################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34460 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 1 '2D 1H-15N HSQC' . . . 34460 1 2 '2D 1H-15N HSQC' . . . 34460 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 ILE H H 1 8.200 0.020 . . . . . . X 3 ILE H . 34460 1 2 . 1 . 1 3 3 ILE HA H 1 4.223 0.020 . . . . . . X 3 ILE HA . 34460 1 3 . 1 . 1 3 3 ILE HB H 1 1.848 0.020 . . . . . . X 3 ILE HB . 34460 1 4 . 1 . 1 3 3 ILE C C 13 173.963 0.400 . . . . . . X 3 ILE C . 34460 1 5 . 1 . 1 3 3 ILE CA C 13 59.641 0.400 . . . . . . X 3 ILE CA . 34460 1 6 . 1 . 1 3 3 ILE CB C 13 37.005 0.400 . . . . . . X 3 ILE CB . 34460 1 7 . 1 . 1 3 3 ILE N N 15 121.016 0.400 . . . . . . X 3 ILE N . 34460 1 8 . 1 . 1 4 4 GLY H H 1 8.432 0.020 . . . . . . X 4 GLY H . 34460 1 9 . 1 . 1 4 4 GLY HA2 H 1 3.992 0.020 . . . . . . X 4 GLY HA2 . 34460 1 10 . 1 . 1 4 4 GLY HA3 H 1 3.786 0.020 . . . . . . X 4 GLY HA3 . 34460 1 11 . 1 . 1 4 4 GLY C C 13 171.460 0.400 . . . . . . X 4 GLY C . 34460 1 12 . 1 . 1 4 4 GLY CA C 13 43.667 0.400 . . . . . . X 4 GLY CA . 34460 1 13 . 1 . 1 4 4 GLY N N 15 112.321 0.400 . . . . . . X 4 GLY N . 34460 1 14 . 1 . 1 5 5 ILE H H 1 7.884 0.020 . . . . . . X 5 ILE H . 34460 1 15 . 1 . 1 5 5 ILE HA H 1 4.146 0.020 . . . . . . X 5 ILE HA . 34460 1 16 . 1 . 1 5 5 ILE HB H 1 1.784 0.020 . . . . . . X 5 ILE HB . 34460 1 17 . 1 . 1 5 5 ILE C C 13 173.319 0.400 . . . . . . X 5 ILE C . 34460 1 18 . 1 . 1 5 5 ILE CA C 13 59.420 0.400 . . . . . . X 5 ILE CA . 34460 1 19 . 1 . 1 5 5 ILE CB C 13 37.005 0.400 . . . . . . X 5 ILE CB . 34460 1 20 . 1 . 1 5 5 ILE N N 15 119.504 0.400 . . . . . . X 5 ILE N . 34460 1 21 . 1 . 1 6 6 ASN H H 1 8.468 0.020 . . . . . . X 6 ASN H . 34460 1 22 . 1 . 1 6 6 ASN CB C 13 37.575 0.400 . . . . . . X 6 ASN CB . 34460 1 23 . 1 . 1 6 6 ASN N N 15 122.366 0.400 . . . . . . X 6 ASN N . 34460 1 24 . 1 . 1 24 24 TRP H H 1 8.399 0.020 . . . . . . X 24 TRP H . 34460 1 25 . 1 . 1 24 24 TRP HA H 1 4.480 0.020 . . . . . . X 24 TRP HA . 34460 1 26 . 1 . 1 24 24 TRP HB2 H 1 2.671 0.020 . . . . . . X 24 TRP HB2 . 34460 1 27 . 1 . 1 24 24 TRP HB3 H 1 2.671 0.020 . . . . . . X 24 TRP HB3 . 34460 1 28 . 1 . 1 24 24 TRP C C 13 173.246 0.400 . . . . . . X 24 TRP C . 34460 1 29 . 1 . 1 24 24 TRP CA C 13 55.812 0.400 . . . . . . X 24 TRP CA . 34460 1 30 . 1 . 1 24 24 TRP CB C 13 27.689 0.400 . . . . . . X 24 TRP CB . 34460 1 31 . 1 . 1 24 24 TRP N N 15 122.515 0.400 . . . . . . X 24 TRP N . 34460 1 32 . 1 . 1 25 25 GLU H H 1 8.952 0.020 . . . . . . X 25 GLU H . 34460 1 33 . 1 . 1 25 25 GLU HA H 1 4.394 0.020 . . . . . . X 25 GLU HA . 34460 1 34 . 1 . 1 25 25 GLU C C 13 172.280 0.400 . . . . . . X 25 GLU C . 34460 1 35 . 1 . 1 25 25 GLU CA C 13 54.160 0.400 . . . . . . X 25 GLU CA . 34460 1 36 . 1 . 1 25 25 GLU CB C 13 27.916 0.400 . . . . . . X 25 GLU CB . 34460 1 37 . 1 . 1 25 25 GLU N N 15 125.501 0.400 . . . . . . X 25 GLU N . 34460 1 38 . 1 . 1 26 26 VAL H H 1 8.226 0.020 . . . . . . X 26 VAL H . 34460 1 39 . 1 . 1 26 26 VAL HA H 1 4.124 0.020 . . . . . . X 26 VAL HA . 34460 1 40 . 1 . 1 26 26 VAL HB H 1 1.706 0.020 . . . . . . X 26 VAL HB . 34460 1 41 . 1 . 1 26 26 VAL HG11 H 1 0.845 0.020 . . . . . . X 26 VAL HG11 . 34460 1 42 . 1 . 1 26 26 VAL HG12 H 1 0.845 0.020 . . . . . . X 26 VAL HG12 . 34460 1 43 . 1 . 1 26 26 VAL HG13 H 1 0.845 0.020 . . . . . . X 26 VAL HG13 . 34460 1 44 . 1 . 1 26 26 VAL HG21 H 1 0.549 0.020 . . . . . . X 26 VAL HG21 . 34460 1 45 . 1 . 1 26 26 VAL HG22 H 1 0.549 0.020 . . . . . . X 26 VAL HG22 . 34460 1 46 . 1 . 1 26 26 VAL HG23 H 1 0.549 0.020 . . . . . . X 26 VAL HG23 . 34460 1 47 . 1 . 1 26 26 VAL C C 13 171.050 0.400 . . . . . . X 26 VAL C . 34460 1 48 . 1 . 1 26 26 VAL CA C 13 58.043 0.400 . . . . . . X 26 VAL CA . 34460 1 49 . 1 . 1 26 26 VAL CB C 13 32.216 0.400 . . . . . . X 26 VAL CB . 34460 1 50 . 1 . 1 26 26 VAL N N 15 125.705 0.400 . . . . . . X 26 VAL N . 34460 1 51 . 1 . 1 28 28 GLU H H 1 8.833 0.020 . . . . . . X 28 GLU H . 34460 1 52 . 1 . 1 28 28 GLU C C 13 175.149 0.400 . . . . . . X 28 GLU C . 34460 1 53 . 1 . 1 28 28 GLU CA C 13 58.429 0.400 . . . . . . X 28 GLU CA . 34460 1 54 . 1 . 1 28 28 GLU CB C 13 27.861 0.400 . . . . . . X 28 GLU CB . 34460 1 55 . 1 . 1 28 28 GLU N N 15 126.248 0.400 . . . . . . X 28 GLU N . 34460 1 56 . 1 . 1 29 29 ALA H H 1 8.649 0.020 . . . . . . X 29 ALA H . 34460 1 57 . 1 . 1 29 29 ALA HA H 1 4.124 0.020 . . . . . . X 29 ALA HA . 34460 1 58 . 1 . 1 29 29 ALA C C 13 177.624 0.400 . . . . . . X 29 ALA C . 34460 1 59 . 1 . 1 29 29 ALA CA C 13 52.976 0.400 . . . . . . X 29 ALA CA . 34460 1 60 . 1 . 1 29 29 ALA CB C 13 16.834 0.400 . . . . . . X 29 ALA CB . 34460 1 61 . 1 . 1 29 29 ALA N N 15 117.450 0.400 . . . . . . X 29 ALA N . 34460 1 62 . 1 . 1 30 30 GLU H H 1 7.221 0.020 . . . . . . X 30 GLU H . 34460 1 63 . 1 . 1 30 30 GLU HA H 1 4.150 0.020 . . . . . . X 30 GLU HA . 34460 1 64 . 1 . 1 30 30 GLU C C 13 175.325 0.400 . . . . . . X 30 GLU C . 34460 1 65 . 1 . 1 30 30 GLU CA C 13 55.124 0.400 . . . . . . X 30 GLU CA . 34460 1 66 . 1 . 1 30 30 GLU CB C 13 26.483 0.400 . . . . . . X 30 GLU CB . 34460 1 67 . 1 . 1 30 30 GLU N N 15 112.559 0.400 . . . . . . X 30 GLU N . 34460 1 68 . 1 . 