 64 64 ILE CG1 C 13 27.238 0.2 . 1 . . . . . 97 ILE CG1 . 16686 1 796 . 1 1 64 64 ILE CG2 C 13 16.613 0.2 . 1 . . . . . 97 ILE CG2 . 16686 1 797 . 1 1 64 64 ILE N N 15 123.683 0.2 . 1 . . . . . 97 ILE N . 16686 1 798 . 1 1 65 65 TYR H H 1 9.433 0.02 . 1 . . . . . 98 TYR H . 16686 1 799 . 1 1 65 65 TYR HA H 1 5.042 0.02 . 1 . . . . . 98 TYR HA . 16686 1 800 . 1 1 65 65 TYR HB2 H 1 2.784 0.02 . 1 . . . . . 98 TYR HB2 . 16686 1 801 . 1 1 65 65 TYR HB3 H 1 2.717 0.02 . 1 . . . . . 98 TYR HB3 . 16686 1 802 . 1 1 65 65 TYR HD1 H 1 7.109 0.02 . 1 . . . . . 98 TYR HD1 . 16686 1 803 . 1 1 65 65 TYR HD2 H 1 7.109 0.02 . 1 . . . . . 98 TYR HD2 . 16686 1 804 . 1 1 65 65 TYR HE1 H 1 6.943 0.02 . 1 . . . . . 98 TYR HE1 . 16686 1 805 . 1 1 65 65 TYR HE2 H 1 6.943 0.02 . 1 . . . . . 98 TYR HE2 . 16686 1 806 . 1 1 65 65 TYR HH H 1 9.221 0.02 . 1 . . . . . 98 TYR HH . 16686 1 807 . 1 1 65 65 TYR C C 13 174.806 0.2 . 1 . . . . . 98 TYR C . 16686 1 808 . 1 1 65 65 TYR CA C 13 55.959 0.2 . 1 . . . . . 98 TYR CA . 16686 1 809 . 1 1 65 65 TYR CB C 13 42.057 0.2 . 1 . . . . . 98 TYR CB . 16686 1 810 . 1 1 65 65 TYR CE1 C 13 118.061 0.2 . 1 . . . . . 98 TYR CE1 . 16686 1 811 . 1 1 65 65 TYR CE2 C 13 118.061 0.2 . 1 . . . . . 98 TYR CE2 . 16686 1 812 . 1 1 65 65 TYR N N 15 125.723 0.2 . 1 . . . . . 98 TYR N . 16686 1 813 . 1 1 66 66 ASP H H 1 8.734 0.02 . 1 . . . . . 99 ASP H . 16686 1 814 . 1 1 66 66 ASP HA H 1 5.346 0.02 . 1 . . . . . 99 ASP HA . 16686 1 815 . 1 1 66 66 ASP HB2 H 1 2.615 0.02 . 2 . . . . . 99 ASP HB2 . 16686 1 816 . 1 1 66 66 ASP HB3 H 1 2.515 0.02 . 2 . . . . . 99 ASP HB3 . 16686 1 817 . 1 1 66 66 ASP C C 13 176.135 0.2 . 1 . . . . . 99 ASP C . 16686 1 818 . 1 1 66 66 ASP CA C 13 53.070 0.2 . 1 . . . . . 99 ASP CA . 16686 1 819 . 1 1 66 66 ASP CB C 13 44.111 0.2 . 1 . . . . . 99 ASP CB . 16686 1 820 . 1 1 66 66 ASP N N 15 115.923 0.2 . 1 . . . . . 99 ASP N . 16686 1 821 . 1 1 67 67 LYS H H 1 8.995 0.02 . 1 . . . . . 100 LYS H . 16686 1 822 . 1 1 67 67 LYS HA H 1 3.760 0.02 . 1 . . . . . 100 LYS HA . 16686 1 823 . 1 1 67 67 LYS HB2 H 1 1.681 0.02 . 2 . . . . . 100 LYS HB2 . 16686 1 824 . 1 1 67 67 LYS HB3 H 1 1.681 0.02 . 2 . . . . . 100 LYS HB3 . 16686 1 825 . 1 1 67 67 LYS HD2 H 1 1.530 0.02 . 2 . . . . . 100 LYS HD2 . 16686 1 826 . 1 1 67 67 LYS HD3 H 1 1.481 0.02 . 2 . . . . . 100 LYS HD3 . 16686 1 827 . 1 1 67 67 LYS HE2 H 1 2.936 0.02 . 2 . . . . . 100 LYS HE2 . 16686 1 828 . 1 1 67 67 LYS HE3 H 1 2.936 0.02 . 2 . . . . . 100 LYS HE3 . 16686 1 829 . 1 1 67 67 LYS HG2 H 1 1.162 0.02 . 2 . . . . . 100 LYS HG2 . 16686 1 830 . 1 1 67 67 LYS HG3 H 1 0.958 0.02 . 2 . . . . . 100 LYS HG3 . 16686 1 831 . 1 1 67 67 LYS C C 13 176.730 0.2 . 1 . . . . . 100 LYS C . 16686 1 832 . 1 1 67 67 LYS CA C 13 57.089 0.2 . 1 . . . . . 100 LYS CA . 16686 1 833 . 1 1 67 67 LYS CB C 13 32.966 0.2 . 1 . . . . . 100 LYS CB . 16686 1 834 . 1 1 67 67 LYS CD C 13 29.005 0.2 . 1 . . . . . 100 LYS CD . 16686 1 835 . 1 1 67 67 LYS CE C 13 42.054 0.2 . 1 . . . . . 100 LYS CE . 16686 1 836 . 1 1 67 67 LYS CG C 13 25.140 0.2 . 1 . . . . . 100 LYS CG . 16686 1 837 . 1 1 67 67 LYS N N 15 124.676 0.2 . 1 . . . . . 100 LYS N . 16686 1 838 . 1 1 68 68 ILE H H 1 8.111 0.02 . 1 . . . . . 101 ILE H . 16686 1 839 . 1 1 68 68 ILE HA H 1 3.929 0.02 . 1 . . . . . 101 ILE HA . 16686 1 840 . 1 1 68 68 ILE HB H 1 1.498 0.02 . 1 . . . . . 101 ILE HB . 16686 1 841 . 1 1 68 68 ILE HD11 H 1 0.745 0.02 . 1 . . . . . 101 ILE HD1 . 16686 1 842 . 1 1 68 68 ILE HD12 H 1 0.745 0.02 . 1 . . . . . 101 ILE HD1 . 16686 1 843 . 1 1 68 68 ILE HD13 H 1 0.745 0.02 . 1 . . . . . 101 ILE HD1 . 16686 1 844 . 1 1 68 68 ILE HG12 H 1 0.908 0.02 . 1 . . . . . 101 ILE HG12 . 16686 1 845 . 1 1 68 68 ILE HG13 H 1 1.291 0.02 . 1 . . . . . 101 ILE HG13 . 16686 1 846 . 1 1 68 68 ILE HG21 H 1 0.788 0.02 . 1 . . . . . 101 ILE HG2 . 16686 1 847 . 1 1 68 68 ILE HG22 H 1 0.788 0.02 . 1 . . . . . 101 ILE HG2 . 16686 1 848 . 1 1 68 68 ILE HG23 H 1 0.788 0.02 . 1 . . . . . 