################################### # 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 18817 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-15N HSQC' . . . 18817 1 4 '3D HNCO' . . . 18817 1 7 '3D HNCACB' . . . 18817 1 9 '3D HBHA(CO)NH' . . . 18817 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 172.027 . . 1 . . . A 2 SER C . 18817 1 2 . 1 1 2 2 SER CA C 13 56.474 . . 1 . . . A 2 SER CA . 18817 1 3 . 1 1 2 2 SER CB C 13 63.484 . . 1 . . . A 2 SER CB . 18817 1 4 . 1 1 3 3 THR H H 1 8.964 . . 1 . . . A 3 THR H . 18817 1 5 . 1 1 3 3 THR C C 13 175.867 . . 1 . . . A 3 THR C . 18817 1 6 . 1 1 3 3 THR CA C 13 65.068 . . 1 . . . A 3 THR CA . 18817 1 7 . 1 1 3 3 THR CB C 13 68.441 . . 1 . . . A 3 THR CB . 18817 1 8 . 1 1 3 3 THR N N 15 119.004 . . 1 . . . A 3 THR N . 18817 1 9 . 1 1 4 4 LEU H H 1 8.487 . . 1 . . . A 4 LEU H . 18817 1 10 . 1 1 4 4 LEU C C 13 178.886 . . 1 . . . A 4 LEU C . 18817 1 11 . 1 1 4 4 LEU CA C 13 57.246 . . 1 . . . A 4 LEU CA . 18817 1 12 . 1 1 4 4 LEU CB C 13 40.645 . . 1 . . . A 4 LEU CB . 18817 1 13 . 1 1 4 4 LEU N N 15 121.518 . . 1 . . . A 4 LEU N . 18817 1 14 . 1 1 5 5 SER H H 1 8.289 . . 1 . . . A 5 SER H . 18817 1 15 . 1 1 5 5 SER C C 13 176.676 . . 1 . . . A 5 SER C . 18817 1 16 . 1 1 5 5 SER CA C 13 60.827 . . 1 . . . A 5 SER CA . 18817 1 17 . 1 1 5 5 SER CB C 13 61.776 . . 1 . . . A 5 SER CB . 18817 1 18 . 1 1 5 5 SER N N 15 117.162 . . 1 . . . A 5 SER N . 18817 1 19 . 1 1 6 6 ASN H H 1 8.160 . . 1 . . . A 6 ASN H . 18817 1 20 . 1 1 6 6 ASN HA H 1 4.230 . . 1 . . . A 6 ASN HA . 18817 1 21 . 1 1 6 6 ASN HB2 H 1 2.027 . . 2 . . . A 6 ASN HB2 . 18817 1 22 . 1 1 6 6 ASN HB3 H 1 1.931 . . 2 . . . A 6 ASN HB3 . 18817 1 23 . 1 1 6 6 ASN C C 13 177.833 . . 1 . . . A 6 ASN C . 18817 1 24 . 1 1 6 6 ASN CA C 13 55.400 . . 1 . . . A 6 ASN CA . 18817 1 25 . 1 1 6 6 ASN CB C 13 37.348 . . 1 . . . A 6 ASN CB . 18817 1 26 . 1 1 6 6 ASN N N 15 122.387 . . 1 . . . A 6 ASN N . 18817 1 27 . 1 1 7 7 PHE H H 1 8.254 . . 1 . . . A 7 PHE H . 18817 1 28 . 1 1 7 7 PHE C C 13 177.171 . . 1 . . . A 7 PHE C . 18817 1 29 . 1 1 7 7 PHE CA C 13 60.731 . . 1 . . . A 7 PHE CA . 18817 1 30 . 1 1 7 7 PHE CB C 13 38.693 . . 1 . . . A 7 PHE CB . 18817 1 31 . 1 1 7 7 PHE N N 15 121.724 . . 1 . . . A 7 PHE N . 18817 1 32 . 1 1 8 8 THR H H 1 8.399 . . 1 . . . A 8 THR H . 18817 1 33 . 1 1 8 8 THR HA H 1 4.278 . . 1 . . . A 8 THR HA . 18817 1 34 . 1 1 8 8 THR HG21 H 1 1.371 . . 1 . . . A 8 THR HG21 . 18817 1 35 . 1 1 8 8 THR HG22 H 1 1.371 . . 1 . . . A 8 THR HG22 . 18817 1 36 . 1 1 8 8 THR HG23 H 1 1.371 . . 1 . . . A 8 THR HG23 . 18817 1 37 . 1 1 8 8 THR C C 13 176.016 . . 1 . . . A 8 THR C . 18817 1 38 . 1 1 8 8 THR CA C 13 66.400 . . 1 . . . A 8 THR CA . 18817 1 39 . 1 1 8 8 THR CB C 13 67.084 . . 1 . . . A 8 THR CB . 18817 1 40 . 1 1 8 8 THR N N 15 113.736 . . 1 . . . A 8 THR N . 18817 1 41 . 1 1 9 9 GLN H H 1 7.942 . . 1 . . . A 9 GLN H . 18817 1 42 . 1 1 9 9 GLN C C 13 178.464 . . 1 . . . A 9 GLN C . 18817 1 43 . 1 1 9 9 GLN CA C 13 58.448 . . 1 . . . A 9 GLN CA . 18817 1 44 . 1 1 9 9 GLN CB C 13 27.564 . . 1 . . . A 9 GLN CB . 18817 1 45 . 1 1 9 9 GLN N N 15 121.349 . . 1 . . . A 9 GLN N . 18817 1 46 . 1 1 10 10 THR H H 1 7.767 . . 1 . . . A 10 THR H . 18817 1 47 . 1 1 10 10 THR HA H 1 4.278 . . 1 . . . A 10 THR HA . 18817 1 48 . 1 1 10 10 THR HG21 H 1 1.371 . . 1 . . . A 10 THR HG21 . 18817 1 49 . 1 1 10 10 THR HG22 H 1 1.371 . . 1 . . . A 10 THR HG22 . 18817 1 50 . 1 1 10 10 THR HG23 H 1 1.371 . . 1 . . . A 10 THR HG23 . 18817 1 51 . 1 1 10 10 THR C C 13 176.380 . . 1 . . . A 10 THR C . 18817 1 52 . 1 1 10 10 THR CA C 13 66.353 . . 1 . . . A 10 THR CA . 18817 1 53 . 1 1 10 10 THR CB C 13 67.910 . . 1 . . . A 10 THR CB . 18817 1 54 . 1 1 10 10 THR N N 15 117.451 . . 1 . . . A 10 THR N . 18817 1 55 . 1 1 11 11 LEU H H 1 7.958 . . 1 . . . A 11 LEU H . 18817 1 56 . 1 1 11 11 LEU C C 13 178.255 . . 1 . . . A 11 LEU C . 18817 1 57 . 1 1 11 11 LEU CA C 13 57.614 . . 1 . . . A 11 LEU CA . 18817 1 58 . 1 1 11 11 LEU CB C 13 40.574 . . 1 . . . A 11 LEU CB . 18817 1 59 . 1 1 11 11 LEU N N 15 121.448 . . 1 . . . A 11 LEU N . 18817 1 60 . 1 1 12 12 GLU H H 1 8.206 . . 1 . . . A 12 GLU H . 18817 1 61 . 1 1 12 12 GLU C C 13 177.809 . . 1 . . . A 12 GLU C . 18817 1 62 . 1 1 12 12 GLU CA C 13 59.675 . . 1 . . . A 12 GLU CA . 18817 1 63 . 1 1 12 12 GLU CB C 13 27.358 . . 1 . . . A 12 GLU CB . 18817 1 64 . 1 1 12 12 GLU N N 15 117.911 . . 1 . . . A 12 GLU N . 18817 1 65 . 1 1 13 13 ASP C C 13 178.880 . . 1 . . . A 13 ASP C . 18817 1 66 . 1 1 13 13 ASP CA C 13 58.468 . . 1 . . . A 13 ASP CA . 18817 1 67 . 1 1 13 13 ASP CB C 13 40.613 . . 1 . . . A 13 ASP CB . 18817 1 68 . 1 1 14 14 VAL H H 1 8.943 . . 1 . . . A 14 VAL H . 18817 1 69 . 1 1 14 14 VAL C C 13 177.885 . . 1 . . . A 14 VAL C . 18817 1 70 . 1 1 14 14 VAL CA C 13 66.212 . . 1 . . . A 14 VAL CA . 18817 1 71 . 1 1 14 14 VAL CB C 13 30.614 . . 1 . . . A 14 VAL CB . 18817 1 72 . 1 1 14 14 VAL N N 15 118.703 . . 