1 31 31 ILE H H 1 7.267 0.020 . . . . . . X 31 ILE H . 34460 1 69 . 1 . 1 31 31 ILE HA H 1 3.134 0.020 . . . . . . X 31 ILE HA . 34460 1 70 . 1 . 1 31 31 ILE C C 13 176.159 0.400 . . . . . . X 31 ILE C . 34460 1 71 . 1 . 1 31 31 ILE CA C 13 63.138 0.400 . . . . . . X 31 ILE CA . 34460 1 72 . 1 . 1 31 31 ILE CB C 13 36.020 0.400 . . . . . . X 31 ILE CB . 34460 1 73 . 1 . 1 31 31 ILE N N 15 117.790 0.400 . . . . . . X 31 ILE N . 34460 1 74 . 1 . 1 32 32 HIS H H 1 7.207 0.020 . . . . . . X 32 HIS H . 34460 1 75 . 1 . 1 32 32 HIS HA H 1 4.549 0.020 . . . . . . X 32 HIS HA . 34460 1 76 . 1 . 1 32 32 HIS C C 13 171.504 0.400 . . . . . . X 32 HIS C . 34460 1 77 . 1 . 1 32 32 HIS CA C 13 53.885 0.400 . . . . . . X 32 HIS CA . 34460 1 78 . 1 . 1 32 32 HIS CB C 13 28.302 0.400 . . . . . . X 32 HIS CB . 34460 1 79 . 1 . 1 32 32 HIS N N 15 114.175 0.400 . . . . . . X 32 HIS N . 34460 1 80 . 1 . 1 33 33 ARG H H 1 7.094 0.020 . . . . . . X 33 ARG H . 34460 1 81 . 1 . 1 33 33 ARG HA H 1 4.021 0.020 . . . . . . X 33 ARG HA . 34460 1 82 . 1 . 1 33 33 ARG C C 13 172.895 0.400 . . . . . . X 33 ARG C . 34460 1 83 . 1 . 1 33 33 ARG CA C 13 55.840 0.400 . . . . . . X 33 ARG CA . 34460 1 84 . 1 . 1 33 33 ARG CB C 13 28.964 0.400 . . . . . . X 33 ARG CB . 34460 1 85 . 1 . 1 33 33 ARG N N 15 123.694 0.400 . . . . . . X 33 ARG N . 34460 1 86 . 1 . 1 34 34 GLU H H 1 8.506 0.020 . . . . . . X 34 GLU H . 34460 1 87 . 1 . 1 34 34 GLU HA H 1 3.931 0.020 . . . . . . X 34 GLU HA . 34460 1 88 . 1 . 1 34 34 GLU C C 13 171.972 0.400 . . . . . . X 34 GLU C . 34460 1 89 . 1 . 1 34 34 GLU CA C 13 54.270 0.400 . . . . . . X 34 GLU CA . 34460 1 90 . 1 . 1 34 34 GLU CB C 13 28.782 0.400 . . . . . . X 34 GLU CB . 34460 1 91 . 1 . 1 34 34 GLU N N 15 127.489 0.400 . . . . . . X 34 GLU N . 34460 1 92 . 1 . 1 35 35 ASN H H 1 8.239 0.020 . . . . . . X 35 ASN H . 34460 1 93 . 1 . 1 35 35 ASN HA H 1 2.388 0.020 . . . . . . X 35 ASN HA . 34460 1 94 . 1 . 1 35 35 ASN CA C 13 46.724 0.400 . . . . . . X 35 ASN CA . 34460 1 95 . 1 . 1 35 35 ASN CB C 13 37.874 0.400 . . . . . . X 35 ASN CB . 34460 1 96 . 1 . 1 35 35 ASN N N 15 122.193 0.400 . . . . . . X 35 ASN N . 34460 1 97 . 1 . 1 40 40 ASP H H 1 8.188 0.020 . . . . . . X 40 ASP H . 34460 1 98 . 1 . 1 40 40 ASP HA H 1 4.352 0.020 . . . . . . X 40 ASP HA . 34460 1 99 . 1 . 1 40 40 ASP C C 13 172.075 0.400 . . . . . . X 40 ASP C . 34460 1 100 . 1 . 1 40 40 ASP CA C 13 50.056 0.400 . . . . . . X 40 ASP CA . 34460 1 101 . 1 . 1 40 40 ASP CB C 13 39.439 0.400 . . . . . . X 40 ASP CB . 34460 1 102 . 1 . 1 40 40 ASP N N 15 123.041 0.400 . . . . . . X 40 ASP N . 34460 1 103 . 1 . 1 41 41 ALA H H 1 8.011 0.020 . . . . . . X 41 ALA H . 34460 1 104 . 1 . 1 41 41 ALA HA H 1 3.850 0.020 . . . . . . X 41 ALA HA . 34460 1 105 . 1 . 1 41 41 ALA HB1 H 1 1.285 0.020 . . . . . . X 41 ALA HB1 . 34460 1 106 . 1 . 1 41 41 ALA HB2 H 1 1.285 0.020 . . . . . . X 41 ALA HB2 . 34460 1 107 . 1 . 1 41 41 ALA HB3 H 1 1.285 0.020 . . . . . . X 41 ALA HB3 . 34460 1 108 . 1 . 1 41 41 ALA C C 13 177.111 0.400 . . . . . . X 41 ALA C . 34460 1 109 . 1 . 1 41 41 ALA CA C 13 53.802 0.400 . . . . . . X 41 ALA CA . 34460 1 110 . 1 . 1 41 41 ALA CB C 13 16.173 0.400 . . . . . . X 41 ALA CB . 34460 1 111 . 1 . 1 41 41 ALA N N 15 119.285 0.400 . . . . . . X 41 ALA N . 34460 1 112 . 1 . 1 42 42 ARG H H 1 7.551 0.020 . . . . . . X 42 ARG H . 34460 1 113 . 1 . 1 42 42 ARG HA H 1 3.760 0.020 . . . . . . X 42 ARG HA . 34460 1 114 . 1 . 1 42 42 ARG C C 13 175.764 0.400 . . . . . . X 42 ARG C . 34460 1 115 . 1 . 1 42 42 ARG CA C 13 57.685 0.400 . . . . . . X 42 ARG CA . 34460 1 116 . 1 . 1 42 42 ARG CB C 13 25.821 0.400 . . . . . . X 42 ARG CB . 34460 1 117 . 1 . 1 42 42 ARG N N 15 116.873 0.400 . . . . . . X 42 ARG N . 34460 1 118 . 1 . 1 43 43 SER H H 1 7.874 0.020 . . . . . . X 43 SER H . 34460 1 119 . 1 . 1 43 43 SER HA H 1 3.722 0.020 . . . . . . X 43 SER HA . 34460 1 120 . 1 . 1 43 43 SER C C 13 174.754 0.400 . . . . . . X 43 SER C . 34460 1 121 . 1 . 1 43 43 SER CA C 13 59.365 0.400 . . . . . . X 43 SER CA . 34460 1 122 . 1 . 1 43 43 SER CB C 13 63.366 0.400 . . . . . . X 43 SER CB . 34460 1 123 . 1 . 1 43 43 SER N N 15 113.692 0.400 . . . . . . X 43 SER N . 34460 1 124 . 1 . 1 44 44 LEU H H 1 8.203 0.020 . . . . . . X 44 LEU H . 34460 1 125 . 1 . 1 44 44 LEU HA H 1 3.863 0.020 . . . . . . X 44 LEU HA . 34460 1 126 . 1 . 1 44 44 LEU HB2 H 1 1.671 0.020 . . . . . . X 44 LEU HB2 . 34460 1 127 . 1 . 1 44 44 LEU HB3 H 1 1.671 0.020 . . . . . . X 44 LEU HB3 . 34460 1 128 . 1 . 1 44 44 LEU C C 13 178.180 0.400 . . . . . . X 44 LEU C . 34460 1 129 . 1 . 1 44 44 LEU CA C 13 56.363 0.400 . . . . . . X 44 LEU CA . 34460 1 130 . 1 . 1 44 44 LEU CB C 13 39.108 0.400 . . . . . . X 44 LEU CB . 34460 1 131 . 1 . 1 44 44 LEU N N 15 114.863 0.400 . . . . . . X 44 LEU N . 34460 1 132 . 1 . 1 45 45 ASP H H 1 8.275 0.020 . . . . . . X 45 ASP H . 34460 1 133 . 1 . 1 45 45 ASP HA H 1 4.365 0.020 . . . . . . X 45 ASP HA . 34460 1 134 . 1 . 1 45 45 ASP HB2 H 1 2.642 0.020 . . . . . . X 45 ASP HB2 . 34460 1 135 . 1 . 1 45 45 ASP HB3 H 1 2.642 0.020 . . . . . . X 45 ASP HB3 . 34460 1 136 . 1 . 1 45 45 ASP C C 13 175.925 0.400 . . . . . . X 45 ASP C . 34460 1 137 . 1 . 