101 ILE HG2 . 16686 1 849 . 1 1 68 68 ILE C C 13 175.822 0.2 . 1 . . . . . 101 ILE C . 16686 1 850 . 1 1 68 68 ILE CA C 13 61.949 0.2 . 1 . . . . . 101 ILE CA . 16686 1 851 . 1 1 68 68 ILE CB C 13 38.267 0.2 . 1 . . . . . 101 ILE CB . 16686 1 852 . 1 1 68 68 ILE CD1 C 13 13.512 0.2 . 1 . . . . . 101 ILE CD1 . 16686 1 853 . 1 1 68 68 ILE CG1 C 13 27.822 0.2 . 1 . . . . . 101 ILE CG1 . 16686 1 854 . 1 1 68 68 ILE CG2 C 13 17.281 0.2 . 1 . . . . . 101 ILE CG2 . 16686 1 855 . 1 1 68 68 ILE N N 15 126.360 0.2 . 1 . . . . . 101 ILE N . 16686 1 856 . 1 1 69 69 ILE H H 1 8.237 0.02 . 1 . . . . . 102 ILE H . 16686 1 857 . 1 1 69 69 ILE HA H 1 4.165 0.02 . 1 . . . . . 102 ILE HA . 16686 1 858 . 1 1 69 69 ILE HB H 1 1.825 0.02 . 1 . . . . . 102 ILE HB . 16686 1 859 . 1 1 69 69 ILE HD11 H 1 0.805 0.02 . 1 . . . . . 102 ILE HD1 . 16686 1 860 . 1 1 69 69 ILE HD12 H 1 0.805 0.02 . 1 . . . . . 102 ILE HD1 . 16686 1 861 . 1 1 69 69 ILE HD13 H 1 0.805 0.02 . 1 . . . . . 102 ILE HD1 . 16686 1 862 . 1 1 69 69 ILE HG12 H 1 1.402 0.02 . 2 . . . . . 102 ILE HG12 . 16686 1 863 . 1 1 69 69 ILE HG13 H 1 1.149 0.02 . 2 . . . . . 102 ILE HG13 . 16686 1 864 . 1 1 69 69 ILE HG21 H 1 0.847 0.02 . 1 . . . . . 102 ILE HG2 . 16686 1 865 . 1 1 69 69 ILE HG22 H 1 0.847 0.02 . 1 . . . . . 102 ILE HG2 . 16686 1 866 . 1 1 69 69 ILE HG23 H 1 0.847 0.02 . 1 . . . . . 102 ILE HG2 . 16686 1 867 . 1 1 69 69 ILE C C 13 175.424 0.2 . 1 . . . . . 102 ILE C . 16686 1 868 . 1 1 69 69 ILE CA C 13 60.458 0.2 . 1 . . . . . 102 ILE CA . 16686 1 869 . 1 1 69 69 ILE CB C 13 38.568 0.2 . 1 . . . . . 102 ILE CB . 16686 1 870 . 1 1 69 69 ILE CD1 C 13 12.494 0.2 . 1 . . . . . 102 ILE CD1 . 16686 1 871 . 1 1 69 69 ILE CG1 C 13 26.767 0.2 . 1 . . . . . 102 ILE CG1 . 16686 1 872 . 1 1 69 69 ILE CG2 C 13 17.297 0.2 . 1 . . . . . 102 ILE CG2 . 16686 1 873 . 1 1 69 69 ILE N N 15 126.127 0.2 . 1 . . . . . 102 ILE N . 16686 1 874 . 1 1 70 70 ASP H H 1 8.293 0.02 . 1 . . . . . 103 ASP H . 16686 1 875 . 1 1 70 70 ASP HA H 1 4.639 0.02 . 1 . . . . . 103 ASP HA . 16686 1 876 . 1 1 70 70 ASP HB2 H 1 2.690 0.02 . 2 . . . . . 103 ASP HB2 . 16686 1 877 . 1 1 70 70 ASP HB3 H 1 2.549 0.02 . 2 . . . . . 103 ASP HB3 . 16686 1 878 . 1 1 70 70 ASP C C 13 176.068 0.2 . 1 . . . . . 103 ASP C . 16686 1 879 . 1 1 70 70 ASP CA C 13 53.933 0.2 . 1 . . . . . 103 ASP CA . 16686 1 880 . 1 1 70 70 ASP CB C 13 41.349 0.2 . 1 . . . . . 103 ASP CB . 16686 1 881 . 1 1 70 70 ASP N N 15 124.921 0.2 . 1 . . . . . 103 ASP N . 16686 1 882 . 1 1 71 71 VAL H H 1 8.088 0.02 . 1 . . . . . 104 VAL H . 16686 1 883 . 1 1 71 71 VAL HA H 1 4.134 0.02 . 1 . . . . . 104 VAL HA . 16686 1 884 . 1 1 71 71 VAL HB H 1 2.084 0.02 . 1 . . . . . 104 VAL HB . 16686 1 885 . 1 1 71 71 VAL HG11 H 1 0.846 0.02 . 1 . . . . . 104 VAL HG1 . 16686 1 886 . 1 1 71 71 VAL HG12 H 1 0.846 0.02 . 1 . . . . . 104 VAL HG1 . 16686 1 887 . 1 1 71 71 VAL HG13 H 1 0.846 0.02 . 1 . . . . . 104 VAL HG1 . 16686 1 888 . 1 1 71 71 VAL HG21 H 1 0.867 0.02 . 1 . . . . . 104 VAL HG2 . 16686 1 889 . 1 1 71 71 VAL HG22 H 1 0.867 0.02 . 1 . . . . . 104 VAL HG2 . 16686 1 890 . 1 1 71 71 VAL HG23 H 1 0.867 0.02 . 1 . . . . . 104 VAL HG2 . 16686 1 891 . 1 1 71 71 VAL C C 13 175.920 0.2 . 1 . . . . . 104 VAL C . 16686 1 892 . 1 1 71 71 VAL CA C 13 61.987 0.2 . 1 . . . . . 104 VAL CA . 16686 1 893 . 1 1 71 71 VAL CB C 13 32.435 0.2 . 1 . . . . . 104 VAL CB . 16686 1 894 . 1 1 71 71 VAL CG1 C 13 21.074 0.2 . 1 . . . . . 104 VAL CG1 . 16686 1 895 . 1 1 71 71 VAL CG2 C 13 19.733 0.2 . 1 . . . . . 104 VAL CG2 . 16686 1 896 . 1 1 71 71 VAL N N 15 120.210 0.2 . 1 . . . . . 104 VAL N . 16686 1 897 . 1 1 72 72 SER H H 1 8.337 0.02 . 1 . . . . . 105 SER H . 16686 1 898 . 1 1 72 72 SER HA H 1 4.407 0.02 . 1 . . . . . 105 SER HA . 16686 1 899 . 1 1 72 72 SER HB2 H 1 3.782 0.02 . 2 . . . . . 105 SER HB2 . 16686 1 900 . 1 1 72 72 SER HB3 H 1 3.782 0.02 . 2 . . . . . 105 SER HB3 . 16686 1 901 . 1 1 72 72 SER C C 13 174.025 0.2 . 1 . . . . . 105 SER C . 16686 1 902 . 