1 . . . A 14 VAL N . 18817 1 73 . 1 1 15 15 PHE H H 1 8.379 . . 1 . . . A 15 PHE H . 18817 1 74 . 1 1 15 15 PHE C C 13 177.542 . . 1 . . . A 15 PHE C . 18817 1 75 . 1 1 15 15 PHE CA C 13 61.165 . . 1 . . . A 15 PHE CA . 18817 1 76 . 1 1 15 15 PHE CB C 13 37.723 . . 1 . . . A 15 PHE CB . 18817 1 77 . 1 1 15 15 PHE N N 15 118.897 . . 1 . . . A 15 PHE N . 18817 1 78 . 1 1 16 16 ARG H H 1 8.455 . . 1 . . . A 16 ARG H . 18817 1 79 . 1 1 16 16 ARG C C 13 177.852 . . 1 . . . A 16 ARG C . 18817 1 80 . 1 1 16 16 ARG CA C 13 59.972 . . 1 . . . A 16 ARG CA . 18817 1 81 . 1 1 16 16 ARG CB C 13 29.491 . . 1 . . . A 16 ARG CB . 18817 1 82 . 1 1 16 16 ARG N N 15 119.285 . . 1 . . . A 16 ARG N . 18817 1 83 . 1 1 17 17 ARG H H 1 7.816 . . 1 . . . A 17 ARG H . 18817 1 84 . 1 1 17 17 ARG C C 13 179.606 . . 1 . . . A 17 ARG C . 18817 1 85 . 1 1 17 17 ARG CA C 13 58.965 . . 1 . . . A 17 ARG CA . 18817 1 86 . 1 1 17 17 ARG CB C 13 29.220 . . 1 . . . A 17 ARG CB . 18817 1 87 . 1 1 17 17 ARG N N 15 117.721 . . 1 . . . A 17 ARG N . 18817 1 88 . 1 1 18 18 ILE H H 1 8.180 . . 1 . . . A 18 ILE H . 18817 1 89 . 1 1 18 18 ILE C C 13 177.115 . . 1 . . . A 18 ILE C . 18817 1 90 . 1 1 18 18 ILE CA C 13 64.570 . . 1 . . . A 18 ILE CA . 18817 1 91 . 1 1 18 18 ILE CB C 13 37.150 . . 1 . . . A 18 ILE CB . 18817 1 92 . 1 1 18 18 ILE N N 15 121.097 . . 1 . . . A 18 ILE N . 18817 1 93 . 1 1 19 19 PHE H H 1 8.407 . . 1 . . . A 19 PHE H . 18817 1 94 . 1 1 19 19 PHE C C 13 177.154 . . 1 . . . A 19 PHE C . 18817 1 95 . 1 1 19 19 PHE CA C 13 61.665 . . 1 . . . A 19 PHE CA . 18817 1 96 . 1 1 19 19 PHE CB C 13 38.609 . . 1 . . . A 19 PHE CB . 18817 1 97 . 1 1 19 19 PHE N N 15 120.545 . . 1 . . . A 19 PHE N . 18817 1 98 . 1 1 20 20 ILE H H 1 8.350 . . 1 . . . A 20 ILE H . 18817 1 99 . 1 1 20 20 ILE C C 13 177.915 . . 1 . . . A 20 ILE C . 18817 1 100 . 1 1 20 20 ILE CA C 13 63.965 . . 1 . . . A 20 ILE CA . 18817 1 101 . 1 1 20 20 ILE CB C 13 36.828 . . 1 . . . A 20 ILE CB . 18817 1 102 . 1 1 20 20 ILE N N 15 118.206 . . 1 . . . A 20 ILE N . 18817 1 103 . 1 1 21 21 THR H H 1 7.692 . . 1 . . . A 21 THR H . 18817 1 104 . 1 1 21 21 THR C C 13 176.419 . . 1 . . . A 21 THR C . 18817 1 105 . 1 1 21 21 THR CA C 13 66.069 . . 1 . . . A 21 THR CA . 18817 1 106 . 1 1 21 21 THR CB C 13 68.168 . . 1 . . . A 21 THR CB . 18817 1 107 . 1 1 21 21 THR N N 15 116.423 . . 1 . . . A 21 THR N . 18817 1 108 . 1 1 22 22 TYR H H 1 8.028 . . 1 . . . A 22 TYR H . 18817 1 109 . 1 1 22 22 TYR C C 13 177.398 . . 1 . . . A 22 TYR C . 18817 1 110 . 1 1 22 22 TYR CA C 13 60.953 . . 1 . . . A 22 TYR CA . 18817 1 111 . 1 1 22 22 TYR CB C 13 37.643 . . 1 . . . A 22 TYR CB . 18817 1 112 . 1 1 22 22 TYR N N 15 121.108 . . 1 . . . A 22 TYR N . 18817 1 113 . 1 1 23 23 MET H H 1 8.135 . . 1 . . . A 23 MET H . 18817 1 114 . 1 1 23 23 MET C C 13 178.156 . . 1 . . . A 23 MET C . 18817 1 115 . 1 1 23 23 MET CA C 13 57.078 . . 1 . . . A 23 MET CA . 18817 1 116 . 1 1 23 23 MET CB C 13 30.583 . . 1 . . . A 23 MET CB . 18817 1 117 . 1 1 23 23 MET N N 15 118.337 . . 1 . . . A 23 MET N . 18817 1 118 . 1 1 24 24 ASP H H 1 8.208 . . 1 . . . A 24 ASP H . 18817 1 119 . 1 1 24 24 ASP C C 13 177.682 . . 1 . . . A 24 ASP C . 18817 1 120 . 1 1 24 24 ASP CA C 13 56.222 . . 1 . . . A 24 ASP CA . 18817 1 121 . 1 1 24 24 ASP CB C 13 39.820 . . 1 . . . A 24 ASP CB . 18817 1 122 . 1 1 24 24 ASP N N 15 118.883 . . 1 . . . A 24 ASP N . 18817 1 123 . 1 1 25 25 ASN H H 1 7.746 . . 1 . . . A 25 ASN H . 18817 1 124 . 1 1 25 25 ASN C C 13 176.452 . . 1 . . . A 25 ASN C . 18817 1 125 . 1 1 25 25 ASN CA C 13 54.859 . . 1 . . . A 25 ASN CA . 18817 1 126 . 1 1 25 25 ASN CB C 13 38.679 . . 1 . . . A 25 ASN CB . 18817 1 127 . 1 1 25 25 ASN N N 15 116.989 . . 1 . . . A 25 ASN N . 18817 1 128 . 1 1 26 26 TRP H H 1 7.951 . . 1 . . . A 26 TRP H . 18817 1 129 . 1 1 26 26 TRP C C 13 177.694 . . 1 . . . A 26 TRP C . 18817 1 130 . 1 1 26 26 TRP CA C 13 58.922 . . 1 . . . A 26 TRP CA . 18817 1 131 . 1 1 26 26 TRP CB C 13 28.772 . . 1 . . . A 26 TRP CB . 18817 1 132 . 1 1 26 26 TRP N N 15 120.811 . . 1 . . . A 26 TRP N . 18817 1 133 . 1 1 27 27 ARG H H 1 7.971 . . 1 . . . A 27 ARG H . 18817 1 134 . 1 1 27 27 ARG C C 13 177.355 . . 1 . . . A 27 ARG C . 18817 1 135 . 1 1 27 27 ARG CA C 13 57.844 . . 1 . . . A 27 ARG CA . 18817 1 136 . 1 1 27 27 ARG CB C 13 29.249 . . 1 . . . A 27 ARG CB . 18817 1 137 . 1 1 27 27 ARG N N 15 119.926 . . 1 . . . A 27 ARG N . 18817 1 138 . 1 1 28 28 GLN H H 1 7.868 . . 1 . . . A 28 GLN H . 18817 1 139 . 1 1 28 28 GLN C C 13 176.547 . . 1 . . . A 28 GLN C . 18817 1 140 . 1 1 28 28 GLN CA C 13 56.751 . . 1 . . . A 28 GLN CA . 18817 1 141 . 1 1 28 28 GLN CB C 13 28.167 . . 1 . . . A 28 GLN CB . 18817 1 142 . 1 1 28 28 GLN N N 15 118.022 . . 1 . . . A 28 GLN N . 18817 1 143 . 1 1 29 29 ASN H H 1 7.915 . . 1 . . . A 29 ASN H . 18817 1 144 . 1 1 29 29 ASN C C 13 175.576 . . 1 . . . A 29 ASN C . 18817 1 145 . 1 1 29 29 ASN CA C 13 53.311 . . 1 . . . A 29 ASN CA . 18817 1 146 . 