1 45 45 ASP CA C 13 55.454 0.400 . . . . . . X 45 ASP CA . 34460 1 138 . 1 . 1 45 45 ASP N N 15 120.986 0.400 . . . . . . X 45 ASP N . 34460 1 139 . 1 . 1 46 46 GLN H H 1 8.491 0.020 . . . . . . X 46 GLN H . 34460 1 140 . 1 . 1 46 46 GLN HA H 1 4.056 0.020 . . . . . . X 46 GLN HA . 34460 1 141 . 1 . 1 46 46 GLN C C 13 176.364 0.400 . . . . . . X 46 GLN C . 34460 1 142 . 1 . 1 46 46 GLN CA C 13 56.336 0.400 . . . . . . X 46 GLN CA . 34460 1 143 . 1 . 1 46 46 GLN CB C 13 25.711 0.400 . . . . . . X 46 GLN CB . 34460 1 144 . 1 . 1 46 46 GLN N N 15 120.640 0.400 . . . . . . X 46 GLN N . 34460 1 145 . 1 . 1 47 47 GLY H H 1 9.212 0.020 . . . . . . X 47 GLY H . 34460 1 146 . 1 . 1 47 47 GLY HA2 H 1 3.362 0.020 . . . . . . X 47 GLY HA2 . 34460 1 147 . 1 . 1 47 47 GLY HA3 H 1 3.362 0.020 . . . . . . X 47 GLY HA3 . 34460 1 148 . 1 . 1 47 47 GLY C C 13 171.562 0.400 . . . . . . X 47 GLY C . 34460 1 149 . 1 . 1 47 47 GLY CA C 13 45.016 0.400 . . . . . . X 47 GLY CA . 34460 1 150 . 1 . 1 47 47 GLY N N 15 107.615 0.400 . . . . . . X 47 GLY N . 34460 1 151 . 1 . 1 48 48 GLY H H 1 7.557 0.020 . . . . . . X 48 GLY H . 34460 1 152 . 1 . 1 48 48 GLY HA2 H 1 3.323 0.020 . . . . . . X 48 GLY HA2 . 34460 1 153 . 1 . 1 48 48 GLY HA3 H 1 2.263 0.020 . . . . . . X 48 GLY HA3 . 34460 1 154 . 1 . 1 48 48 GLY C C 13 174.227 0.400 . . . . . . X 48 GLY C . 34460 1 155 . 1 . 1 48 48 GLY N N 15 108.210 0.400 . . . . . . X 48 GLY N . 34460 1 156 . 1 . 1 49 49 VAL H H 1 7.660 0.020 . . . . . . X 49 VAL H . 34460 1 157 . 1 . 1 49 49 VAL HA H 1 3.473 0.020 . . . . . . X 49 VAL HA . 34460 1 158 . 1 . 1 49 49 VAL HB H 1 1.967 0.020 . . . . . . X 49 VAL HB . 34460 1 159 . 1 . 1 49 49 VAL HG11 H 1 0.809 0.020 . . . . . . X 49 VAL HG11 . 34460 1 160 . 1 . 1 49 49 VAL HG12 H 1 0.809 0.020 . . . . . . X 49 VAL HG12 . 34460 1 161 . 1 . 1 49 49 VAL HG13 H 1 0.809 0.020 . . . . . . X 49 VAL HG13 . 34460 1 162 . 1 . 1 49 49 VAL HG21 H 1 0.809 0.020 . . . . . . X 49 VAL HG21 . 34460 1 163 . 1 . 1 49 49 VAL HG22 H 1 0.809 0.020 . . . . . . X 49 VAL HG22 . 34460 1 164 . 1 . 1 49 49 VAL HG23 H 1 0.809 0.020 . . . . . . X 49 VAL HG23 . 34460 1 165 . 1 . 1 49 49 VAL C C 13 176.525 0.400 . . . . . . X 49 VAL C . 34460 1 166 . 1 . 1 49 49 VAL CA C 13 64.543 0.400 . . . . . . X 49 VAL CA . 34460 1 167 . 1 . 1 49 49 VAL CB C 13 29.956 0.400 . . . . . . X 49 VAL CB . 34460 1 168 . 1 . 1 49 49 VAL N N 15 125.391 0.400 . . . . . . X 49 VAL N . 34460 1 169 . 1 . 1 50 50 LEU H H 1 8.172 0.020 . . . . . . X 50 LEU H . 34460 1 170 . 1 . 1 50 50 LEU HA H 1 4.027 0.020 . . . . . . X 50 LEU HA . 34460 1 171 . 1 . 1 50 50 LEU C C 13 175.706 0.400 . . . . . . X 50 LEU C . 34460 1 172 . 1 . 1 50 50 LEU CA C 13 55.386 0.400 . . . . . . X 50 LEU CA . 34460 1 173 . 1 . 1 50 50 LEU CB C 13 41.313 0.400 . . . . . . X 50 LEU CB . 34460 1 174 . 1 . 1 50 50 LEU N N 15 120.694 0.400 . . . . . . X 50 LEU N . 34460 1 175 . 1 . 1 51 51 TYR H H 1 8.186 0.020 . . . . . . X 51 TYR H . 34460 1 176 . 1 . 1 51 51 TYR HA H 1 4.072 0.020 . . . . . . X 51 TYR HA . 34460 1 177 . 1 . 1 51 51 TYR CA C 13 59.915 0.400 . . . . . . X 51 TYR CA . 34460 1 178 . 1 . 1 51 51 TYR CB C 13 37.289 0.400 . . . . . . X 51 TYR CB . 34460 1 179 . 1 . 1 51 51 TYR N N 15 120.849 0.400 . . . . . . X 51 TYR N . 34460 1 180 . 1 . 1 52 52 ALA H H 1 7.671 0.020 . . . . . . X 52 ALA H . 34460 1 181 . 1 . 1 52 52 ALA HA H 1 3.864 0.020 . . . . . . X 52 ALA HA . 34460 1 182 . 1 . 1 52 52 ALA HB1 H 1 1.420 0.020 . . . . . . X 52 ALA HB1 . 34460 1 183 . 1 . 1 52 52 ALA HB2 H 1 1.420 0.020 . . . . . . X 52 ALA HB2 . 34460 1 184 . 1 . 1 52 52 ALA HB3 H 1 1.420 0.020 . . . . . . X 52 ALA HB3 . 34460 1 185 . 1 . 1 52 52 ALA C C 13 175.545 0.400 . . . . . . X 52 ALA C . 34460 1 186 . 1 . 1 52 52 ALA CA C 13 52.618 0.400 . . . . . . X 52 ALA CA . 34460 1 187 . 1 . 1 52 52 ALA CB C 13 16.118 0.400 . . . . . . X 52 ALA CB . 34460 1 188 . 1 . 1 52 52 ALA N N 15 122.821 0.400 . . . . . . X 52 ALA N . 34460 1 189 . 1 . 1 53 53 GLU H H 1 7.352 0.020 . . . . . . X 53 GLU H . 34460 1 190 . 1 . 1 53 53 GLU HA H 1 3.789 0.020 . . . . . . X 53 GLU HA . 34460 1 191 . 1 . 1 53 53 GLU C C 13 175.676 0.400 . . . . . . X 53 GLU C . 34460 1 192 . 1 . 1 53 53 GLU CA C 13 56.666 0.400 . . . . . . X 53 GLU CA . 34460 1 193 . 1 . 1 53 53 GLU CB C 13 28.522 0.400 . . . . . . X 53 GLU CB . 34460 1 194 . 1 . 1 53 53 GLU N N 15 116.632 0.400 . . . . . . X 53 GLU N . 34460 1 195 . 1 . 1 54 54 HIS H H 1 7.782 0.020 . . . . . . X 54 HIS H . 34460 1 196 . 1 . 1 54 54 HIS HA H 1 4.497 0.020 . . . . . . X 54 HIS HA . 34460 1 197 . 1 . 1 54 54 HIS C C 13 174.578 0.400 . . . . . . X 54 HIS C . 34460 1 198 . 1 . 1 54 54 HIS CA C 13 56.005 0.400 . . . . . . X 54 HIS CA . 34460 1 199 . 1 . 1 54 54 HIS CB C 13 32.492 0.400 . . . . . . X 54 HIS CB . 34460 1 200 . 1 . 1 54 54 HIS N N 15 111.439 0.400 . . . . . . X 54 HIS N . 34460 1 201 . 1 . 1 55 55 CYS H H 1 7.471 0.020 . . . . . . X 55 CYS H . 34460 1 202 . 1 . 1 55 55 CYS HA H 1 3.769 0.020 . . . . . . X 55 CYS HA . 34460 1 203 . 1 . 1 55 55 CYS C C 13 175.266 0.400 . . . . . . X 55 CYS C . 34460 1 204 . 1 . 1 55 55 CYS CA C 13 52.563 0.400 . . . . . . X 55 CYS CA . 34460 1 205 . 1 . 1 55 55 CYS CB C 13 34.367 0.400 . . . . . . X 55 CYS CB . 