1 1 72 72 SER CA C 13 58.211 0.2 . 1 . . . . . 105 SER CA . 16686 1 903 . 1 1 72 72 SER CB C 13 63.700 0.2 . 1 . . . . . 105 SER CB . 16686 1 904 . 1 1 72 72 SER N N 15 118.821 0.2 . 1 . . . . . 105 SER N . 16686 1 905 . 1 1 73 73 TYR H H 1 8.146 0.02 . 1 . . . . . 106 TYR H . 16686 1 906 . 1 1 73 73 TYR HA H 1 4.576 0.02 . 1 . . . . . 106 TYR HA . 16686 1 907 . 1 1 73 73 TYR HB2 H 1 3.019 0.02 . 2 . . . . . 106 TYR HB2 . 16686 1 908 . 1 1 73 73 TYR HB3 H 1 2.942 0.02 . 2 . . . . . 106 TYR HB3 . 16686 1 909 . 1 1 73 73 TYR HD1 H 1 7.083 0.02 . 1 . . . . . 106 TYR HD1 . 16686 1 910 . 1 1 73 73 TYR HD2 H 1 7.083 0.02 . 1 . . . . . 106 TYR HD2 . 16686 1 911 . 1 1 73 73 TYR HE1 H 1 6.795 0.02 . 1 . . . . . 106 TYR HE1 . 16686 1 912 . 1 1 73 73 TYR HE2 H 1 6.795 0.02 . 1 . . . . . 106 TYR HE2 . 16686 1 913 . 1 1 73 73 TYR C C 13 175.290 0.2 . 1 . . . . . 106 TYR C . 16686 1 914 . 1 1 73 73 TYR CA C 13 57.873 0.2 . 1 . . . . . 106 TYR CA . 16686 1 915 . 1 1 73 73 TYR CB C 13 38.636 0.2 . 1 . . . . . 106 TYR CB . 16686 1 916 . 1 1 73 73 TYR CD1 C 13 132.986 0.2 . 1 . . . . . 106 TYR CD1 . 16686 1 917 . 1 1 73 73 TYR CD2 C 13 132.986 0.2 . 1 . . . . . 106 TYR CD2 . 16686 1 918 . 1 1 73 73 TYR CE1 C 13 118.050 0.2 . 1 . . . . . 106 TYR CE1 . 16686 1 919 . 1 1 73 73 TYR CE2 C 13 118.050 0.2 . 1 . . . . . 106 TYR CE2 . 16686 1 920 . 1 1 73 73 TYR N N 15 122.661 0.2 . 1 . . . . . 106 TYR N . 16686 1 921 . 1 1 74 74 VAL H H 1 7.875 0.02 . 1 . . . . . 107 VAL H . 16686 1 922 . 1 1 74 74 VAL HA H 1 4.066 0.02 . 1 . . . . . 107 VAL HA . 16686 1 923 . 1 1 74 74 VAL HB H 1 1.945 0.02 . 1 . . . . . 107 VAL HB . 16686 1 924 . 1 1 74 74 VAL HG11 H 1 0.852 0.02 . 2 . . . . . 107 VAL HG1 . 16686 1 925 . 1 1 74 74 VAL HG12 H 1 0.852 0.02 . 2 . . . . . 107 VAL HG1 . 16686 1 926 . 1 1 74 74 VAL HG13 H 1 0.852 0.02 . 2 . . . . . 107 VAL HG1 . 16686 1 927 . 1 1 74 74 VAL HG21 H 1 0.852 0.02 . 2 . . . . . 107 VAL HG2 . 16686 1 928 . 1 1 74 74 VAL HG22 H 1 0.852 0.02 . 2 . . . . . 107 VAL HG2 . 16686 1 929 . 1 1 74 74 VAL HG23 H 1 0.852 0.02 . 2 . . . . . 107 VAL HG2 . 16686 1 930 . 1 1 74 74 VAL C C 13 175.119 0.2 . 1 . . . . . 107 VAL C . 16686 1 931 . 1 1 74 74 VAL CA C 13 61.665 0.2 . 1 . . . . . 107 VAL CA . 16686 1 932 . 1 1 74 74 VAL CB C 13 33.130 0.2 . 1 . . . . . 107 VAL CB . 16686 1 933 . 1 1 74 74 VAL CG1 C 13 20.624 0.2 . 1 . . . . . 107 VAL CG1 . 16686 1 934 . 1 1 74 74 VAL CG2 C 13 20.624 0.2 . 1 . . . . . 107 VAL CG2 . 16686 1 935 . 1 1 74 74 VAL N N 15 122.344 0.2 . 1 . . . . . 107 VAL N . 16686 1 936 . 1 1 75 75 ASP H H 1 8.326 0.02 . 1 . . . . . 108 ASP H . 16686 1 937 . 1 1 75 75 ASP HA H 1 4.582 0.02 . 1 . . . . . 108 ASP HA . 16686 1 938 . 1 1 75 75 ASP HB2 H 1 2.737 0.02 . 2 . . . . . 108 ASP HB2 . 16686 1 939 . 1 1 75 75 ASP HB3 H 1 2.685 0.02 . 2 . . . . . 108 ASP HB3 . 16686 1 940 . 1 1 75 75 ASP C C 13 176.604 0.2 . 1 . . . . . 108 ASP C . 16686 1 941 . 1 1 75 75 ASP CA C 13 53.753 0.2 . 1 . . . . . 108 ASP CA . 16686 1 942 . 1 1 75 75 ASP CB C 13 41.071 0.2 . 1 . . . . . 108 ASP CB . 16686 1 943 . 1 1 75 75 ASP N N 15 123.971 0.2 . 1 . . . . . 108 ASP N . 16686 1 944 . 1 1 76 76 GLU H H 1 8.601 0.02 . 1 . . . . . 109 GLU H . 16686 1 945 . 1 1 76 76 GLU HA H 1 4.330 0.02 . 1 . . . . . 109 GLU HA . 16686 1 946 . 1 1 76 76 GLU HB2 H 1 1.953 0.02 . 2 . . . . . 109 GLU HB2 . 16686 1 947 . 1 1 76 76 GLU HB3 H 1 2.137 0.02 . 2 . . . . . 109 GLU HB3 . 16686 1 948 . 1 1 76 76 GLU HG2 H 1 2.292 0.02 . 2 . . . . . 109 GLU HG2 . 16686 1 949 . 1 1 76 76 GLU HG3 H 1 2.220 0.02 . 2 . . . . . 109 GLU HG3 . 16686 1 950 . 1 1 76 76 GLU C C 13 177.072 0.2 . 1 . . . . . 109 GLU C . 16686 1 951 . 1 1 76 76 GLU CA C 13 56.863 0.2 . 1 . . . . . 109 GLU CA . 16686 1 952 . 1 1 76 76 GLU CB C 13 29.902 0.2 . 1 . . . . . 109 GLU CB . 16686 1 953 . 1 1 76 76 GLU CG C 13 36.197 0.2 . 1 . . . . . 109 GLU CG . 16686 1 954 . 1 1 76 76 GLU N N 15 122.622 0.2 . 1 . . . . . 109 GLU N . 16686 1 955 . 1 1 77 77 THR H H 1 8.336 0.02 . 