1 1 29 29 ASN CB C 13 38.530 . . 1 . . . A 29 ASN CB . 18817 1 147 . 1 1 29 29 ASN N N 15 118.257 . . 1 . . . A 29 ASN N . 18817 1 148 . 1 1 30 30 THR H H 1 7.840 . . 1 . . . A 30 THR H . 18817 1 149 . 1 1 30 30 THR HA H 1 4.348 . . 1 . . . A 30 THR HA . 18817 1 150 . 1 1 30 30 THR HB H 1 4.206 . . 1 . . . A 30 THR HB . 18817 1 151 . 1 1 30 30 THR C C 13 175.453 . . 1 . . . A 30 THR C . 18817 1 152 . 1 1 30 30 THR CA C 13 62.528 . . 1 . . . A 30 THR CA . 18817 1 153 . 1 1 30 30 THR CB C 13 69.103 . . 1 . . . A 30 THR CB . 18817 1 154 . 1 1 30 30 THR N N 15 113.464 . . 1 . . . A 30 THR N . 18817 1 155 . 1 1 31 31 THR H H 1 7.955 . . 1 . . . A 31 THR H . 18817 1 156 . 1 1 31 31 THR C C 13 175.450 . . 1 . . . A 31 THR C . 18817 1 157 . 1 1 31 31 THR CA C 13 63.705 . . 1 . . . A 31 THR CA . 18817 1 158 . 1 1 31 31 THR CB C 13 69.132 . . 1 . . . A 31 THR CB . 18817 1 159 . 1 1 31 31 THR N N 15 116.868 . . 1 . . . A 31 THR N . 18817 1 160 . 1 1 32 32 ALA H H 1 8.226 . . 1 . . . A 32 ALA H . 18817 1 161 . 1 1 32 32 ALA C C 13 179.686 . . 1 . . . A 32 ALA C . 18817 1 162 . 1 1 32 32 ALA CA C 13 53.748 . . 1 . . . A 32 ALA CA . 18817 1 163 . 1 1 32 32 ALA CB C 13 17.669 . . 1 . . . A 32 ALA CB . 18817 1 164 . 1 1 32 32 ALA N N 15 124.803 . . 1 . . . A 32 ALA N . 18817 1 165 . 1 1 33 33 GLU H H 1 8.153 . . 1 . . . A 33 GLU H . 18817 1 166 . 1 1 33 33 GLU C C 13 177.525 . . 1 . . . A 33 GLU C . 18817 1 167 . 1 1 33 33 GLU CA C 13 58.026 . . 1 . . . A 33 GLU CA . 18817 1 168 . 1 1 33 33 GLU CB C 13 27.793 . . 1 . . . A 33 GLU CB . 18817 1 169 . 1 1 33 33 GLU N N 15 118.847 . . 1 . . . A 33 GLU N . 18817 1 170 . 1 1 34 34 GLN H H 1 8.109 . . 1 . . . A 34 GLN H . 18817 1 171 . 1 1 34 34 GLN C C 13 177.628 . . 1 . . . A 34 GLN C . 18817 1 172 . 1 1 34 34 GLN CA C 13 57.976 . . 1 . . . A 34 GLN CA . 18817 1 173 . 1 1 34 34 GLN CB C 13 27.786 . . 1 . . . A 34 GLN CB . 18817 1 174 . 1 1 34 34 GLN N N 15 119.840 . . 1 . . . A 34 GLN N . 18817 1 175 . 1 1 35 35 GLU H H 1 8.170 . . 1 . . . A 35 GLU H . 18817 1 176 . 1 1 35 35 GLU C C 13 178.149 . . 1 . . . A 35 GLU C . 18817 1 177 . 1 1 35 35 GLU CA C 13 58.160 . . 1 . . . A 35 GLU CA . 18817 1 178 . 1 1 35 35 GLU CB C 13 28.337 . . 1 . . . A 35 GLU CB . 18817 1 179 . 1 1 35 35 GLU N N 15 119.894 . . 1 . . . A 35 GLU N . 18817 1 180 . 1 1 36 36 ALA H H 1 7.884 . . 1 . . . A 36 ALA H . 18817 1 181 . 1 1 36 36 ALA C C 13 179.303 . . 1 . . . A 36 ALA C . 18817 1 182 . 1 1 36 36 ALA CA C 13 53.615 . . 1 . . . A 36 ALA CA . 18817 1 183 . 1 1 36 36 ALA CB C 13 17.788 . . 1 . . . A 36 ALA CB . 18817 1 184 . 1 1 36 36 ALA N N 15 123.045 . . 1 . . . A 36 ALA N . 18817 1 185 . 1 1 37 37 LEU H H 1 7.907 . . 1 . . . A 37 LEU H . 18817 1 186 . 1 1 37 37 LEU C C 13 178.226 . . 1 . . . A 37 LEU C . 18817 1 187 . 1 1 37 37 LEU CA C 13 56.671 . . 1 . . . A 37 LEU CA . 18817 1 188 . 1 1 37 37 LEU CB C 13 40.965 . . 1 . . . A 37 LEU CB . 18817 1 189 . 1 1 37 37 LEU N N 15 119.469 . . 1 . . . A 37 LEU N . 18817 1 190 . 1 1 38 38 GLN H H 1 8.097 . . 1 . . . A 38 GLN H . 18817 1 191 . 1 1 38 38 GLN C C 13 176.775 . . 1 . . . A 38 GLN C . 18817 1 192 . 1 1 38 38 GLN CA C 13 57.420 . . 1 . . . A 38 GLN CA . 18817 1 193 . 1 1 38 38 GLN CB C 13 28.042 . . 1 . . . A 38 GLN CB . 18817 1 194 . 1 1 38 38 GLN N N 15 118.655 . . 1 . . . A 38 GLN N . 18817 1 195 . 1 1 39 39 ALA H H 1 7.724 . . 1 . . . A 39 ALA H . 18817 1 196 . 1 1 39 39 ALA C C 13 178.516 . . 1 . . . A 39 ALA C . 18817 1 197 . 1 1 39 39 ALA CA C 13 53.221 . . 1 . . . A 39 ALA CA . 18817 1 198 . 1 1 39 39 ALA CB C 13 18.032 . . 1 . . . A 39 ALA CB . 18817 1 199 . 1 1 39 39 ALA N N 15 121.284 . . 1 . . . A 39 ALA N . 18817 1 200 . 1 1 40 40 LYS H H 1 7.702 . . 1 . . . A 40 LYS H . 18817 1 201 . 1 1 40 40 LYS C C 13 176.835 . . 1 . . . A 40 LYS C . 18817 1 202 . 1 1 40 40 LYS CA C 13 56.436 . . 1 . . . A 40 LYS CA . 18817 1 203 . 1 1 40 40 LYS CB C 13 32.005 . . 1 . . . A 40 LYS CB . 18817 1 204 . 1 1 40 40 LYS N N 15 118.343 . . 1 . . . A 40 LYS N . 18817 1 205 . 1 1 41 41 VAL H H 1 7.723 . . 1 . . . A 41 VAL H . 18817 1 206 . 1 1 41 41 VAL C C 13 175.383 . . 1 . . . A 41 VAL C . 18817 1 207 . 1 1 41 41 VAL CA C 13 62.305 . . 1 . . . A 41 VAL CA . 18817 1 208 . 1 1 41 41 VAL CB C 13 31.695 . . 1 . . . A 41 VAL CB . 18817 1 209 . 1 1 41 41 VAL N N 15 118.825 . . 1 . . . A 41 VAL N . 18817 1 210 . 1 1 42 42 ASP H H 1 8.229 . . 1 . . . A 42 ASP H . 18817 1 211 . 1 1 42 42 ASP HA H 1 4.323 . . 1 . . . A 42 ASP HA . 18817 1 212 . 1 1 42 42 ASP HB2 H 1 2.094 . . 2 . . . A 42 ASP HB2 . 18817 1 213 . 1 1 42 42 ASP HB3 H 1 1.979 . . 2 . . . A 42 ASP HB3 . 18817 1 214 . 1 1 42 42 ASP C C 13 176.128 . . 1 . . . A 42 ASP C . 18817 1 215 . 1 1 42 42 ASP CA C 13 53.641 . . 1 . . . A 42 ASP CA . 18817 1 216 . 1 1 42 42 ASP CB C 13 40.281 . . 1 . . . A 42 ASP CB . 18817 1 217 . 1 1 42 42 ASP N N 15 122.980 . . 1 . . . A 42 ASP N . 18817 1 218 . 1 1 43 43 ALA H H 1 8.095 . . 1 . . . A 43 ALA H . 18817 1 219 . 