34460 1 206 . 1 . 1 55 55 CYS N N 15 115.435 0.400 . . . . . . X 55 CYS N . 34460 1 207 . 1 . 1 56 56 VAL H H 1 7.421 0.020 . . . . . . X 56 VAL H . 34460 1 208 . 1 . 1 56 56 VAL HA H 1 3.869 0.020 . . . . . . X 56 VAL HA . 34460 1 209 . 1 . 1 56 56 VAL C C 13 173.934 0.400 . . . . . . X 56 VAL C . 34460 1 210 . 1 . 1 56 56 VAL CA C 13 63.827 0.400 . . . . . . X 56 VAL CA . 34460 1 211 . 1 . 1 56 56 VAL CB C 13 30.287 0.400 . . . . . . X 56 VAL CB . 34460 1 212 . 1 . 1 56 56 VAL N N 15 124.244 0.400 . . . . . . X 56 VAL N . 34460 1 213 . 1 . 1 57 57 ARG H H 1 8.488 0.020 . . . . . . X 57 ARG H . 34460 1 214 . 1 . 1 57 57 ARG HA H 1 4.364 0.020 . . . . . . X 57 ARG HA . 34460 1 215 . 1 . 1 57 57 ARG C C 13 172.836 0.400 . . . . . . X 57 ARG C . 34460 1 216 . 1 . 1 57 57 ARG CA C 13 56.721 0.400 . . . . . . X 57 ARG CA . 34460 1 217 . 1 . 1 57 57 ARG CB C 13 25.986 0.400 . . . . . . X 57 ARG CB . 34460 1 218 . 1 . 1 57 57 ARG N N 15 118.543 0.400 . . . . . . X 57 ARG N . 34460 1 219 . 1 . 1 58 58 CYS H H 1 7.454 0.020 . . . . . . X 58 CYS H . 34460 1 220 . 1 . 1 58 58 CYS HA H 1 5.656 0.020 . . . . . . X 58 CYS HA . 34460 1 221 . 1 . 1 58 58 CYS C C 13 173.290 0.400 . . . . . . X 58 CYS C . 34460 1 222 . 1 . 1 58 58 CYS CA C 13 54.325 0.400 . . . . . . X 58 CYS CA . 34460 1 223 . 1 . 1 58 58 CYS CB C 13 41.699 0.400 . . . . . . X 58 CYS CB . 34460 1 224 . 1 . 1 58 58 CYS N N 15 113.819 0.400 . . . . . . X 58 CYS N . 34460 1 225 . 1 . 1 59 59 HIS H H 1 10.307 0.020 . . . . . . X 59 HIS H . 34460 1 226 . 1 . 1 59 59 HIS CA C 13 52.260 0.400 . . . . . . X 59 HIS CA . 34460 1 227 . 1 . 1 59 59 HIS N N 15 115.220 0.400 . . . . . . X 59 HIS N . 34460 1 228 . 1 . 1 60 60 GLY H H 1 9.652 0.020 . . . . . . X 60 GLY H . 34460 1 229 . 1 . 1 60 60 GLY HA2 H 1 5.489 0.020 . . . . . . X 60 GLY HA2 . 34460 1 230 . 1 . 1 60 60 GLY HA3 H 1 4.740 0.020 . . . . . . X 60 GLY HA3 . 34460 1 231 . 1 . 1 60 60 GLY C C 13 174.769 0.400 . . . . . . X 60 GLY C . 34460 1 232 . 1 . 1 60 60 GLY CA C 13 43.997 0.400 . . . . . . X 60 GLY CA . 34460 1 233 . 1 . 1 60 60 GLY N N 15 109.043 0.400 . . . . . . X 60 GLY N . 34460 1 234 . 1 . 1 61 61 GLU H H 1 10.001 0.020 . . . . . . X 61 GLU H . 34460 1 235 . 1 . 1 61 61 GLU HA H 1 4.543 0.020 . . . . . . X 61 GLU HA . 34460 1 236 . 1 . 1 61 61 GLU CA C 13 58.515 0.400 . . . . . . X 61 GLU CA . 34460 1 237 . 1 . 1 61 61 GLU N N 15 125.680 0.400 . . . . . . X 61 GLU N . 34460 1 238 . 1 . 1 62 62 THR H H 1 9.063 0.020 . . . . . . X 62 THR H . 34460 1 239 . 1 . 1 62 62 THR HA H 1 4.574 0.020 . . . . . . X 62 THR HA . 34460 1 240 . 1 . 1 62 62 THR C C 13 171.943 0.400 . . . . . . X 62 THR C . 34460 1 241 . 1 . 1 62 62 THR CA C 13 59.420 0.400 . . . . . . X 62 THR CA . 34460 1 242 . 1 . 1 62 62 THR CB C 13 67.391 0.400 . . . . . . X 62 THR CB . 34460 1 243 . 1 . 1 62 62 THR N N 15 106.723 0.400 . . . . . . X 62 THR N . 34460 1 244 . 1 . 1 63 63 LEU H H 1 8.099 0.020 . . . . . . X 63 LEU H . 34460 1 245 . 1 . 1 63 63 LEU HA H 1 5.323 0.020 . . . . . . X 63 LEU HA . 34460 1 246 . 1 . 1 63 63 LEU C C 13 175.609 0.400 . . . . . . X 63 LEU C . 34460 1 247 . 1 . 1 63 63 LEU CA C 13 59.861 0.400 . . . . . . X 63 LEU CA . 34460 1 248 . 1 . 1 63 63 LEU CB C 13 36.131 0.400 . . . . . . X 63 LEU CB . 34460 1 249 . 1 . 1 63 63 LEU N N 15 114.608 0.400 . . . . . . X 63 LEU N . 34460 1 250 . 1 . 1 64 64 ARG H H 1 9.209 0.020 . . . . . . X 64 ARG H . 34460 1 251 . 1 . 1 64 64 ARG HA H 1 5.439 0.020 . . . . . . X 64 ARG HA . 34460 1 252 . 1 . 1 64 64 ARG HB2 H 1 2.527 0.020 . . . . . . X 64 ARG HB2 . 34460 1 253 . 1 . 1 64 64 ARG HB3 H 1 2.527 0.020 . . . . . . X 64 ARG HB3 . 34460 1 254 . 1 . 1 64 64 ARG HG2 H 1 2.168 0.020 . . . . . . X 64 ARG HG2 . 34460 1 255 . 1 . 1 64 64 ARG HG3 H 1 2.168 0.020 . . . . . . X 64 ARG HG3 . 34460 1 256 . 1 . 1 64 64 ARG HD2 H 1 4.288 0.020 . . . . . . X 64 ARG HD2 . 34460 1 257 . 1 . 1 64 64 ARG HD3 H 1 4.288 0.020 . . . . . . X 64 ARG HD3 . 34460 1 258 . 1 . 1 64 64 ARG C C 13 175.340 0.400 . . . . . . X 64 ARG C . 34460 1 259 . 1 . 1 64 64 ARG CA C 13 55.454 0.400 . . . . . . X 64 ARG CA . 34460 1 260 . 1 . 1 64 64 ARG CB C 13 28.192 0.400 . . . . . . X 64 ARG CB . 34460 1 261 . 1 . 1 64 64 ARG N N 15 116.871 0.400 . . . . . . X 64 ARG N . 34460 1 262 . 1 . 1 65 65 GLY H H 1 10.450 0.020 . . . . . . X 65 GLY H . 34460 1 263 . 1 . 1 65 65 GLY HA2 H 1 4.973 0.020 . . . . . . X 65 GLY HA2 . 34460 1 264 . 1 . 1 65 65 GLY HA3 H 1 4.973 0.020 . . . . . . X 65 GLY HA3 . 34460 1 265 . 1 . 1 65 65 GLY C C 13 170.933 0.400 . . . . . . X 65 GLY C . 34460 1 266 . 1 . 1 65 65 GLY CA C 13 45.843 0.400 . . . . . . X 65 GLY CA . 34460 1 267 . 1 . 1 65 65 GLY N N 15 108.463 0.400 . . . . . . X 65 GLY N . 34460 1 268 . 1 . 1 66 66 ASP H H 1 8.620 0.020 . . . . . . X 66 ASP H . 34460 1 269 . 1 . 1 66 66 ASP HA H 1 4.840 0.020 . . . . . . X 66 ASP HA . 34460 1 270 . 1 . 1 66 66 ASP C C 13 174.783 0.400 . . . . . . X 66 ASP C . 34460 1 271 . 1 . 1 66 66 ASP CA C 13 50.938 0.400 . . . . . . X 66 ASP CA . 34460 1 272 . 1 . 1 66 66 ASP CB C 13 38.336 0.400 . . . . . . X 66 ASP CB . 34460 1 273 . 1 . 1 66 66 ASP N N 15 117.584 0.400 . . . . . . X 66 ASP N . 34460 1 274 . 1 . 