1 . . . . . 110 THR H . 16686 1 956 . 1 1 77 77 THR HA H 1 4.283 0.02 . 1 . . . . . 110 THR HA . 16686 1 957 . 1 1 77 77 THR HB H 1 4.246 0.02 . 1 . . . . . 110 THR HB . 16686 1 958 . 1 1 77 77 THR HG21 H 1 1.235 0.02 . 1 . . . . . 110 THR HG2 . 16686 1 959 . 1 1 77 77 THR HG22 H 1 1.235 0.02 . 1 . . . . . 110 THR HG2 . 16686 1 960 . 1 1 77 77 THR HG23 H 1 1.235 0.02 . 1 . . . . . 110 THR HG2 . 16686 1 961 . 1 1 77 77 THR C C 13 175.666 0.2 . 1 . . . . . 110 THR C . 16686 1 962 . 1 1 77 77 THR CA C 13 62.712 0.2 . 1 . . . . . 110 THR CA . 16686 1 963 . 1 1 77 77 THR CB C 13 69.650 0.2 . 1 . . . . . 110 THR CB . 16686 1 964 . 1 1 77 77 THR CG2 C 13 21.436 0.2 . 1 . . . . . 110 THR CG2 . 16686 1 965 . 1 1 77 77 THR N N 15 113.955 0.2 . 1 . . . . . 110 THR N . 16686 1 966 . 1 1 78 78 GLY H H 1 8.436 0.02 . 1 . . . . . 111 GLY H . 16686 1 967 . 1 1 78 78 GLY HA2 H 1 3.948 0.02 . 2 . . . . . 111 GLY HA2 . 16686 1 968 . 1 1 78 78 GLY HA3 H 1 3.948 0.02 . 2 . . . . . 111 GLY HA3 . 16686 1 969 . 1 1 78 78 GLY C C 13 174.494 0.2 . 1 . . . . . 111 GLY C . 16686 1 970 . 1 1 78 78 GLY CA C 13 45.485 0.2 . 1 . . . . . 111 GLY CA . 16686 1 971 . 1 1 78 78 GLY N N 15 111.056 0.2 . 1 . . . . . 111 GLY N . 16686 1 972 . 1 1 79 79 LYS H H 1 7.991 0.02 . 1 . . . . . 112 LYS H . 16686 1 973 . 1 1 79 79 LYS HA H 1 4.266 0.02 . 1 . . . . . 112 LYS HA . 16686 1 974 . 1 1 79 79 LYS HB2 H 1 1.819 0.02 . 2 . . . . . 112 LYS HB2 . 16686 1 975 . 1 1 79 79 LYS HB3 H 1 1.747 0.02 . 2 . . . . . 112 LYS HB3 . 16686 1 976 . 1 1 79 79 LYS HD2 H 1 1.649 0.02 . 2 . . . . . 112 LYS HD2 . 16686 1 977 . 1 1 79 79 LYS HD3 H 1 1.649 0.02 . 2 . . . . . 112 LYS HD3 . 16686 1 978 . 1 1 79 79 LYS HE2 H 1 2.977 0.02 . 2 . . . . . 112 LYS HE2 . 16686 1 979 . 1 1 79 79 LYS HE3 H 1 2.977 0.02 . 2 . . . . . 112 LYS HE3 . 16686 1 980 . 1 1 79 79 LYS HG2 H 1 1.368 0.02 . 2 . . . . . 112 LYS HG2 . 16686 1 981 . 1 1 79 79 LYS HG3 H 1 1.407 0.02 . 2 . . . . . 112 LYS HG3 . 16686 1 982 . 1 1 79 79 LYS C C 13 176.291 0.2 . 1 . . . . . 112 LYS C . 16686 1 983 . 1 1 79 79 LYS CA C 13 56.479 0.2 . 1 . . . . . 112 LYS CA . 16686 1 984 . 1 1 79 79 LYS CB C 13 32.800 0.2 . 1 . . . . . 112 LYS CB . 16686 1 985 . 1 1 79 79 LYS CD C 13 28.980 0.2 . 1 . . . . . 112 LYS CD . 16686 1 986 . 1 1 79 79 LYS CE C 13 42.049 0.2 . 1 . . . . . 112 LYS CE . 16686 1 987 . 1 1 79 79 LYS CG C 13 24.505 0.2 . 1 . . . . . 112 LYS CG . 16686 1 988 . 1 1 79 79 LYS N N 15 120.632 0.2 . 1 . . . . . 112 LYS N . 16686 1 989 . 1 1 80 80 ASP H H 1 8.387 0.02 . 1 . . . . . 113 ASP H . 16686 1 990 . 1 1 80 80 ASP HA H 1 4.566 0.02 . 1 . . . . . 113 ASP HA . 16686 1 991 . 1 1 80 80 ASP HB2 H 1 2.691 0.02 . 2 . . . . . 113 ASP HB2 . 16686 1 992 . 1 1 80 80 ASP HB3 H 1 2.573 0.02 . 2 . . . . . 113 ASP HB3 . 16686 1 993 . 1 1 80 80 ASP C C 13 175.900 0.2 . 1 . . . . . 113 ASP C . 16686 1 994 . 1 1 80 80 ASP CA C 13 54.427 0.2 . 1 . . . . . 113 ASP CA . 16686 1 995 . 1 1 80 80 ASP CB C 13 40.679 0.2 . 1 . . . . . 113 ASP CB . 16686 1 996 . 1 1 80 80 ASP N N 15 120.379 0.2 . 1 . . . . . 113 ASP N . 16686 1 997 . 1 1 81 81 LEU H H 1 8.032 0.02 . 1 . . . . . 114 LEU H . 16686 1 998 . 1 1 81 81 LEU HA H 1 4.326 0.02 . 1 . . . . . 114 LEU HA . 16686 1 999 . 1 1 81 81 LEU HB2 H 1 1.577 0.02 . 2 . . . . . 114 LEU HB2 . 16686 1 1000 . 1 1 81 81 LEU HB3 H 1 1.577 0.02 . 2 . . . . . 114 LEU HB3 . 16686 1 1001 . 1 1 81 81 LEU HD11 H 1 0.883 0.02 . 1 . . . . . 114 LEU HD1 . 16686 1 1002 . 1 1 81 81 LEU HD12 H 1 0.883 0.02 . 1 . . . . . 114 LEU HD1 . 16686 1 1003 . 1 1 81 81 LEU HD13 H 1 0.883 0.02 . 1 . . . . . 114 LEU HD1 . 16686 1 1004 . 1 1 81 81 LEU HD21 H 1 0.838 0.02 . 1 . . . . . 114 LEU HD2 . 16686 1 1005 . 1 1 81 81 LEU HD22 H 1 0.838 0.02 . 1 . . . . . 114 LEU HD2 . 16686 1 1006 . 1 1 81 81 LEU HD23 H 1 0.838 0.02 . 1 . . . . . 114 LEU HD2 . 16686 1 1007 . 1 1 81 81 LEU HG H 1 1.568 0.02 . 1 . . . . . 114 LEU HG . 16686 1 1008 . 1 1 81 81 LEU C C 13 177.000 0.2 . 1 . . . . . 