1 1 43 43 ALA C C 13 178.308 . . 1 . . . A 43 ALA C . 18817 1 220 . 1 1 43 43 ALA CA C 13 53.366 . . 1 . . . A 43 ALA CA . 18817 1 221 . 1 1 43 43 ALA CB C 13 18.215 . . 1 . . . A 43 ALA CB . 18817 1 222 . 1 1 43 43 ALA N N 15 123.146 . . 1 . . . A 43 ALA N . 18817 1 223 . 1 1 44 44 GLU H H 1 8.173 . . 1 . . . A 44 GLU H . 18817 1 224 . 1 1 44 44 GLU C C 13 176.974 . . 1 . . . A 44 GLU C . 18817 1 225 . 1 1 44 44 GLU CA C 13 57.011 . . 1 . . . A 44 GLU CA . 18817 1 226 . 1 1 44 44 GLU CB C 13 28.434 . . 1 . . . A 44 GLU CB . 18817 1 227 . 1 1 44 44 GLU N N 15 117.625 . . 1 . . . A 44 GLU N . 18817 1 228 . 1 1 45 45 ASN H H 1 8.059 . . 1 . . . A 45 ASN H . 18817 1 229 . 1 1 45 45 ASN C C 13 176.652 . . 1 . . . A 45 ASN C . 18817 1 230 . 1 1 45 45 ASN CA C 13 53.544 . . 1 . . . A 45 ASN CA . 18817 1 231 . 1 1 45 45 ASN CB C 13 38.334 . . 1 . . . A 45 ASN CB . 18817 1 232 . 1 1 45 45 ASN N N 15 117.214 . . 1 . . . A 45 ASN N . 18817 1 233 . 1 1 46 46 PHE H H 1 8.163 . . 1 . . . A 46 PHE H . 18817 1 234 . 1 1 46 46 PHE C C 13 176.975 . . 1 . . . A 46 PHE C . 18817 1 235 . 1 1 46 46 PHE CA C 13 60.113 . . 1 . . . A 46 PHE CA . 18817 1 236 . 1 1 46 46 PHE CB C 13 38.290 . . 1 . . . A 46 PHE CB . 18817 1 237 . 1 1 46 46 PHE N N 15 120.987 . . 1 . . . A 46 PHE N . 18817 1 238 . 1 1 47 47 TYR H H 1 7.417 . . 1 . . . A 47 TYR H . 18817 1 239 . 1 1 47 47 TYR C C 13 176.063 . . 1 . . . A 47 TYR C . 18817 1 240 . 1 1 47 47 TYR CA C 13 60.569 . . 1 . . . A 47 TYR CA . 18817 1 241 . 1 1 47 47 TYR CB C 13 36.886 . . 1 . . . A 47 TYR CB . 18817 1 242 . 1 1 47 47 TYR N N 15 116.519 . . 1 . . . A 47 TYR N . 18817 1 243 . 1 1 48 48 TYR H H 1 7.417 . . 1 . . . A 48 TYR H . 18817 1 244 . 1 1 48 48 TYR C C 13 177.063 . . 1 . . . A 48 TYR C . 18817 1 245 . 1 1 48 48 TYR CA C 13 60.569 . . 1 . . . A 48 TYR CA . 18817 1 246 . 1 1 48 48 TYR CB C 13 36.886 . . 1 . . . A 48 TYR CB . 18817 1 247 . 1 1 48 48 TYR N N 15 116.519 . . 1 . . . A 48 TYR N . 18817 1 248 . 1 1 49 49 VAL H H 1 7.439 . . 1 . . . A 49 VAL H . 18817 1 249 . 1 1 49 49 VAL C C 13 177.154 . . 1 . . . A 49 VAL C . 18817 1 250 . 1 1 49 49 VAL CA C 13 66.194 . . 1 . . . A 49 VAL CA . 18817 1 251 . 1 1 49 49 VAL CB C 13 30.389 . . 1 . . . A 49 VAL CB . 18817 1 252 . 1 1 49 49 VAL N N 15 118.292 . . 1 . . . A 49 VAL N . 18817 1 253 . 1 1 50 50 ILE H H 1 7.491 . . 1 . . . A 50 ILE H . 18817 1 254 . 1 1 50 50 ILE C C 13 177.307 . . 1 . . . A 50 ILE C . 18817 1 255 . 1 1 50 50 ILE CA C 13 63.876 . . 1 . . . A 50 ILE CA . 18817 1 256 . 1 1 50 50 ILE CB C 13 35.725 . . 1 . . . A 50 ILE CB . 18817 1 257 . 1 1 50 50 ILE N N 15 117.581 . . 1 . . . A 50 ILE N . 18817 1 258 . 1 1 51 51 LEU H H 1 7.699 . . 1 . . . A 51 LEU H . 18817 1 259 . 1 1 51 51 LEU C C 13 178.335 . . 1 . . . A 51 LEU C . 18817 1 260 . 1 1 51 51 LEU CA C 13 58.042 . . 1 . . . A 51 LEU CA . 18817 1 261 . 1 1 51 51 LEU CB C 13 40.550 . . 1 . . . A 51 LEU CB . 18817 1 262 . 1 1 51 51 LEU N N 15 120.363 . . 1 . . . A 51 LEU N . 18817 1 263 . 1 1 53 53 LEU C C 13 178.638 . . 1 . . . A 53 LEU C . 18817 1 264 . 1 1 53 53 LEU CA C 13 57.795 . . 1 . . . A 53 LEU CA . 18817 1 265 . 1 1 53 53 LEU CB C 13 40.796 . . 1 . . . A 53 LEU CB . 18817 1 266 . 1 1 54 54 MET H H 1 8.396 . . 1 . . . A 54 MET H . 18817 1 267 . 1 1 54 54 MET C C 13 178.471 . . 1 . . . A 54 MET C . 18817 1 268 . 1 1 54 54 MET CA C 13 58.432 . . 1 . . . A 54 MET CA . 18817 1 269 . 1 1 54 54 MET CB C 13 31.395 . . 1 . . . A 54 MET CB . 18817 1 270 . 1 1 54 54 MET N N 15 117.957 . . 1 . . . A 54 MET N . 18817 1 271 . 1 1 56 56 MET C C 13 177.895 . . 1 . . . A 56 MET C . 18817 1 272 . 1 1 56 56 MET CA C 13 58.793 . . 1 . . . A 56 MET CA . 18817 1 273 . 1 1 57 57 ILE H H 1 8.556 . . 1 . . . A 57 ILE H . 18817 1 274 . 1 1 57 57 ILE C C 13 179.504 . . 1 . . . A 57 ILE C . 18817 1 275 . 1 1 57 57 ILE CA C 13 64.890 . . 1 . . . A 57 ILE CA . 18817 1 276 . 1 1 57 57 ILE CB C 13 36.497 . . 1 . . . A 57 ILE CB . 18817 1 277 . 1 1 57 57 ILE N N 15 119.111 . . 1 . . . A 57 ILE N . 18817 1 278 . 1 1 58 58 GLY H H 1 8.745 . . 1 . . . A 58 GLY H . 18817 1 279 . 1 1 58 58 GLY C C 13 174.211 . . 1 . . . A 58 GLY C . 18817 1 280 . 1 1 58 58 GLY CA C 13 47.038 . . 1 . . . A 58 GLY CA . 18817 1 281 . 1 1 58 58 GLY N N 15 111.097 . . 1 . . . A 58 GLY N . 18817 1 282 . 1 1 59 59 MET H H 1 8.612 . . 1 . . . A 59 MET H . 18817 1 283 . 1 1 59 59 MET C C 13 178.075 . . 1 . . . A 59 MET C . 18817 1 284 . 1 1 59 59 MET CA C 13 58.763 . . 1 . . . A 59 MET CA . 18817 1 285 . 1 1 59 59 MET CB C 13 32.415 . . 1 . . . A 59 MET CB . 18817 1 286 . 1 1 59 59 MET N N 15 120.903 . . 1 . . . A 59 MET N . 18817 1 287 . 1 1 60 60 PHE H H 1 8.495 . . 1 . . . A 60 PHE H . 18817 1 288 . 1 1 60 60 PHE C C 13 177.292 . . 1 . . . A 60 PHE C . 18817 1 289 . 1 1 60 60 PHE CA C 13 60.486 . . 1 . . . A 60 PHE CA . 18817 1 290 . 1 1 60 60 PHE CB C 13 38.213 . . 1 . . . A 60 PHE CB . 18817 1 291 . 1 1 60 60 PHE N N 15 117.888 . . 1 . . . A 60 PHE N . 