1 67 67 GLY H H 1 7.678 0.020 . . . . . . X 67 GLY H . 34460 1 275 . 1 . 1 67 67 GLY HA2 H 1 4.491 0.020 . . . . . . X 67 GLY HA2 . 34460 1 276 . 1 . 1 67 67 GLY HA3 H 1 3.742 0.020 . . . . . . X 67 GLY HA3 . 34460 1 277 . 1 . 1 67 67 GLY C C 13 170.098 0.400 . . . . . . X 67 GLY C . 34460 1 278 . 1 . 1 67 67 GLY CA C 13 43.171 0.400 . . . . . . X 67 GLY CA . 34460 1 279 . 1 . 1 67 67 GLY N N 15 104.676 0.400 . . . . . . X 67 GLY N . 34460 1 280 . 1 . 1 69 69 ASP H H 1 8.567 0.020 . . . . . . X 69 ASP H . 34460 1 281 . 1 . 1 69 69 ASP HA H 1 4.639 0.020 . . . . . . X 69 ASP HA . 34460 1 282 . 1 . 1 69 69 ASP HB2 H 1 2.607 0.020 . . . . . . X 69 ASP HB2 . 34460 1 283 . 1 . 1 69 69 ASP HB3 H 1 2.169 0.020 . . . . . . X 69 ASP HB3 . 34460 1 284 . 1 . 1 69 69 ASP C C 13 173.100 0.400 . . . . . . X 69 ASP C . 34460 1 285 . 1 . 1 69 69 ASP CA C 13 52.425 0.400 . . . . . . X 69 ASP CA . 34460 1 286 . 1 . 1 69 69 ASP CB C 13 39.282 0.400 . . . . . . X 69 ASP CB . 34460 1 287 . 1 . 1 69 69 ASP N N 15 116.090 0.400 . . . . . . X 69 ASP N . 34460 1 288 . 1 . 1 70 70 ALA H H 1 7.660 0.020 . . . . . . X 70 ALA H . 34460 1 289 . 1 . 1 70 70 ALA HA H 1 3.340 0.020 . . . . . . X 70 ALA HA . 34460 1 290 . 1 . 1 70 70 ALA HB1 H 1 1.256 0.020 . . . . . . X 70 ALA HB1 . 34460 1 291 . 1 . 1 70 70 ALA HB2 H 1 1.256 0.020 . . . . . . X 70 ALA HB2 . 34460 1 292 . 1 . 1 70 70 ALA HB3 H 1 1.256 0.020 . . . . . . X 70 ALA HB3 . 34460 1 293 . 1 . 1 70 70 ALA C C 13 175.621 0.400 . . . . . . X 70 ALA C . 34460 1 294 . 1 . 1 70 70 ALA CA C 13 51.406 0.400 . . . . . . X 70 ALA CA . 34460 1 295 . 1 . 1 70 70 ALA CB C 13 17.800 0.400 . . . . . . X 70 ALA CB . 34460 1 296 . 1 . 1 70 70 ALA N N 15 120.464 0.400 . . . . . . X 70 ALA N . 34460 1 297 . 1 . 1 71 71 HIS H H 1 7.099 0.020 . . . . . . X 71 HIS H . 34460 1 298 . 1 . 1 71 71 HIS C C 13 171.612 0.400 . . . . . . X 71 HIS C . 34460 1 299 . 1 . 1 71 71 HIS CA C 13 55.518 0.400 . . . . . . X 71 HIS CA . 34460 1 300 . 1 . 1 71 71 HIS CB C 13 27.541 0.400 . . . . . . X 71 HIS CB . 34460 1 301 . 1 . 1 71 71 HIS N N 15 114.862 0.400 . . . . . . X 71 HIS N . 34460 1 302 . 1 . 1 72 72 ASP H H 1 8.203 0.020 . . . . . . X 72 ASP H . 34460 1 303 . 1 . 1 72 72 ASP HA H 1 4.034 0.020 . . . . . . X 72 ASP HA . 34460 1 304 . 1 . 1 72 72 ASP HB2 H 1 2.440 0.020 . . . . . . X 72 ASP HB2 . 34460 1 305 . 1 . 1 72 72 ASP HB3 H 1 2.440 0.020 . . . . . . X 72 ASP HB3 . 34460 1 306 . 1 . 1 72 72 ASP C C 13 172.075 0.400 . . . . . . X 72 ASP C . 34460 1 307 . 1 . 1 72 72 ASP CA C 13 53.224 0.400 . . . . . . X 72 ASP CA . 34460 1 308 . 1 . 1 72 72 ASP CB C 13 37.950 0.400 . . . . . . X 72 ASP CB . 34460 1 309 . 1 . 1 72 72 ASP N N 15 116.202 0.400 . . . . . . X 72 ASP N . 34460 1 310 . 1 . 1 73 73 LEU H H 1 6.666 0.020 . . . . . . X 73 LEU H . 34460 1 311 . 1 . 1 73 73 LEU HA H 1 3.658 0.020 . . . . . . X 73 LEU HA . 34460 1 312 . 1 . 1 73 73 LEU C C 13 171.972 0.400 . . . . . . X 73 LEU C . 34460 1 313 . 1 . 1 73 73 LEU CA C 13 52.866 0.400 . . . . . . X 73 LEU CA . 34460 1 314 . 1 . 1 73 73 LEU CB C 13 39.439 0.400 . . . . . . X 73 LEU CB . 34460 1 315 . 1 . 1 73 73 LEU N N 15 118.921 0.400 . . . . . . X 73 LEU N . 34460 1 316 . 1 . 1 74 74 ASP H H 1 7.212 0.020 . . . . . . X 74 ASP H . 34460 1 317 . 1 . 1 74 74 ASP HA H 1 3.824 0.020 . . . . . . X 74 ASP HA . 34460 1 318 . 1 . 1 74 74 ASP HB2 H 1 2.157 0.020 . . . . . . X 74 ASP HB2 . 34460 1 319 . 1 . 1 74 74 ASP HB3 H 1 1.912 0.020 . . . . . . X 74 ASP HB3 . 34460 1 320 . 1 . 1 74 74 ASP C C 13 170.303 0.400 . . . . . . X 74 ASP C . 34460 1 321 . 1 . 1 74 74 ASP CA C 13 49.010 0.400 . . . . . . X 74 ASP CA . 34460 1 322 . 1 . 1 74 74 ASP CB C 13 42.085 0.400 . . . . . . X 74 ASP CB . 34460 1 323 . 1 . 1 74 74 ASP N N 15 120.864 0.400 . . . . . . X 74 ASP N . 34460 1 324 . 1 . 1 79 79 ASP H H 1 9.305 0.020 . . . . . . X 79 ASP H . 34460 1 325 . 1 . 1 79 79 ASP HA H 1 5.535 0.020 . . . . . . X 79 ASP HA . 34460 1 326 . 1 . 1 79 79 ASP HB2 H 1 4.664 0.020 . . . . . . X 79 ASP HB2 . 34460 1 327 . 1 . 1 79 79 ASP HB3 H 1 4.664 0.020 . . . . . . X 79 ASP HB3 . 34460 1 328 . 1 . 1 79 79 ASP C C 13 175.398 0.400 . . . . . . X 79 ASP C . 34460 1 329 . 1 . 1 79 79 ASP CA C 13 53.224 0.400 . . . . . . X 79 ASP CA . 34460 1 330 . 1 . 1 79 79 ASP CB C 13 39.659 0.400 . . . . . . X 79 ASP CB . 34460 1 331 . 1 . 1 79 79 ASP N N 15 123.238 0.400 . . . . . . X 79 ASP N . 34460 1 332 . 1 . 1 80 80 LEU H H 1 10.188 0.020 . . . . . . X 80 LEU H . 34460 1 333 . 1 . 1 80 80 LEU HA H 1 5.072 0.020 . . . . . . X 80 LEU HA . 34460 1 334 . 1 . 1 80 80 LEU C C 13 176.833 0.400 . . . . . . X 80 LEU C . 34460 1 335 . 1 . 1 80 80 LEU CA C 13 56.529 0.400 . . . . . . X 80 LEU CA . 34460 1 336 . 1 . 1 80 80 LEU CB C 13 42.306 0.400 . . . . . . X 80 LEU CB . 34460 1 337 . 1 . 1 80 80 LEU N N 15 126.792 0.400 . . . . . . X 80 LEU N . 34460 1 338 . 1 . 1 81 81 VAL H H 1 8.781 0.020 . . . . . . X 81 VAL H . 34460 1 339 . 1 . 1 81 81 VAL HA H 1 3.696 0.020 . . . . . . X 81 VAL HA . 34460 1 340 . 1 . 1 81 81 VAL HB H 1 2.607 0.020 . . . . . . X 81 VAL HB . 34460 1 341 . 1 . 1 81 81 VAL HG11 H 1 1.256 0.020 . . . . . . X 81 VAL HG11 . 34460 1 342 . 1 . 1 81 81 VAL HG12 H 1 1.256 0.020 . . . . . . X 81 VAL HG12 . 