114 LEU C . 16686 1 1009 . 1 1 81 81 LEU CA C 13 54.771 0.2 . 1 . . . . . 114 LEU CA . 16686 1 1010 . 1 1 81 81 LEU CB C 13 42.200 0.2 . 1 . . . . . 114 LEU CB . 16686 1 1011 . 1 1 81 81 LEU CD1 C 13 24.849 0.2 . 1 . . . . . 114 LEU CD1 . 16686 1 1012 . 1 1 81 81 LEU CD2 C 13 23.176 0.2 . 1 . . . . . 114 LEU CD2 . 16686 1 1013 . 1 1 81 81 LEU CG C 13 26.695 0.2 . 1 . . . . . 114 LEU CG . 16686 1 1014 . 1 1 81 81 LEU N N 15 121.801 0.2 . 1 . . . . . 114 LEU N . 16686 1 1015 . 1 1 82 82 LEU H H 1 8.088 0.02 . 1 . . . . . 115 LEU H . 16686 1 1016 . 1 1 82 82 LEU HA H 1 4.599 0.02 . 1 . . . . . 115 LEU HA . 16686 1 1017 . 1 1 82 82 LEU HB2 H 1 1.611 0.02 . 1 . . . . . 115 LEU HB2 . 16686 1 1018 . 1 1 82 82 LEU HB3 H 1 1.545 0.02 . 1 . . . . . 115 LEU HB3 . 16686 1 1019 . 1 1 82 82 LEU HD11 H 1 0.932 0.02 . 1 . . . . . 115 LEU HD1 . 16686 1 1020 . 1 1 82 82 LEU HD12 H 1 0.932 0.02 . 1 . . . . . 115 LEU HD1 . 16686 1 1021 . 1 1 82 82 LEU HD13 H 1 0.932 0.02 . 1 . . . . . 115 LEU HD1 . 16686 1 1022 . 1 1 82 82 LEU HD21 H 1 0.894 0.02 . 1 . . . . . 115 LEU HD2 . 16686 1 1023 . 1 1 82 82 LEU HD22 H 1 0.894 0.02 . 1 . . . . . 115 LEU HD2 . 16686 1 1024 . 1 1 82 82 LEU HD23 H 1 0.894 0.02 . 1 . . . . . 115 LEU HD2 . 16686 1 1025 . 1 1 82 82 LEU HG H 1 1.657 0.02 . 1 . . . . . 115 LEU HG . 16686 1 1026 . 1 1 82 82 LEU C C 13 175.056 0.2 . 1 . . . . . 115 LEU C . 16686 1 1027 . 1 1 82 82 LEU CA C 13 52.760 0.2 . 1 . . . . . 115 LEU CA . 16686 1 1028 . 1 1 82 82 LEU CB C 13 41.502 0.2 . 1 . . . . . 115 LEU CB . 16686 1 1029 . 1 1 82 82 LEU CD1 C 13 25.144 0.2 . 1 . . . . . 115 LEU CD1 . 16686 1 1030 . 1 1 82 82 LEU CD2 C 13 23.187 0.2 . 1 . . . . . 115 LEU CD2 . 16686 1 1031 . 1 1 82 82 LEU CG C 13 26.849 0.2 . 1 . . . . . 115 LEU CG . 16686 1 1032 . 1 1 82 82 LEU N N 15 124.090 0.2 . 1 . . . . . 115 LEU N . 16686 1 1033 . 1 1 83 83 PRO HA H 1 4.431 0.02 . 1 . . . . . 116 PRO HA . 16686 1 1034 . 1 1 83 83 PRO HB2 H 1 2.254 0.02 . 2 . . . . . 116 PRO HB2 . 16686 1 1035 . 1 1 83 83 PRO HB3 H 1 1.842 0.02 . 2 . . . . . 116 PRO HB3 . 16686 1 1036 . 1 1 83 83 PRO HD2 H 1 3.621 0.02 . 1 . . . . . 116 PRO HD2 . 16686 1 1037 . 1 1 83 83 PRO HD3 H 1 3.815 0.02 . 1 . . . . . 116 PRO HD3 . 16686 1 1038 . 1 1 83 83 PRO HG2 H 1 1.998 0.02 . 2 . . . . . 116 PRO HG2 . 16686 1 1039 . 1 1 83 83 PRO HG3 H 1 1.998 0.02 . 2 . . . . . 116 PRO HG3 . 16686 1 1040 . 1 1 83 83 PRO C C 13 176.739 0.2 . 1 . . . . . 116 PRO C . 16686 1 1041 . 1 1 83 83 PRO CA C 13 62.702 0.2 . 1 . . . . . 116 PRO CA . 16686 1 1042 . 1 1 83 83 PRO CB C 13 31.829 0.2 . 1 . . . . . 116 PRO CB . 16686 1 1043 . 1 1 83 83 PRO CD C 13 50.324 0.2 . 1 . . . . . 116 PRO CD . 16686 1 1044 . 1 1 83 83 PRO CG C 13 27.265 0.2 . 1 . . . . . 116 PRO CG . 16686 1 1045 . 1 1 84 84 VAL H H 1 8.215 0.02 . 1 . . . . . 117 VAL H . 16686 1 1046 . 1 1 84 84 VAL HA H 1 4.062 0.02 . 1 . . . . . 117 VAL HA . 16686 1 1047 . 1 1 84 84 VAL HB H 1 2.025 0.02 . 1 . . . . . 117 VAL HB . 16686 1 1048 . 1 1 84 84 VAL HG11 H 1 0.953 0.02 . 2 . . . . . 117 VAL HG1 . 16686 1 1049 . 1 1 84 84 VAL HG12 H 1 0.953 0.02 . 2 . . . . . 117 VAL HG1 . 16686 1 1050 . 1 1 84 84 VAL HG13 H 1 0.953 0.02 . 2 . . . . . 117 VAL HG1 . 16686 1 1051 . 1 1 84 84 VAL HG21 H 1 0.953 0.02 . 2 . . . . . 117 VAL HG2 . 16686 1 1052 . 1 1 84 84 VAL HG22 H 1 0.953 0.02 . 2 . . . . . 117 VAL HG2 . 16686 1 1053 . 1 1 84 84 VAL HG23 H 1 0.953 0.02 . 2 . . . . . 117 VAL HG2 . 16686 1 1054 . 1 1 84 84 VAL C C 13 176.286 0.2 . 1 . . . . . 117 VAL C . 16686 1 1055 . 1 1 84 84 VAL CA C 13 62.334 0.2 . 1 . . . . . 117 VAL CA . 16686 1 1056 . 1 1 84 84 VAL CB C 13 32.533 0.2 . 1 . . . . . 117 VAL CB . 16686 1 1057 . 1 1 84 84 VAL CG1 C 13 20.719 0.2 . 1 . . . . . 117 VAL CG1 . 16686 1 1058 . 1 1 84 84 VAL CG2 C 13 20.719 0.2 . 1 . . . . . 117 VAL CG2 . 16686 1 1059 . 1 1 84 84 VAL N N 15 121.037 0.2 . 1 . . . . . 117 VAL N . 16686 1 1060 . 1 1 85 85 VAL H H 1 8.184 0.02 . 1 . . . . . 118 VAL H . 16686 1 1061 . 