18817 1 292 . 1 1 61 61 SER H H 1 8.338 . . 1 . . . A 61 SER H . 18817 1 293 . 1 1 61 61 SER C C 13 175.141 . . 1 . . . A 61 SER C . 18817 1 294 . 1 1 61 61 SER CA C 13 63.198 . . 1 . . . A 61 SER CA . 18817 1 295 . 1 1 61 61 SER CB C 13 62.050 . . 1 . . . A 61 SER CB . 18817 1 296 . 1 1 61 61 SER N N 15 115.530 . . 1 . . . A 61 SER N . 18817 1 297 . 1 1 62 62 PHE H H 1 8.077 . . 1 . . . A 62 PHE H . 18817 1 298 . 1 1 62 62 PHE C C 13 176.761 . . 1 . . . A 62 PHE C . 18817 1 299 . 1 1 62 62 PHE CA C 13 60.791 . . 1 . . . A 62 PHE CA . 18817 1 300 . 1 1 62 62 PHE CB C 13 38.124 . . 1 . . . A 62 PHE CB . 18817 1 301 . 1 1 62 62 PHE N N 15 121.237 . . 1 . . . A 62 PHE N . 18817 1 302 . 1 1 64 64 ILE H H 1 7.956 . . 1 . . . A 64 ILE H . 18817 1 303 . 1 1 64 64 ILE C C 13 177.805 . . 1 . . . A 64 ILE C . 18817 1 304 . 1 1 64 64 ILE CA C 13 64.465 . . 1 . . . A 64 ILE CA . 18817 1 305 . 1 1 64 64 ILE CB C 13 35.984 . . 1 . . . A 64 ILE CB . 18817 1 306 . 1 1 64 64 ILE N N 15 118.608 . . 1 . . . A 64 ILE N . 18817 1 307 . 1 1 65 65 VAL H H 1 8.137 . . 1 . . . A 65 VAL H . 18817 1 308 . 1 1 65 65 VAL C C 13 177.045 . . 1 . . . A 65 VAL C . 18817 1 309 . 1 1 65 65 VAL CA C 13 66.773 . . 1 . . . A 65 VAL CA . 18817 1 310 . 1 1 65 65 VAL CB C 13 30.099 . . 1 . . . A 65 VAL CB . 18817 1 311 . 1 1 65 65 VAL N N 15 119.395 . . 1 . . . A 65 VAL N . 18817 1 312 . 1 1 67 67 ILE C C 13 179.153 . . 1 . . . A 67 ILE C . 18817 1 313 . 1 1 67 67 ILE CA C 13 64.933 . . 1 . . . A 67 ILE CA . 18817 1 314 . 1 1 67 67 ILE CB C 13 36.977 . . 1 . . . A 67 ILE CB . 18817 1 315 . 1 1 68 68 LEU H H 1 8.540 . . 1 . . . A 68 LEU H . 18817 1 316 . 1 1 68 68 LEU HA H 1 4.301 . . 1 . . . A 68 LEU HA . 18817 1 317 . 1 1 68 68 LEU HB2 H 1 1.370 . . 2 . . . A 68 LEU HB2 . 18817 1 318 . 1 1 68 68 LEU CA C 13 58.529 . . 1 . . . A 68 LEU CA . 18817 1 319 . 1 1 68 68 LEU CB C 13 40.768 . . 1 . . . A 68 LEU CB . 18817 1 320 . 1 1 68 68 LEU N N 15 123.998 . . 1 . . . A 68 LEU N . 18817 1 321 . 1 1 69 69 VAL H H 1 8.173 . . 1 . . . A 69 VAL H . 18817 1 322 . 1 1 69 69 VAL C C 13 177.859 . . 1 . . . A 69 VAL C . 18817 1 323 . 1 1 69 69 VAL CA C 13 65.949 . . 1 . . . A 69 VAL CA . 18817 1 324 . 1 1 69 69 VAL CB C 13 30.847 . . 1 . . . A 69 VAL CB . 18817 1 325 . 1 1 69 69 VAL N N 15 120.584 . . 1 . . . A 69 VAL N . 18817 1 326 . 1 1 70 70 SER H H 1 7.898 . . 1 . . . A 70 SER H . 18817 1 327 . 1 1 70 70 SER CA C 13 61.630 . . 1 . . . A 70 SER CA . 18817 1 328 . 1 1 70 70 SER CB C 13 62.527 . . 1 . . . A 70 SER CB . 18817 1 329 . 1 1 70 70 SER N N 15 114.121 . . 1 . . . A 70 SER N . 18817 1 330 . 1 1 71 71 THR HA H 1 4.300 . . 1 . . . A 71 THR HA . 18817 1 331 . 1 1 71 71 THR C C 13 176.381 . . 1 . . . A 71 THR C . 18817 1 332 . 1 1 71 71 THR CA C 13 65.981 . . 1 . . . A 71 THR CA . 18817 1 333 . 1 1 71 71 THR CB C 13 68.416 . . 1 . . . A 71 THR CB . 18817 1 334 . 1 1 72 72 VAL H H 1 8.092 . . 1 . . . A 72 VAL H . 18817 1 335 . 1 1 72 72 VAL C C 13 177.791 . . 1 . . . A 72 VAL C . 18817 1 336 . 1 1 72 72 VAL CA C 13 65.532 . . 1 . . . A 72 VAL CA . 18817 1 337 . 1 1 72 72 VAL CB C 13 30.882 . . 1 . . . A 72 VAL CB . 18817 1 338 . 1 1 72 72 VAL N N 15 121.958 . . 1 . . . A 72 VAL N . 18817 1 339 . 1 1 73 73 LYS C C 13 178.310 . . 1 . . . A 73 LYS C . 18817 1 340 . 1 1 73 73 LYS CA C 13 58.279 . . 1 . . . A 73 LYS CA . 18817 1 341 . 1 1 73 73 LYS CB C 13 31.350 . . 1 . . . A 73 LYS CB . 18817 1 342 . 1 1 74 74 SER H H 1 7.816 . . 1 . . . A 74 SER H . 18817 1 343 . 1 1 74 74 SER C C 13 175.895 . . 1 . . . A 74 SER C . 18817 1 344 . 1 1 74 74 SER CA C 13 59.979 . . 1 . . . A 74 SER CA . 18817 1 345 . 1 1 74 74 SER CB C 13 62.823 . . 1 . . . A 74 SER CB . 18817 1 346 . 1 1 74 74 SER N N 15 114.589 . . 1 . . . A 74 SER N . 18817 1 347 . 1 1 75 75 LYS H H 1 7.964 . . 1 . . . A 75 LYS H . 18817 1 348 . 1 1 75 75 LYS C C 13 177.649 . . 1 . . . A 75 LYS C . 18817 1 349 . 1 1 75 75 LYS CA C 13 56.892 . . 1 . . . A 75 LYS CA . 18817 1 350 . 1 1 75 75 LYS CB C 13 31.263 . . 1 . . . A 75 LYS CB . 18817 1 351 . 1 1 75 75 LYS N N 15 121.984 . . 1 . . . A 75 LYS N . 18817 1 352 . 1 1 76 76 ARG H H 1 7.909 . . 1 . . . A 76 ARG H . 18817 1 353 . 1 1 76 76 ARG C C 13 177.010 . . 1 . . . A 76 ARG C . 18817 1 354 . 1 1 76 76 ARG CA C 13 56.671 . . 1 . . . A 76 ARG CA . 18817 1 355 . 1 1 76 76 ARG CB C 13 29.471 . . 1 . . . A 76 ARG CB . 18817 1 356 . 1 1 76 76 ARG N N 15 119.656 . . 1 . . . A 76 ARG N . 18817 1 357 . 1 1 77 77 ARG H H 1 7.860 . . 1 . . . A 77 ARG H . 18817 1 358 . 1 1 77 77 ARG C C 13 176.633 . . 1 . . . A 77 ARG C . 18817 1 359 . 1 1 77 77 ARG CA C 13 56.355 . . 1 . . . A 77 ARG CA . 18817 1 360 . 1 1 77 77 ARG CB C 13 29.718 . . 1 . . . A 77 ARG CB . 18817 1 361 . 1 1 77 77 ARG N N 15 120.815 . . 1 . . . A 77 ARG N . 18817 1 362 . 1 1 78 78 GLU H H 1 8.119 . . 1 . . . A 78 GLU H . 18817 1 363 . 1 1 78 78 GLU C C 13 176.320 . . 1 . . . A 78 GLU C . 18817 1 364 . 1 1 78 78 GLU CA C 13 56.368 . . 1 . . . A 78 GLU CA . 