34460 1 343 . 1 . 1 81 81 VAL HG13 H 1 1.256 0.020 . . . . . . X 81 VAL HG13 . 34460 1 344 . 1 . 1 81 81 VAL HG21 H 1 1.063 0.020 . . . . . . X 81 VAL HG21 . 34460 1 345 . 1 . 1 81 81 VAL HG22 H 1 1.063 0.020 . . . . . . X 81 VAL HG22 . 34460 1 346 . 1 . 1 81 81 VAL HG23 H 1 1.063 0.020 . . . . . . X 81 VAL HG23 . 34460 1 347 . 1 . 1 81 81 VAL C C 13 175.032 0.400 . . . . . . X 81 VAL C . 34460 1 348 . 1 . 1 81 81 VAL CA C 13 65.176 0.400 . . . . . . X 81 VAL CA . 34460 1 349 . 1 . 1 81 81 VAL CB C 13 29.901 0.400 . . . . . . X 81 VAL CB . 34460 1 350 . 1 . 1 81 81 VAL N N 15 121.265 0.400 . . . . . . X 81 VAL N . 34460 1 351 . 1 . 1 82 82 GLU H H 1 7.832 0.020 . . . . . . X 82 GLU H . 34460 1 352 . 1 . 1 82 82 GLU HA H 1 4.197 0.020 . . . . . . X 82 GLU HA . 34460 1 353 . 1 . 1 82 82 GLU C C 13 176.072 0.400 . . . . . . X 82 GLU C . 34460 1 354 . 1 . 1 82 82 GLU CA C 13 56.281 0.400 . . . . . . X 82 GLU CA . 34460 1 355 . 1 . 1 82 82 GLU CB C 13 28.467 0.400 . . . . . . X 82 GLU CB . 34460 1 356 . 1 . 1 82 82 GLU N N 15 117.866 0.400 . . . . . . X 82 GLU N . 34460 1 357 . 1 . 1 83 83 HIS H H 1 8.168 0.020 . . . . . . X 83 HIS H . 34460 1 358 . 1 . 1 83 83 HIS HA H 1 4.635 0.020 . . . . . . X 83 HIS HA . 34460 1 359 . 1 . 1 83 83 HIS HB2 H 1 3.314 0.020 . . . . . . X 83 HIS HB2 . 34460 1 360 . 1 . 1 83 83 HIS HB3 H 1 3.314 0.020 . . . . . . X 83 HIS HB3 . 34460 1 361 . 1 . 1 83 83 HIS C C 13 174.622 0.400 . . . . . . X 83 HIS C . 34460 1 362 . 1 . 1 83 83 HIS CA C 13 57.245 0.400 . . . . . . X 83 HIS CA . 34460 1 363 . 1 . 1 83 83 HIS CB C 13 30.176 0.400 . . . . . . X 83 HIS CB . 34460 1 364 . 1 . 1 83 83 HIS N N 15 112.544 0.400 . . . . . . X 83 HIS N . 34460 1 365 . 1 . 1 84 84 ALA H H 1 8.730 0.020 . . . . . . X 84 ALA H . 34460 1 366 . 1 . 1 84 84 ALA HA H 1 4.339 0.020 . . . . . . X 84 ALA HA . 34460 1 367 . 1 . 1 84 84 ALA HB1 H 1 1.462 0.020 . . . . . . X 84 ALA HB1 . 34460 1 368 . 1 . 1 84 84 ALA HB2 H 1 1.462 0.020 . . . . . . X 84 ALA HB2 . 34460 1 369 . 1 . 1 84 84 ALA HB3 H 1 1.462 0.020 . . . . . . X 84 ALA HB3 . 34460 1 370 . 1 . 1 84 84 ALA C C 13 173.509 0.400 . . . . . . X 84 ALA C . 34460 1 371 . 1 . 1 84 84 ALA CA C 13 55.950 0.400 . . . . . . X 84 ALA CA . 34460 1 372 . 1 . 1 84 84 ALA CB C 13 13.637 0.400 . . . . . . X 84 ALA CB . 34460 1 373 . 1 . 1 84 84 ALA N N 15 122.366 0.400 . . . . . . X 84 ALA N . 34460 1 374 . 1 . 1 86 86 HIS H H 1 7.395 0.020 . . . . . . X 86 HIS H . 34460 1 375 . 1 . 1 86 86 HIS HA H 1 4.419 0.020 . . . . . . X 86 HIS HA . 34460 1 376 . 1 . 1 86 86 HIS C C 13 171.533 0.400 . . . . . . X 86 HIS C . 34460 1 377 . 1 . 1 86 86 HIS CA C 13 53.554 0.400 . . . . . . X 86 HIS CA . 34460 1 378 . 1 . 1 86 86 HIS CB C 13 28.467 0.400 . . . . . . X 86 HIS CB . 34460 1 379 . 1 . 1 86 86 HIS N N 15 112.393 0.400 . . . . . . X 86 HIS N . 34460 1 380 . 1 . 1 87 87 HIS H H 1 7.770 0.020 . . . . . . X 87 HIS H . 34460 1 381 . 1 . 1 87 87 HIS HA H 1 5.174 0.020 . . . . . . X 87 HIS HA . 34460 1 382 . 1 . 1 87 87 HIS C C 13 171.972 0.400 . . . . . . X 87 HIS C . 34460 1 383 . 1 . 1 87 87 HIS CA C 13 52.012 0.400 . . . . . . X 87 HIS CA . 34460 1 384 . 1 . 1 87 87 HIS CB C 13 31.500 0.400 . . . . . . X 87 HIS CB . 34460 1 385 . 1 . 1 87 87 HIS N N 15 116.721 0.400 . . . . . . X 87 HIS N . 34460 1 386 . 1 . 1 88 88 SER H H 1 9.708 0.020 . . . . . . X 88 SER H . 34460 1 387 . 1 . 1 88 88 SER HA H 1 4.517 0.020 . . . . . . X 88 SER HA . 34460 1 388 . 1 . 1 88 88 SER C C 13 171.884 0.400 . . . . . . X 88 SER C . 34460 1 389 . 1 . 1 88 88 SER CA C 13 55.702 0.400 . . . . . . X 88 SER CA . 34460 1 390 . 1 . 1 88 88 SER N N 15 120.952 0.400 . . . . . . X 88 SER N . 34460 1 391 . 1 . 1 89 89 ASP H H 1 9.378 0.020 . . . . . . X 89 ASP H . 34460 1 392 . 1 . 1 89 89 ASP HA H 1 4.207 0.020 . . . . . . X 89 ASP HA . 34460 1 393 . 1 . 1 89 89 ASP C C 13 175.354 0.400 . . . . . . X 89 ASP C . 34460 1 394 . 1 . 1 89 89 ASP CA C 13 56.556 0.400 . . . . . . X 89 ASP CA . 34460 1 395 . 1 . 1 89 89 ASP CB C 13 38.446 0.400 . . . . . . X 89 ASP CB . 34460 1 396 . 1 . 1 89 89 ASP N N 15 121.415 0.400 . . . . . . X 89 ASP N . 34460 1 397 . 1 . 1 90 90 GLY H H 1 9.028 0.020 . . . . . . X 90 GLY H . 34460 1 398 . 1 . 1 90 90 GLY HA2 H 1 4.494 0.020 . . . . . . X 90 GLY HA2 . 34460 1 399 . 1 . 1 90 90 GLY HA3 H 1 3.799 0.020 . . . . . . X 90 GLY HA3 . 34460 1 400 . 1 . 1 90 90 GLY C C 13 173.817 0.400 . . . . . . X 90 GLY C . 34460 1 401 . 1 . 1 90 90 GLY CA C 13 45.705 0.400 . . . . . . X 90 GLY CA . 34460 1 402 . 1 . 1 90 90 GLY N N 15 107.236 0.400 . . . . . . X 90 GLY N . 34460 1 403 . 1 . 1 91 91 ASP H H 1 7.602 0.020 . . . . . . X 91 ASP H . 34460 1 404 . 1 . 1 91 91 ASP HA H 1 3.988 0.020 . . . . . . X 91 ASP HA . 34460 1 405 . 1 . 1 91 91 ASP C C 13 174.388 0.400 . . . . . . X 91 ASP C . 34460 1 406 . 1 . 1 91 91 ASP CA C 13 54.573 0.400 . . . . . . X 91 ASP CA . 34460 1 407 . 1 . 1 91 91 ASP CB C 13 41.038 0.400 . . . . . . X 91 ASP CB . 34460 1 408 . 1 . 1 91 91 ASP N N 15 122.554 0.400 . . . . . . X 91 ASP N . 34460 1 409 . 1 . 1 92 92 LEU H H 1 7.914 0.020 . . . . . . X 92 LEU H . 34460 1 410 . 1 . 1 92 92 LEU HA H 1 3.309 0.020 . . . . . . X 92 LEU HA . 34460 1 411 . 1 . 