1 1 85 85 VAL HA H 1 4.113 0.02 . 1 . . . . . 118 VAL HA . 16686 1 1062 . 1 1 85 85 VAL HB H 1 2.020 0.02 . 1 . . . . . 118 VAL HB . 16686 1 1063 . 1 1 85 85 VAL HG11 H 1 0.907 0.02 . 2 . . . . . 118 VAL HG1 . 16686 1 1064 . 1 1 85 85 VAL HG12 H 1 0.907 0.02 . 2 . . . . . 118 VAL HG1 . 16686 1 1065 . 1 1 85 85 VAL HG13 H 1 0.907 0.02 . 2 . . . . . 118 VAL HG1 . 16686 1 1066 . 1 1 85 85 VAL HG21 H 1 0.907 0.02 . 2 . . . . . 118 VAL HG2 . 16686 1 1067 . 1 1 85 85 VAL HG22 H 1 0.907 0.02 . 2 . . . . . 118 VAL HG2 . 16686 1 1068 . 1 1 85 85 VAL HG23 H 1 0.907 0.02 . 2 . . . . . 118 VAL HG2 . 16686 1 1069 . 1 1 85 85 VAL C C 13 175.744 0.2 . 1 . . . . . 118 VAL C . 16686 1 1070 . 1 1 85 85 VAL CA C 13 61.995 0.2 . 1 . . . . . 118 VAL CA . 16686 1 1071 . 1 1 85 85 VAL CB C 13 32.755 0.2 . 1 . . . . . 118 VAL CB . 16686 1 1072 . 1 1 85 85 VAL CG1 C 13 20.751 0.2 . 1 . . . . . 118 VAL CG1 . 16686 1 1073 . 1 1 85 85 VAL CG2 C 13 20.751 0.2 . 1 . . . . . 118 VAL CG2 . 16686 1 1074 . 1 1 85 85 VAL N N 15 124.450 0.2 . 1 . . . . . 118 VAL N . 16686 1 1075 . 1 1 86 86 GLU H H 1 8.422 0.02 . 1 . . . . . 119 GLU H . 16686 1 1076 . 1 1 86 86 GLU HA H 1 4.300 0.02 . 1 . . . . . 119 GLU HA . 16686 1 1077 . 1 1 86 86 GLU HB2 H 1 1.889 0.02 . 2 . . . . . 119 GLU HB2 . 16686 1 1078 . 1 1 86 86 GLU HB3 H 1 1.976 0.02 . 2 . . . . . 119 GLU HB3 . 16686 1 1079 . 1 1 86 86 GLU HG2 H 1 2.158 0.02 . 2 . . . . . 119 GLU HG2 . 16686 1 1080 . 1 1 86 86 GLU HG3 H 1 2.238 0.02 . 2 . . . . . 119 GLU HG3 . 16686 1 1081 . 1 1 86 86 GLU C C 13 175.979 0.2 . 1 . . . . . 119 GLU C . 16686 1 1082 . 1 1 86 86 GLU CA C 13 56.160 0.2 . 1 . . . . . 119 GLU CA . 16686 1 1083 . 1 1 86 86 GLU CB C 13 30.367 0.2 . 1 . . . . . 119 GLU CB . 16686 1 1084 . 1 1 86 86 GLU CG C 13 36.157 0.2 . 1 . . . . . 119 GLU CG . 16686 1 1085 . 1 1 86 86 GLU N N 15 125.283 0.2 . 1 . . . . . 119 GLU N . 16686 1 1086 . 1 1 87 87 ILE H H 1 8.277 0.02 . 1 . . . . . 120 ILE H . 16686 1 1087 . 1 1 87 87 ILE HA H 1 4.132 0.02 . 1 . . . . . 120 ILE HA . 16686 1 1088 . 1 1 87 87 ILE HB H 1 1.831 0.02 . 1 . . . . . 120 ILE HB . 16686 1 1089 . 1 1 87 87 ILE HD11 H 1 0.839 0.02 . 1 . . . . . 120 ILE HD1 . 16686 1 1090 . 1 1 87 87 ILE HD12 H 1 0.839 0.02 . 1 . . . . . 120 ILE HD1 . 16686 1 1091 . 1 1 87 87 ILE HD13 H 1 0.839 0.02 . 1 . . . . . 120 ILE HD1 . 16686 1 1092 . 1 1 87 87 ILE HG12 H 1 1.466 0.02 . 2 . . . . . 120 ILE HG12 . 16686 1 1093 . 1 1 87 87 ILE HG13 H 1 1.158 0.02 . 2 . . . . . 120 ILE HG13 . 16686 1 1094 . 1 1 87 87 ILE HG21 H 1 0.852 0.02 . 1 . . . . . 120 ILE HG2 . 16686 1 1095 . 1 1 87 87 ILE HG22 H 1 0.852 0.02 . 1 . . . . . 120 ILE HG2 . 16686 1 1096 . 1 1 87 87 ILE HG23 H 1 0.852 0.02 . 1 . . . . . 120 ILE HG2 . 16686 1 1097 . 1 1 87 87 ILE C C 13 175.822 0.2 . 1 . . . . . 120 ILE C . 16686 1 1098 . 1 1 87 87 ILE CA C 13 60.882 0.2 . 1 . . . . . 120 ILE CA . 16686 1 1099 . 1 1 87 87 ILE CB C 13 38.581 0.2 . 1 . . . . . 120 ILE CB . 16686 1 1100 . 1 1 87 87 ILE CD1 C 13 12.488 0.2 . 1 . . . . . 120 ILE CD1 . 16686 1 1101 . 1 1 87 87 ILE CG1 C 13 27.177 0.2 . 1 . . . . . 120 ILE CG1 . 16686 1 1102 . 1 1 87 87 ILE CG2 C 13 17.300 0.2 . 1 . . . . . 120 ILE CG2 . 16686 1 1103 . 1 1 87 87 ILE N N 15 123.475 0.2 . 1 . . . . . 120 ILE N . 16686 1 1104 . 1 1 88 88 ILE H H 1 8.278 0.02 . 1 . . . . . 121 ILE H . 16686 1 1105 . 1 1 88 88 ILE HA H 1 4.150 0.02 . 1 . . . . . 121 ILE HA . 16686 1 1106 . 1 1 88 88 ILE HB H 1 1.832 0.02 . 1 . . . . . 121 ILE HB . 16686 1 1107 . 1 1 88 88 ILE HD11 H 1 0.821 0.02 . 1 . . . . . 121 ILE HD1 . 16686 1 1108 . 1 1 88 88 ILE HD12 H 1 0.821 0.02 . 1 . . . . . 121 ILE HD1 . 16686 1 1109 . 1 1 88 88 ILE HD13 H 1 0.821 0.02 . 1 . . . . . 121 ILE HD1 . 16686 1 1110 . 1 1 88 88 ILE HG12 H 1 1.443 0.02 . 2 . . . . . 121 ILE HG12 . 16686 1 1111 . 1 1 88 88 ILE HG13 H 1 1.163 0.02 . 2 . . . . . 121 ILE HG13 . 16686 1 1112 . 1 1 88 88 ILE HG21 H 1 0.862 0.02 . 1 . . . . . 121 ILE HG2 . 16686 1 1113 . 1 1 88 88 ILE HG22 H 1 0.862 0.02 . 