18817 1 365 . 1 1 78 78 GLU CB C 13 29.083 . . 1 . . . A 78 GLU CB . 18817 1 366 . 1 1 78 78 GLU N N 15 120.635 . . 1 . . . A 78 GLU N . 18817 1 367 . 1 1 79 79 HIS H H 1 8.042 . . 1 . . . A 79 HIS H . 18817 1 368 . 1 1 79 79 HIS C C 13 174.583 . . 1 . . . A 79 HIS C . 18817 1 369 . 1 1 79 79 HIS CA C 13 54.918 . . 1 . . . A 79 HIS CA . 18817 1 370 . 1 1 79 79 HIS CB C 13 28.249 . . 1 . . . A 79 HIS CB . 18817 1 371 . 1 1 79 79 HIS N N 15 117.659 . . 1 . . . A 79 HIS N . 18817 1 372 . 1 1 80 80 SER H H 1 8.151 . . 1 . . . A 80 SER H . 18817 1 373 . 1 1 80 80 SER C C 13 174.323 . . 1 . . . A 80 SER C . 18817 1 374 . 1 1 80 80 SER CA C 13 58.377 . . 1 . . . A 80 SER CA . 18817 1 375 . 1 1 80 80 SER CB C 13 63.113 . . 1 . . . A 80 SER CB . 18817 1 376 . 1 1 80 80 SER N N 15 116.920 . . 1 . . . A 80 SER N . 18817 1 377 . 1 1 81 81 ASN H H 1 8.411 . . 1 . . . A 81 ASN H . 18817 1 378 . 1 1 81 81 ASN C C 13 174.436 . . 1 . . . A 81 ASN C . 18817 1 379 . 1 1 81 81 ASN CA C 13 52.945 . . 1 . . . A 81 ASN CA . 18817 1 380 . 1 1 81 81 ASN CB C 13 38.324 . . 1 . . . A 81 ASN CB . 18817 1 381 . 1 1 81 81 ASN N N 15 120.963 . . 1 . . . A 81 ASN N . 18817 1 382 . 1 1 83 83 PRO C C 13 176.072 . . 1 . . . A 83 PRO C . 18817 1 383 . 1 1 83 83 PRO CA C 13 62.420 . . 1 . . . A 83 PRO CA . 18817 1 384 . 1 1 83 83 PRO CB C 13 33.212 . . 1 . . . A 83 PRO CB . 18817 1 385 . 1 1 84 84 TYR H H 1 8.487 . . 1 . . . A 84 TYR H . 18817 1 386 . 1 1 84 84 TYR C C 13 176.670 . . 1 . . . A 84 TYR C . 18817 1 387 . 1 1 84 84 TYR CA C 13 55.352 . . 1 . . . A 84 TYR CA . 18817 1 388 . 1 1 84 84 TYR CB C 13 40.958 . . 1 . . . A 84 TYR CB . 18817 1 389 . 1 1 84 84 TYR N N 15 124.146 . . 1 . . . A 84 TYR N . 18817 1 390 . 1 1 86 86 GLN C C 13 177.884 . . 1 . . . A 86 GLN C . 18817 1 391 . 1 1 86 86 GLN CA C 13 59.593 . . 1 . . . A 86 GLN CA . 18817 1 392 . 1 1 86 86 GLN CB C 13 27.335 . . 1 . . . A 86 GLN CB . 18817 1 393 . 1 1 87 87 TYR H H 1 7.981 . . 1 . . . A 87 TYR H . 18817 1 394 . 1 1 87 87 TYR C C 13 178.922 . . 1 . . . A 87 TYR C . 18817 1 395 . 1 1 87 87 TYR CA C 13 57.225 . . 1 . . . A 87 TYR CA . 18817 1 396 . 1 1 87 87 TYR CB C 13 40.155 . . 1 . . . A 87 TYR CB . 18817 1 397 . 1 1 87 87 TYR N N 15 119.339 . . 1 . . . A 87 TYR N . 18817 1 398 . 1 1 88 88 ILE C C 13 175.951 . . 1 . . . A 88 ILE C . 18817 1 399 . 1 1 89 89 VAL H H 1 7.397 . . 1 . . . A 89 VAL H . 18817 1 400 . 1 1 89 89 VAL C C 13 177.806 . . 1 . . . A 89 VAL C . 18817 1 401 . 1 1 89 89 VAL CA C 13 63.289 . . 1 . . . A 89 VAL CA . 18817 1 402 . 1 1 89 89 VAL CB C 13 31.247 . . 1 . . . A 89 VAL CB . 18817 1 403 . 1 1 89 89 VAL N N 15 119.921 . . 1 . . . A 89 VAL N . 18817 1 404 . 1 1 90 90 GLU H H 1 8.111 . . 1 . . . A 90 GLU H . 18817 1 405 . 1 1 90 90 GLU C C 13 178.316 . . 1 . . . A 90 GLU C . 18817 1 406 . 1 1 90 90 GLU CA C 13 58.285 . . 1 . . . A 90 GLU CA . 18817 1 407 . 1 1 90 90 GLU CB C 13 31.270 . . 1 . . . A 90 GLU CB . 18817 1 408 . 1 1 90 90 GLU N N 15 119.266 . . 1 . . . A 90 GLU N . 18817 1 409 . 1 1 91 91 ASP C C 13 177.542 . . 1 . . . A 91 ASP C . 18817 1 410 . 1 1 91 91 ASP CA C 13 56.637 . . 1 . . . A 91 ASP CA . 18817 1 411 . 1 1 91 91 ASP CB C 13 38.852 . . 1 . . . A 91 ASP CB . 18817 1 412 . 1 1 92 92 TRP H H 1 7.852 . . 1 . . . A 92 TRP H . 18817 1 413 . 1 1 92 92 TRP C C 13 177.384 . . 1 . . . A 92 TRP C . 18817 1 414 . 1 1 92 92 TRP CA C 13 59.510 . . 1 . . . A 92 TRP CA . 18817 1 415 . 1 1 92 92 TRP CB C 13 27.817 . . 1 . . . A 92 TRP CB . 18817 1 416 . 1 1 92 92 TRP N N 15 120.874 . . 1 . . . A 92 TRP N . 18817 1 417 . 1 1 93 93 GLN H H 1 8.010 . . 1 . . . A 93 GLN H . 18817 1 418 . 1 1 93 93 GLN C C 13 177.653 . . 1 . . . A 93 GLN C . 18817 1 419 . 1 1 93 93 GLN CA C 13 58.991 . . 1 . . . A 93 GLN CA . 18817 1 420 . 1 1 93 93 GLN CB C 13 27.205 . . 1 . . . A 93 GLN CB . 18817 1 421 . 1 1 93 93 GLN N N 15 119.478 . . 1 . . . A 93 GLN N . 18817 1 422 . 1 1 94 94 GLU H H 1 7.589 . . 1 . . . A 94 GLU H . 18817 1 423 . 1 1 94 94 GLU C C 13 178.798 . . 1 . . . A 94 GLU C . 18817 1 424 . 1 1 94 94 GLU CA C 13 57.794 . . 1 . . . A 94 GLU CA . 18817 1 425 . 1 1 94 94 GLU CB C 13 28.816 . . 1 . . . A 94 GLU CB . 18817 1 426 . 1 1 94 94 GLU N N 15 117.531 . . 1 . . . A 94 GLU N . 18817 1 427 . 1 1 95 95 LYS H H 1 7.832 . . 1 . . . A 95 LYS H . 18817 1 428 . 1 1 95 95 LYS C C 13 178.416 . . 1 . . . A 95 LYS C . 18817 1 429 . 1 1 95 95 LYS CA C 13 58.576 . . 1 . . . A 95 LYS CA . 18817 1 430 . 1 1 95 95 LYS CB C 13 32.120 . . 1 . . . A 95 LYS CB . 18817 1 431 . 1 1 95 95 LYS N N 15 119.905 . . 1 . . . A 95 LYS N . 18817 1 432 . 1 1 96 96 TYR H H 1 7.916 . . 1 . . . A 96 TYR H . 18817 1 433 . 1 1 96 96 TYR C C 13 176.535 . . 1 . . . A 96 TYR C . 18817 1 434 . 1 1 96 96 TYR CA C 13 58.804 . . 1 . . . A 96 TYR CA . 18817 1 435 . 1 1 96 96 TYR CB C 13 37.106 . . 1 . . . A 96 TYR CB . 18817 1 436 . 1 1 96 96 TYR N N 15 117.063 . . 1 . . . A 96 TYR N . 18817 1 437 . 1 1 97 97 LYS H H 1 7.610 . . 1 . . . A 97 LYS H . 