1 92 92 LEU C C 13 175.354 0.400 . . . . . . X 92 LEU C . 34460 1 412 . 1 . 1 92 92 LEU CA C 13 56.529 0.400 . . . . . . X 92 LEU CA . 34460 1 413 . 1 . 1 92 92 LEU CB C 13 40.762 0.400 . . . . . . X 92 LEU CB . 34460 1 414 . 1 . 1 92 92 LEU N N 15 114.875 0.400 . . . . . . X 92 LEU N . 34460 1 415 . 1 . 1 93 93 ALA H H 1 8.247 0.020 . . . . . . X 93 ALA H . 34460 1 416 . 1 . 1 93 93 ALA HA H 1 2.576 0.020 . . . . . . X 93 ALA HA . 34460 1 417 . 1 . 1 93 93 ALA C C 13 175.779 0.400 . . . . . . X 93 ALA C . 34460 1 418 . 1 . 1 93 93 ALA CA C 13 53.031 0.400 . . . . . . X 93 ALA CA . 34460 1 419 . 1 . 1 93 93 ALA CB C 13 16.173 0.400 . . . . . . X 93 ALA CB . 34460 1 420 . 1 . 1 93 93 ALA N N 15 118.320 0.400 . . . . . . X 93 ALA N . 34460 1 421 . 1 . 1 94 94 TYR H H 1 7.631 0.020 . . . . . . X 94 TYR H . 34460 1 422 . 1 . 1 94 94 TYR HA H 1 3.747 0.020 . . . . . . X 94 TYR HA . 34460 1 423 . 1 . 1 94 94 TYR C C 13 174.417 0.400 . . . . . . X 94 TYR C . 34460 1 424 . 1 . 1 94 94 TYR CA C 13 60.412 0.400 . . . . . . X 94 TYR CA . 34460 1 425 . 1 . 1 94 94 TYR CB C 13 36.682 0.400 . . . . . . X 94 TYR CB . 34460 1 426 . 1 . 1 94 94 TYR N N 15 118.860 0.400 . . . . . . X 94 TYR N . 34460 1 427 . 1 . 1 95 95 ARG H H 1 7.875 0.020 . . . . . . X 95 ARG H . 34460 1 428 . 1 . 1 95 95 ARG HA H 1 4.351 0.020 . . . . . . X 95 ARG HA . 34460 1 429 . 1 . 1 95 95 ARG C C 13 176.145 0.400 . . . . . . X 95 ARG C . 34460 1 430 . 1 . 1 95 95 ARG CA C 13 58.291 0.400 . . . . . . X 95 ARG CA . 34460 1 431 . 1 . 1 95 95 ARG CB C 13 27.640 0.400 . . . . . . X 95 ARG CB . 34460 1 432 . 1 . 1 95 95 ARG N N 15 117.408 0.400 . . . . . . X 95 ARG N . 34460 1 433 . 1 . 1 96 96 VAL H H 1 6.847 0.020 . . . . . . X 96 VAL H . 34460 1 434 . 1 . 1 96 96 VAL HA H 1 2.380 0.020 . . . . . . X 96 VAL HA . 34460 1 435 . 1 . 1 96 96 VAL C C 13 173.334 0.400 . . . . . . X 96 VAL C . 34460 1 436 . 1 . 1 96 96 VAL CA C 13 63.662 0.400 . . . . . . X 96 VAL CA . 34460 1 437 . 1 . 1 96 96 VAL CB C 13 28.302 0.400 . . . . . . X 96 VAL CB . 34460 1 438 . 1 . 1 96 96 VAL N N 15 114.791 0.400 . . . . . . X 96 VAL N . 34460 1 439 . 1 . 1 97 97 ARG H H 1 8.397 0.020 . . . . . . X 97 ARG H . 34460 1 440 . 1 . 1 97 97 ARG HA H 1 4.411 0.020 . . . . . . X 97 ARG HA . 34460 1 441 . 1 . 1 97 97 ARG C C 13 175.296 0.400 . . . . . . X 97 ARG C . 34460 1 442 . 1 . 1 97 97 ARG CA C 13 58.346 0.400 . . . . . . X 97 ARG CA . 34460 1 443 . 1 . 1 97 97 ARG CB C 13 30.066 0.400 . . . . . . X 97 ARG CB . 34460 1 444 . 1 . 1 97 97 ARG N N 15 119.881 0.400 . . . . . . X 97 ARG N . 34460 1 445 . 1 . 1 98 98 ILE H H 1 8.869 0.020 . . . . . . X 98 ILE H . 34460 1 446 . 1 . 1 98 98 ILE HA H 1 4.532 0.020 . . . . . . X 98 ILE HA . 34460 1 447 . 1 . 1 98 98 ILE HB H 1 1.964 0.020 . . . . . . X 98 ILE HB . 34460 1 448 . 1 . 1 98 98 ILE C C 13 176.072 0.400 . . . . . . X 98 ILE C . 34460 1 449 . 1 . 1 98 98 ILE CA C 13 59.145 0.400 . . . . . . X 98 ILE CA . 34460 1 450 . 1 . 1 98 98 ILE CB C 13 36.627 0.400 . . . . . . X 98 ILE CB . 34460 1 451 . 1 . 1 98 98 ILE N N 15 117.250 0.400 . . . . . . X 98 ILE N . 34460 1 452 . 1 . 1 99 99 GLY H H 1 8.781 0.020 . . . . . . X 99 GLY H . 34460 1 453 . 1 . 1 99 99 GLY C C 13 170.406 0.400 . . . . . . X 99 GLY C . 34460 1 454 . 1 . 1 99 99 GLY CA C 13 44.465 0.400 . . . . . . X 99 GLY CA . 34460 1 455 . 1 . 1 99 99 GLY N N 15 109.154 0.400 . . . . . . X 99 GLY N . 34460 1 456 . 1 . 1 100 100 ARG H H 1 10.879 0.020 . . . . . . X 100 ARG H . 34460 1 457 . 1 . 1 100 100 ARG C C 13 174.490 0.400 . . . . . . X 100 ARG C . 34460 1 458 . 1 . 1 100 100 ARG CA C 13 57.134 0.400 . . . . . . X 100 ARG CA . 34460 1 459 . 1 . 1 100 100 ARG N N 15 116.692 0.400 . . . . . . X 100 ARG N . 34460 1 460 . 1 . 1 105 105 GLY H H 1 9.259 0.020 . . . . . . X 105 GLY H . 34460 1 461 . 1 . 1 105 105 GLY HA2 H 1 5.831 0.020 . . . . . . X 105 GLY HA2 . 34460 1 462 . 1 . 1 105 105 GLY HA3 H 1 4.146 0.020 . . . . . . X 105 GLY HA3 . 34460 1 463 . 1 . 1 105 105 GLY CA C 13 43.667 0.400 . . . . . . X 105 GLY CA . 34460 1 464 . 1 . 1 105 105 GLY N N 15 103.356 0.400 . . . . . . X 105 GLY N . 34460 1 465 . 1 . 1 106 106 PHE H H 1 9.289 0.020 . . . . . . X 106 PHE H . 34460 1 466 . 1 . 1 106 106 PHE HA H 1 4.673 0.020 . . . . . . X 106 PHE HA . 34460 1 467 . 1 . 1 106 106 PHE C C 13 173.934 0.400 . . . . . . X 106 PHE C . 34460 1 468 . 1 . 1 106 106 PHE CA C 13 57.658 0.400 . . . . . . X 106 PHE CA . 34460 1 469 . 1 . 1 106 106 PHE CB C 13 37.178 0.400 . . . . . . X 106 PHE CB . 34460 1 470 . 1 . 1 106 106 PHE N N 15 120.037 0.400 . . . . . . X 106 PHE N . 34460 1 471 . 1 . 1 107 107 GLY H H 1 9.459 0.020 . . . . . . X 107 GLY H . 34460 1 472 . 1 . 1 107 107 GLY HA2 H 1 3.876 0.020 . . . . . . X 107 GLY HA2 . 34460 1 473 . 1 . 1 107 107 GLY HA3 H 1 3.876 0.020 . . . . . . X 107 GLY HA3 . 34460 1 474 . 1 . 1 107 107 GLY C C 13 170.816 0.400 . . . . . . X 107 GLY C . 34460 1 475 . 1 . 1 107 107 GLY CA C 13 45.512 0.400 . . . . . . X 107 GLY CA . 34460 1 476 . 1 . 1 107 107 GLY N N 15 110.314 0.400 . . . . . . X 107 GLY N . 34460 1 477 . 1 . 1 108 108 ASP H H 1 8.312 0.020 . . . . . . X 108 ASP H . 34460 1 478 . 1 . 1 108 108 ASP HA H 1 4.815 0.020 . . . . . . X 108 ASP HA . 34460 1 479 . 