1 . . . . . 121 ILE HG2 . 16686 1 1114 . 1 1 88 88 ILE HG23 H 1 0.862 0.02 . 1 . . . . . 121 ILE HG2 . 16686 1 1115 . 1 1 88 88 ILE C C 13 175.884 0.2 . 1 . . . . . 121 ILE C . 16686 1 1116 . 1 1 88 88 ILE CA C 13 60.815 0.2 . 1 . . . . . 121 ILE CA . 16686 1 1117 . 1 1 88 88 ILE CB C 13 38.554 0.2 . 1 . . . . . 121 ILE CB . 16686 1 1118 . 1 1 88 88 ILE CD1 C 13 12.506 0.2 . 1 . . . . . 121 ILE CD1 . 16686 1 1119 . 1 1 88 88 ILE CG1 C 13 27.141 0.2 . 1 . . . . . 121 ILE CG1 . 16686 1 1120 . 1 1 88 88 ILE CG2 C 13 17.206 0.2 . 1 . . . . . 121 ILE CG2 . 16686 1 1121 . 1 1 88 88 ILE N N 15 125.685 0.2 . 1 . . . . . 121 ILE N . 16686 1 1122 . 1 1 89 89 ASN H H 1 8.554 0.02 . 1 . . . . . 122 ASN H . 16686 1 1123 . 1 1 89 89 ASN HA H 1 4.750 0.02 . 1 . . . . . 122 ASN HA . 16686 1 1124 . 1 1 89 89 ASN HB2 H 1 2.778 0.02 . 2 . . . . . 122 ASN HB2 . 16686 1 1125 . 1 1 89 89 ASN HB3 H 1 2.858 0.02 . 2 . . . . . 122 ASN HB3 . 16686 1 1126 . 1 1 89 89 ASN HD21 H 1 7.624 0.02 . 2 . . . . . 122 ASN HD21 . 16686 1 1127 . 1 1 89 89 ASN HD22 H 1 6.918 0.02 . 2 . . . . . 122 ASN HD22 . 16686 1 1128 . 1 1 89 89 ASN C C 13 175.353 0.2 . 1 . . . . . 122 ASN C . 16686 1 1129 . 1 1 89 89 ASN CA C 13 53.007 0.2 . 1 . . . . . 122 ASN CA . 16686 1 1130 . 1 1 89 89 ASN CB C 13 38.642 0.2 . 1 . . . . . 122 ASN CB . 16686 1 1131 . 1 1 89 89 ASN N N 15 123.393 0.2 . 1 . . . . . 122 ASN N . 16686 1 1132 . 1 1 89 89 ASN ND2 N 15 112.595 0.2 . 1 . . . . . 122 ASN ND2 . 16686 1 1133 . 1 1 90 90 SER H H 1 8.370 0.02 . 1 . . . . . 123 SER H . 16686 1 1134 . 1 1 90 90 SER HA H 1 4.370 0.02 . 1 . . . . . 123 SER HA . 16686 1 1135 . 1 1 90 90 SER HB2 H 1 3.846 0.02 . 2 . . . . . 123 SER HB2 . 16686 1 1136 . 1 1 90 90 SER HB3 H 1 3.933 0.02 . 2 . . . . . 123 SER HB3 . 16686 1 1137 . 1 1 90 90 SER C C 13 174.806 0.2 . 1 . . . . . 123 SER C . 16686 1 1138 . 1 1 90 90 SER CA C 13 58.841 0.2 . 1 . . . . . 123 SER CA . 16686 1 1139 . 1 1 90 90 SER CB C 13 63.631 0.2 . 1 . . . . . 123 SER CB . 16686 1 1140 . 1 1 90 90 SER N N 15 117.161 0.2 . 1 . . . . . 123 SER N . 16686 1 1141 . 1 1 91 91 GLU H H 1 8.447 0.02 . 1 . . . . . 124 GLU H . 16686 1 1142 . 1 1 91 91 GLU HA H 1 4.250 0.02 . 1 . . . . . 124 GLU HA . 16686 1 1143 . 1 1 91 91 GLU HB2 H 1 1.970 0.02 . 2 . . . . . 124 GLU HB2 . 16686 1 1144 . 1 1 91 91 GLU HB3 H 1 2.078 0.02 . 2 . . . . . 124 GLU HB3 . 16686 1 1145 . 1 1 91 91 GLU HG2 H 1 2.288 0.02 . 2 . . . . . 124 GLU HG2 . 16686 1 1146 . 1 1 91 91 GLU HG3 H 1 2.251 0.02 . 2 . . . . . 124 GLU HG3 . 16686 1 1147 . 1 1 91 91 GLU C C 13 176.604 0.2 . 1 . . . . . 124 GLU C . 16686 1 1148 . 1 1 91 91 GLU CA C 13 56.860 0.2 . 1 . . . . . 124 GLU CA . 16686 1 1149 . 1 1 91 91 GLU CB C 13 29.680 0.2 . 1 . . . . . 124 GLU CB . 16686 1 1150 . 1 1 91 91 GLU CG C 13 36.128 0.2 . 1 . . . . . 124 GLU CG . 16686 1 1151 . 1 1 91 91 GLU N N 15 122.463 0.2 . 1 . . . . . 124 GLU N . 16686 1 1152 . 1 1 92 92 ALA H H 1 8.096 0.02 . 1 . . . . . 125 ALA H . 16686 1 1153 . 1 1 92 92 ALA HA H 1 4.229 0.02 . 1 . . . . . 125 ALA HA . 16686 1 1154 . 1 1 92 92 ALA HB1 H 1 1.380 0.02 . 1 . . . . . 125 ALA HB . 16686 1 1155 . 1 1 92 92 ALA HB2 H 1 1.380 0.02 . 1 . . . . . 125 ALA HB . 16686 1 1156 . 1 1 92 92 ALA HB3 H 1 1.380 0.02 . 1 . . . . . 125 ALA HB . 16686 1 1157 . 1 1 92 92 ALA C C 13 177.854 0.2 . 1 . . . . . 125 ALA C . 16686 1 1158 . 1 1 92 92 ALA CA C 13 52.733 0.2 . 1 . . . . . 125 ALA CA . 16686 1 1159 . 1 1 92 92 ALA CB C 13 18.833 0.2 . 1 . . . . . 125 ALA CB . 16686 1 1160 . 1 1 92 92 ALA N N 15 123.703 0.2 . 1 . . . . . 125 ALA N . 16686 1 1161 . 1 1 93 93 ALA H H 1 8.101 0.02 . 1 . . . . . 126 ALA H . 16686 1 1162 . 1 1 93 93 ALA HA H 1 4.259 0.02 . 1 . . . . . 126 ALA HA . 16686 1 1163 . 1 1 93 93 ALA HB1 H 1 1.379 0.02 . 1 . . . . . 126 ALA HB . 16686 1 1164 . 1 1 93 93 ALA HB2 H 1 1.379 0.02 . 1 . . . . . 126 ALA HB . 16686 1 1165 . 1 1 93 93 ALA HB3 H 1 1.379 0.02 . 1 . . . . . 126 ALA HB . 16686 1 1166 . 1 1 93 93 ALA C C 13 178.088 0.2 . 