18817 1 438 . 1 1 97 97 LYS C C 13 178.281 . . 1 . . . A 97 LYS C . 18817 1 439 . 1 1 97 97 LYS CA C 13 59.605 . . 1 . . . A 97 LYS CA . 18817 1 440 . 1 1 97 97 LYS CB C 13 31.265 . . 1 . . . A 97 LYS CB . 18817 1 441 . 1 1 97 97 LYS N N 15 120.781 . . 1 . . . A 97 LYS N . 18817 1 442 . 1 1 98 98 SER H H 1 8.180 . . 1 . . . A 98 SER H . 18817 1 443 . 1 1 98 98 SER C C 13 176.355 . . 1 . . . A 98 SER C . 18817 1 444 . 1 1 98 98 SER CA C 13 60.840 . . 1 . . . A 98 SER CA . 18817 1 445 . 1 1 98 98 SER CB C 13 61.944 . . 1 . . . A 98 SER CB . 18817 1 446 . 1 1 98 98 SER N N 15 113.319 . . 1 . . . A 98 SER N . 18817 1 447 . 1 1 99 99 GLN H H 1 7.822 . . 1 . . . A 99 GLN H . 18817 1 448 . 1 1 99 99 GLN C C 13 178.134 . . 1 . . . A 99 GLN C . 18817 1 449 . 1 1 99 99 GLN CA C 13 58.234 . . 1 . . . A 99 GLN CA . 18817 1 450 . 1 1 99 99 GLN CB C 13 27.521 . . 1 . . . A 99 GLN CB . 18817 1 451 . 1 1 99 99 GLN N N 15 121.218 . . 1 . . . A 99 GLN N . 18817 1 452 . 1 1 100 100 ILE H H 1 7.992 . . 1 . . . A 100 ILE H . 18817 1 453 . 1 1 100 100 ILE C C 13 177.443 . . 1 . . . A 100 ILE C . 18817 1 454 . 1 1 100 100 ILE CA C 13 63.808 . . 1 . . . A 100 ILE CA . 18817 1 455 . 1 1 100 100 ILE CB C 13 36.622 . . 1 . . . A 100 ILE CB . 18817 1 456 . 1 1 100 100 ILE N N 15 119.936 . . 1 . . . A 100 ILE N . 18817 1 457 . 1 1 101 101 LEU H H 1 7.861 . . 1 . . . A 101 LEU H . 18817 1 458 . 1 1 101 101 LEU C C 13 178.913 . . 1 . . . A 101 LEU C . 18817 1 459 . 1 1 101 101 LEU CA C 13 56.911 . . 1 . . . A 101 LEU CA . 18817 1 460 . 1 1 101 101 LEU CB C 13 40.296 . . 1 . . . A 101 LEU CB . 18817 1 461 . 1 1 101 101 LEU N N 15 120.350 . . 1 . . . A 101 LEU N . 18817 1 462 . 1 1 102 102 ASN H H 1 7.767 . . 1 . . . A 102 ASN H . 18817 1 463 . 1 1 102 102 ASN C C 13 177.647 . . 1 . . . A 102 ASN C . 18817 1 464 . 1 1 102 102 ASN CA C 13 54.937 . . 1 . . . A 102 ASN CA . 18817 1 465 . 1 1 102 102 ASN CB C 13 37.917 . . 1 . . . A 102 ASN CB . 18817 1 466 . 1 1 102 102 ASN N N 15 117.859 . . 1 . . . A 102 ASN N . 18817 1 467 . 1 1 103 103 LEU H H 1 8.021 . . 1 . . . A 103 LEU H . 18817 1 468 . 1 1 103 103 LEU C C 13 178.656 . . 1 . . . A 103 LEU C . 18817 1 469 . 1 1 103 103 LEU CA C 13 57.339 . . 1 . . . A 103 LEU CA . 18817 1 470 . 1 1 103 103 LEU CB C 13 40.726 . . 1 . . . A 103 LEU CB . 18817 1 471 . 1 1 103 103 LEU N N 15 122.625 . . 1 . . . A 103 LEU N . 18817 1 472 . 1 1 104 104 GLU H H 1 8.267 . . 1 . . . A 104 GLU H . 18817 1 473 . 1 1 104 104 GLU C C 13 178.825 . . 1 . . . A 104 GLU C . 18817 1 474 . 1 1 104 104 GLU CA C 13 58.665 . . 1 . . . A 104 GLU CA . 18817 1 475 . 1 1 104 104 GLU CB C 13 27.791 . . 1 . . . A 104 GLU CB . 18817 1 476 . 1 1 104 104 GLU N N 15 118.900 . . 1 . . . A 104 GLU N . 18817 1 477 . 1 1 105 105 GLU H H 1 8.079 . . 1 . . . A 105 GLU H . 18817 1 478 . 1 1 105 105 GLU C C 13 178.532 . . 1 . . . A 105 GLU C . 18817 1 479 . 1 1 105 105 GLU CA C 13 57.823 . . 1 . . . A 105 GLU CA . 18817 1 480 . 1 1 105 105 GLU CB C 13 28.159 . . 1 . . . A 105 GLU CB . 18817 1 481 . 1 1 105 105 GLU N N 15 119.025 . . 1 . . . A 105 GLU N . 18817 1 482 . 1 1 106 106 SER H H 1 7.942 . . 1 . . . A 106 SER H . 18817 1 483 . 1 1 106 106 SER C C 13 175.406 . . 1 . . . A 106 SER C . 18817 1 484 . 1 1 106 106 SER CA C 13 60.134 . . 1 . . . A 106 SER CA . 18817 1 485 . 1 1 106 106 SER CB C 13 62.748 . . 1 . . . A 106 SER CB . 18817 1 486 . 1 1 106 106 SER N N 15 116.209 . . 1 . . . A 106 SER N . 18817 1 487 . 1 1 107 107 LYS H H 1 7.917 . . 1 . . . A 107 LYS H . 18817 1 488 . 1 1 107 107 LYS C C 13 177.217 . . 1 . . . A 107 LYS C . 18817 1 489 . 1 1 107 107 LYS CA C 13 59.017 . . 1 . . . A 107 LYS CA . 18817 1 490 . 1 1 107 107 LYS CB C 13 31.428 . . 1 . . . A 107 LYS CB . 18817 1 491 . 1 1 107 107 LYS N N 15 121.873 . . 1 . . . A 107 LYS N . 18817 1 492 . 1 1 108 108 ALA H H 1 7.956 . . 1 . . . A 108 ALA H . 18817 1 493 . 1 1 108 108 ALA C C 13 179.577 . . 1 . . . A 108 ALA C . 18817 1 494 . 1 1 108 108 ALA CA C 13 54.338 . . 1 . . . A 108 ALA CA . 18817 1 495 . 1 1 108 108 ALA CB C 13 17.570 . . 1 . . . A 108 ALA CB . 18817 1 496 . 1 1 108 108 ALA N N 15 121.920 . . 1 . . . A 108 ALA N . 18817 1 497 . 1 1 109 109 THR H H 1 7.844 . . 1 . . . A 109 THR H . 18817 1 498 . 1 1 109 109 THR C C 13 176.373 . . 1 . . . A 109 THR C . 18817 1 499 . 1 1 109 109 THR CA C 13 64.381 . . 1 . . . A 109 THR CA . 18817 1 500 . 1 1 109 109 THR CB C 13 68.652 . . 1 . . . A 109 THR CB . 18817 1 501 . 1 1 109 109 THR N N 15 114.512 . . 1 . . . A 109 THR N . 18817 1 502 . 1 1 110 110 ILE H H 1 8.000 . . 1 . . . A 110 ILE H . 18817 1 503 . 1 1 110 110 ILE C C 13 177.059 . . 1 . . . A 110 ILE C . 18817 1 504 . 1 1 110 110 ILE CA C 13 64.071 . . 1 . . . A 110 ILE CA . 18817 1 505 . 1 1 110 110 ILE CB C 13 36.915 . . 1 . . . A 110 ILE CB . 18817 1 506 . 1 1 110 110 ILE N N 15 122.486 . . 1 . . . A 110 ILE N . 18817 1 507 . 1 1 111 111 HIS H H 1 8.324 . . 1 . . . A 111 HIS H . 18817 1 508 . 1 1 111 111 HIS C C 13 176.567 . . 1 . . . A 111 HIS C . 18817 1 509 . 1 1 111 111 HIS CA C 13 58.118 . . 1 . . . A 111 HIS CA . 18817 1 510 . 1 1 111 111 HIS CB C 13 28.153 . . 1 . . . A 111 HIS CB . 18817 1 511 . 1 1 111 111 HIS N N 15 118.524 . . 1 . . . A 111 HIS N . 18817 1 512 . 1 1 112 112 GLU H H 1 8.110 . . 1 . . . A 112 GLU H . 18817 1 513 . 1 1 112 112 GLU C C 13 177.683 . . 1 . . . A 112 GLU C . 18817 1 514 . 1 1 112 112 GLU CA C 13 57.625 . . 1 . . . A 112 GLU CA . 18817 1 515 . 1 1 112 112 GLU CB C 13 28.429 . . 1 . . . A 112 GLU CB . 18817 1 516 . 1 1 112 112 GLU N N 15 118.814 . . 1 . . . A 112 GLU N . 18817 1 517 . 1 1 113 113 ASN H H 1 7.982 . . 1 . . . A 113 ASN H . 18817 1 518 . 1 1 113 113 ASN C C 13 176.404 . . 1 . . . A 113 ASN C . 18817 1 519 . 1 1 113 113 ASN CA C 13 54.713 . . 1 . . . A 113 ASN CA . 18817 1 520 . 1 1 113 113 ASN CB C 13 38.811 . . 1 . . . A 113 ASN CB . 18817 1 521 . 1 1 113 113 ASN N N 15 117.915 . . 1 . . . A 113 ASN N . 18817 1 522 . 1 1 114 114 ILE H H 1 8.041 . . 1 . . . A 114 ILE H . 18817 1 523 . 1 1 114 114 ILE C C 13 177.039 . . 1 . . . A 114 ILE C . 18817 1 524 . 1 1 114 114 ILE CA C 13 63.324 . . 1 . . . A 114 ILE CA . 18817 1 525 . 1 1 114 114 ILE CB C 13 37.055 . . 1 . . . A 114 ILE CB . 18817 1 526 . 1 1 114 114 ILE N N 15 119.971 . . 1 . . . A 114 ILE N . 18817 1 527 . 1 1 115 115 GLY H H 1 7.977 . . 1 . . . A 115 GLY H . 18817 1 528 . 1 1 115 115 GLY C C 13 175.204 . . 1 . . . A 115 GLY C . 18817 1 529 . 1 1 115 115 GLY CA C 13 45.868 . . 1 . . . A 115 GLY CA . 18817 1 530 . 1 1 115 115 GLY N N 15 108.864 . . 1 . . . A 115 GLY N . 18817 1 531 . 1 1 116 116 ALA H H 1 7.818 . . 1 . . . A 116 ALA H . 18817 1 532 . 1 1 116 116 ALA HA H 1 4.254 . . 1 . . . A 116 ALA HA . 18817 1 533 . 1 1 116 116 ALA HB1 H 1 1.463 . . 1 . . . A 116 ALA HB1 . 18817 1 534 . 1 1 116 116 ALA HB2 H 1 1.463 . . 1 . . . A 116 ALA HB2 . 18817 1 535 . 1 1 116 116 ALA HB3 H 1 1.463 . . 1 . . . A 116 ALA HB3 . 18817 1 536 . 1 1 116 116 ALA C C 13 178.382 . . 1 . . . A 116 ALA C . 18817 1 537 . 1 1 116 116 ALA CA C 13 52.974 . . 1 . . . A 116 ALA CA . 18817 1 538 . 1 1 116 116 ALA CB C 13 18.106 . . 1 . . . A 116 ALA CB . 18817 1 539 . 1 1 116 116 ALA N N 15 123.570 . . 1 . . . A 116 ALA N . 18817 1 540 . 1 1 117 117 ALA H H 1 7.766 . . 1 . . . A 117 ALA H . 18817 1 541 . 1 1 117 117 ALA C C 13 178.099 . . 1 . . . A 117 ALA C . 18817 1 542 . 1 1 117 117 ALA CA C 13 52.818 . . 1 . . . A 117 ALA CA . 18817 1 543 . 1 1 117 117 ALA CB C 13 18.130 . . 1 . . . A 117 ALA CB . 18817 1 544 . 1 1 117 117 ALA N N 15 120.751 . . 1 . . . A 117 ALA N . 18817 1 545 . 1 1 118 118 GLY H H 1 7.885 . . 1 . . . A 118 GLY H . 18817 1 546 . 1 1 118 118 GLY C C 13 174.144 . . 1 . . . A 118 GLY C . 18817 1 547 . 1 1 118 118 GLY CA C 13 45.505 . . 1 . . . A 118 GLY CA . 18817 1 548 . 1 1 118 118 GLY N N 15 105.627 . . 1 . . . A 118 GLY N . 18817 1 549 . 1 1 119 119 PHE H H 1 7.730 . . 1 . . . A 119 PHE H . 18817 1 550 . 1 1 119 119 PHE HA H 1 4.542 . . 1 . . . A 119 PHE HA . 18817 1 551 . 1 1 119 119 PHE HB2 H 1 3.094 . . 2 . . . A 119 PHE HB2 . 18817 1 552 . 1 1 119 119 PHE HB3 H 1 3.009 . . 2 . . . A 119 PHE HB3 . 18817 1 553 . 1 1 119 119 PHE C C 13 175.543 . . 1 . . . A 119 PHE C . 18817 1 554 . 1 1 119 119 PHE CA C 13 57.858 . . 1 . . . A 119 PHE CA . 18817 1 555 . 1 1 119 119 PHE CB C 13 38.866 . . 1 . . . A 119 PHE CB . 18817 1 556 . 1 1 119 119 PHE N N 15 119.825 . . 1 . . . A 119 PHE N . 18817 1 557 . 1 1 120 120 LYS H H 1 7.897 . . 1 . . . A 120 LYS H . 18817 1 558 . 1 1 120 120 LYS C C 13 175.748 . . 1 . . . A 120 LYS C . 18817 1 559 . 1 1 120 120 LYS CA C 13 55.644 . . 1 . . . A 120 LYS CA . 18817 1 560 . 1 1 120 120 LYS CB C 13 32.442 . . 1 . . . A 120 LYS CB . 18817 1 561 . 1 1 120 120 LYS N N 15 122.164 . . 1 . . . A 120 LYS N . 18817 1 562 . 1 1 121 121 MET H H 1 7.937 . . 1 . . . A 121 MET H . 18817 1 563 . 1 1 121 121 MET HA H 1 4.481 . . 1 . . . A 121 MET HA . 18817 1 564 . 1 1 121 121 MET HB2 H 1 2.074 . . 2 . . . A 121 MET HB2 . 18817 1 565 . 1 1 121 121 MET HB3 H 1 1.981 . . 2 . . . A 121 MET HB3 . 18817 1 566 . 1 1 121 121 MET C C 13 175.641 . . 1 . . . A 121 MET C . 18817 1 567 . 1 1 121 121 MET CA C 13 54.851 . . 1 . . . A 121 MET CA . 18817 1 568 . 1 1 121 121 MET CB C 13 32.855 . . 1 . . . A 121 MET CB . 18817 1 569 . 1 1 121 121 MET N N 15 119.305 . . 1 . . . A 121 MET N . 18817 1 570 . 1 1 122 122 SER H H 1 8.052 . . 1 . . . A 122 SER H . 18817 1 571 . 1 1 122 122 SER C C 13 173.619 . . 1 . . . A 122 SER C . 18817 1 572 . 1 1 122 122 SER CA C 13 57.625 . . 1 . . . A 122 SER CA . 18817 1 573 . 1 1 122 122 SER CB C 13 62.847 . . 1 . . . A 122 SER CB . 18817 1 574 . 1 1 122 122 SER N N 15 117.184 . . 1 . . . A 122 SER N . 18817 1 575 . 1 1 123 123 PRO C C 13 176.889 . . 1 . . . A 123 PRO C . 18817 1 576 . 1 1 123 123 PRO CA C 13 63.943 . . 1 . . . A 123 PRO CA . 18817 1 577 . 1 1 123 123 PRO CB C 13 31.150 . . 1 . . . A 123 PRO CB . 18817 1 stop_ save_