1 . . . . . 126 ALA C . 16686 1 1167 . 1 1 93 93 ALA CA C 13 52.721 0.2 . 1 . . . . . 126 ALA CA . 16686 1 1168 . 1 1 93 93 ALA CB C 13 18.973 0.2 . 1 . . . . . 126 ALA CB . 16686 1 1169 . 1 1 93 93 ALA N N 15 122.461 0.2 . 1 . . . . . 126 ALA N . 16686 1 1170 . 1 1 94 94 VAL H H 1 7.926 0.02 . 1 . . . . . 127 VAL H . 16686 1 1171 . 1 1 94 94 VAL HA H 1 4.000 0.02 . 1 . . . . . 127 VAL HA . 16686 1 1172 . 1 1 94 94 VAL HB H 1 2.067 0.02 . 1 . . . . . 127 VAL HB . 16686 1 1173 . 1 1 94 94 VAL HG11 H 1 0.892 0.02 . 1 . . . . . 127 VAL HG1 . 16686 1 1174 . 1 1 94 94 VAL HG12 H 1 0.892 0.02 . 1 . . . . . 127 VAL HG1 . 16686 1 1175 . 1 1 94 94 VAL HG13 H 1 0.892 0.02 . 1 . . . . . 127 VAL HG1 . 16686 1 1176 . 1 1 94 94 VAL HG21 H 1 0.940 0.02 . 1 . . . . . 127 VAL HG2 . 16686 1 1177 . 1 1 94 94 VAL HG22 H 1 0.940 0.02 . 1 . . . . . 127 VAL HG2 . 16686 1 1178 . 1 1 94 94 VAL HG23 H 1 0.940 0.02 . 1 . . . . . 127 VAL HG2 . 16686 1 1179 . 1 1 94 94 VAL C C 13 176.447 0.2 . 1 . . . . . 127 VAL C . 16686 1 1180 . 1 1 94 94 VAL CA C 13 62.674 0.2 . 1 . . . . . 127 VAL CA . 16686 1 1181 . 1 1 94 94 VAL CB C 13 32.380 0.2 . 1 . . . . . 127 VAL CB . 16686 1 1182 . 1 1 94 94 VAL CG1 C 13 21.020 0.2 . 1 . . . . . 127 VAL CG1 . 16686 1 1183 . 1 1 94 94 VAL CG2 C 13 20.739 0.2 . 1 . . . . . 127 VAL CG2 . 16686 1 1184 . 1 1 94 94 VAL N N 15 118.780 0.2 . 1 . . . . . 127 VAL N . 16686 1 1185 . 1 1 95 95 LEU H H 1 8.129 0.02 . 1 . . . . . 128 LEU H . 16686 1 1186 . 1 1 95 95 LEU HA H 1 4.278 0.02 . 1 . . . . . 128 LEU HA . 16686 1 1187 . 1 1 95 95 LEU HB2 H 1 1.602 0.02 . 2 . . . . . 128 LEU HB2 . 16686 1 1188 . 1 1 95 95 LEU HB3 H 1 1.493 0.02 . 2 . . . . . 128 LEU HB3 . 16686 1 1189 . 1 1 95 95 LEU HD11 H 1 0.889 0.02 . 1 . . . . . 128 LEU HD1 . 16686 1 1190 . 1 1 95 95 LEU HD12 H 1 0.889 0.02 . 1 . . . . . 128 LEU HD1 . 16686 1 1191 . 1 1 95 95 LEU HD13 H 1 0.889 0.02 . 1 . . . . . 128 LEU HD1 . 16686 1 1192 . 1 1 95 95 LEU HD21 H 1 0.827 0.02 . 1 . . . . . 128 LEU HD2 . 16686 1 1193 . 1 1 95 95 LEU HD22 H 1 0.827 0.02 . 1 . . . . . 128 LEU HD2 . 16686 1 1194 . 1 1 95 95 LEU HD23 H 1 0.827 0.02 . 1 . . . . . 128 LEU HD2 . 16686 1 1195 . 1 1 95 95 LEU HG H 1 1.586 0.02 . 1 . . . . . 128 LEU HG . 16686 1 1196 . 1 1 95 95 LEU C C 13 177.385 0.2 . 1 . . . . . 128 LEU C . 16686 1 1197 . 1 1 95 95 LEU CA C 13 55.123 0.2 . 1 . . . . . 128 LEU CA . 16686 1 1198 . 1 1 95 95 LEU CB C 13 42.069 0.2 . 1 . . . . . 128 LEU CB . 16686 1 1199 . 1 1 95 95 LEU CD1 C 13 24.877 0.2 . 1 . . . . . 128 LEU CD1 . 16686 1 1200 . 1 1 95 95 LEU CD2 C 13 23.162 0.2 . 1 . . . . . 128 LEU CD2 . 16686 1 1201 . 1 1 95 95 LEU CG C 13 26.723 0.2 . 1 . . . . . 128 LEU CG . 16686 1 1202 . 1 1 95 95 LEU N N 15 124.705 0.2 . 1 . . . . . 128 LEU N . 16686 1 1203 . 1 1 96 96 GLU H H 1 8.180 0.02 . 1 . . . . . 129 GLU H . 16686 1 1204 . 1 1 96 96 GLU HA H 1 4.161 0.02 . 1 . . . . . 129 GLU HA . 16686 1 1205 . 1 1 96 96 GLU HB2 H 1 1.893 0.02 . 2 . . . . . 129 GLU HB2 . 16686 1 1206 . 1 1 96 96 GLU HB3 H 1 1.893 0.02 . 2 . . . . . 129 GLU HB3 . 16686 1 1207 . 1 1 96 96 GLU HG2 H 1 2.202 0.02 . 2 . . . . . 129 GLU HG2 . 16686 1 1208 . 1 1 96 96 GLU HG3 H 1 2.140 0.02 . 2 . . . . . 129 GLU HG3 . 16686 1 1209 . 1 1 96 96 GLU C C 13 176.291 0.2 . 1 . . . . . 129 GLU C . 16686 1 1210 . 1 1 96 96 GLU CA C 13 56.525 0.2 . 1 . . . . . 129 GLU CA . 16686 1 1211 . 1 1 96 96 GLU CB C 13 30.069 0.2 . 1 . . . . . 129 GLU CB . 16686 1 1212 . 1 1 96 96 GLU CG C 13 35.890 0.2 . 1 . . . . . 129 GLU CG . 16686 1 1213 . 1 1 96 96 GLU N N 15 120.832 0.2 . 1 . . . . . 129 GLU N . 16686 1 1214 . 1 1 97 97 HIS H H 1 8.250 0.02 . 1 . . . . . 130 HIS H . 16686 1 1215 . 1 1 97 97 HIS C C 13 174.927 0.2 . 1 . . . . . 130 HIS C . 16686 1 1216 . 1 1 97 97 HIS CA C 13 55.600 0.2 . 1 . . . . . 130 HIS CA . 16686 1 1217 . 1 1 97 97 HIS CB C 13 29.700 0.2 . 1 . . . . . 130 HIS CB . 16686 1 1218 . 1 1 97 97 HIS N N 15 119.197 0.2 . 1 . . . . . 130 HIS N . 16686 1 stop_ save_