1 . 1 108 108 ASP HB2 H 1 2.671 0.020 . . . . . . X 108 ASP HB2 . 34460 1 480 . 1 . 1 108 108 ASP HB3 H 1 2.671 0.020 . . . . . . X 108 ASP HB3 . 34460 1 481 . 1 . 1 108 108 ASP C C 13 173.466 0.400 . . . . . . X 108 ASP C . 34460 1 482 . 1 . 1 108 108 ASP CA C 13 53.141 0.400 . . . . . . X 108 ASP CA . 34460 1 483 . 1 . 1 108 108 ASP CB C 13 38.832 0.400 . . . . . . X 108 ASP CB . 34460 1 484 . 1 . 1 108 108 ASP N N 15 116.090 0.400 . . . . . . X 108 ASP N . 34460 1 485 . 1 . 1 109 109 ALA H H 1 7.496 0.020 . . . . . . X 109 ALA H . 34460 1 486 . 1 . 1 109 109 ALA HA H 1 4.390 0.020 . . . . . . X 109 ALA HA . 34460 1 487 . 1 . 1 109 109 ALA HB1 H 1 1.308 0.020 . . . . . . X 109 ALA HB1 . 34460 1 488 . 1 . 1 109 109 ALA HB2 H 1 1.308 0.020 . . . . . . X 109 ALA HB2 . 34460 1 489 . 1 . 1 109 109 ALA HB3 H 1 1.308 0.020 . . . . . . X 109 ALA HB3 . 34460 1 490 . 1 . 1 109 109 ALA C C 13 173.714 0.400 . . . . . . X 109 ALA C . 34460 1 491 . 1 . 1 109 109 ALA CA C 13 51.186 0.400 . . . . . . X 109 ALA CA . 34460 1 492 . 1 . 1 109 109 ALA CB C 13 19.260 0.400 . . . . . . X 109 ALA CB . 34460 1 493 . 1 . 1 109 109 ALA N N 15 121.883 0.400 . . . . . . X 109 ALA N . 34460 1 494 . 1 . 1 110 110 LEU H H 1 7.666 0.020 . . . . . . X 110 LEU H . 34460 1 495 . 1 . 1 110 110 LEU HA H 1 4.493 0.020 . . . . . . X 110 LEU HA . 34460 1 496 . 1 . 1 110 110 LEU C C 13 173.187 0.400 . . . . . . X 110 LEU C . 34460 1 497 . 1 . 1 110 110 LEU CB C 13 41.313 0.400 . . . . . . X 110 LEU CB . 34460 1 498 . 1 . 1 110 110 LEU N N 15 117.815 0.400 . . . . . . X 110 LEU N . 34460 1 499 . 1 . 1 111 111 ASP H H 1 8.608 0.020 . . . . . . X 111 ASP H . 34460 1 500 . 1 . 1 111 111 ASP HA H 1 4.506 0.020 . . . . . . X 111 ASP HA . 34460 1 501 . 1 . 1 111 111 ASP HB2 H 1 2.581 0.020 . . . . . . X 111 ASP HB2 . 34460 1 502 . 1 . 1 111 111 ASP HB3 H 1 2.581 0.020 . . . . . . X 111 ASP HB3 . 34460 1 503 . 1 . 1 111 111 ASP C C 13 173.773 0.400 . . . . . . X 111 ASP C . 34460 1 504 . 1 . 1 111 111 ASP CB C 13 40.652 0.400 . . . . . . X 111 ASP CB . 34460 1 505 . 1 . 1 111 111 ASP N N 15 120.952 0.400 . . . . . . X 111 ASP N . 34460 1 506 . 1 . 1 112 112 GLU H H 1 8.287 0.020 . . . . . . X 112 GLU H . 34460 1 507 . 1 . 1 112 112 GLU HA H 1 4.530 0.020 . . . . . . X 112 GLU HA . 34460 1 508 . 1 . 1 112 112 GLU C C 13 175.574 0.400 . . . . . . X 112 GLU C . 34460 1 509 . 1 . 1 112 112 GLU CA C 13 58.484 0.400 . . . . . . X 112 GLU CA . 34460 1 510 . 1 . 1 112 112 GLU CB C 13 27.806 0.400 . . . . . . X 112 GLU CB . 34460 1 511 . 1 . 1 112 112 GLU N N 15 120.075 0.400 . . . . . . X 112 GLU N . 34460 1 512 . 1 . 1 113 113 ARG H H 1 8.350 0.020 . . . . . . X 113 ARG H . 34460 1 513 . 1 . 1 113 113 ARG HA H 1 3.863 0.020 . . . . . . X 113 ARG HA . 34460 1 514 . 1 . 1 113 113 ARG C C 13 173.978 0.400 . . . . . . X 113 ARG C . 34460 1 515 . 1 . 1 113 113 ARG CB C 13 28.412 0.400 . . . . . . X 113 ARG CB . 34460 1 516 . 1 . 1 113 113 ARG N N 15 117.963 0.400 . . . . . . X 113 ARG N . 34460 1 517 . 1 . 1 114 114 ASP H H 1 7.128 0.020 . . . . . . X 114 ASP H . 34460 1 518 . 1 . 1 114 114 ASP HA H 1 3.722 0.020 . . . . . . X 114 ASP HA . 34460 1 519 . 1 . 1 114 114 ASP HB2 H 1 2.967 0.020 . . . . . . X 114 ASP HB2 . 34460 1 520 . 1 . 1 114 114 ASP HB3 H 1 2.967 0.020 . . . . . . X 114 ASP HB3 . 34460 1 521 . 1 . 1 114 114 ASP C C 13 174.769 0.400 . . . . . . X 114 ASP C . 34460 1 522 . 1 . 1 114 114 ASP CA C 13 55.096 0.400 . . . . . . X 114 ASP CA . 34460 1 523 . 1 . 1 114 114 ASP CB C 13 40.100 0.400 . . . . . . X 114 ASP CB . 34460 1 524 . 1 . 1 114 114 ASP N N 15 116.059 0.400 . . . . . . X 114 ASP N . 34460 1 525 . 1 . 1 115 115 ILE H H 1 6.942 0.020 . . . . . . X 115 ILE H . 34460 1 526 . 1 . 1 115 115 ILE HA H 1 2.731 0.020 . . . . . . X 115 ILE HA . 34460 1 527 . 1 . 1 115 115 ILE C C 13 174.593 0.400 . . . . . . X 115 ILE C . 34460 1 528 . 1 . 1 115 115 ILE CA C 13 62.835 0.400 . . . . . . X 115 ILE CA . 34460 1 529 . 1 . 1 115 115 ILE CB C 13 33.705 0.400 . . . . . . X 115 ILE CB . 34460 1 530 . 1 . 1 115 115 ILE N N 15 116.892 0.400 . . . . . . X 115 ILE N . 34460 1 531 . 1 . 1 116 116 TRP H H 1 7.367 0.020 . . . . . . X 116 TRP H . 34460 1 532 . 1 . 1 116 116 TRP HA H 1 4.326 0.020 . . . . . . X 116 TRP HA . 34460 1 533 . 1 . 1 116 116 TRP C C 13 175.588 0.400 . . . . . . X 116 TRP C . 34460 1 534 . 1 . 1 116 116 TRP CA C 13 57.823 0.400 . . . . . . X 116 TRP CA . 34460 1 535 . 1 . 1 116 116 TRP CB C 13 27.640 0.400 . . . . . . X 116 TRP CB . 34460 1 536 . 1 . 1 116 116 TRP N N 15 119.723 0.400 . . . . . . X 116 TRP N . 34460 1 537 . 1 . 1 117 117 ASP H H 1 8.670 0.020 . . . . . . X 117 ASP H . 34460 1 538 . 1 . 1 117 117 ASP HA H 1 4.146 0.020 . . . . . . X 117 ASP HA . 34460 1 539 . 1 . 1 117 117 ASP C C 13 176.525 0.400 . . . . . . X 117 ASP C . 34460 1 540 . 1 . 1 117 117 ASP CA C 13 56.253 0.400 . . . . . . X 117 ASP CA . 34460 1 541 . 1 . 1 117 117 ASP CB C 13 37.730 0.400 . . . . . . X 117 ASP CB . 34460 1 542 . 1 . 1 117 117 ASP N N 15 120.483 0.400 . . . . . . X 117 ASP N . 34460 1 543 . 1 . 1 118 118 LEU H H 1 7.514 0.020 . . . . . . X 118 LEU H . 34460 1 544 . 1 . 1 118 118 LEU HA H 1 3.387 0.020 . . . . . . X 118 LEU HA . 34460 1 545 . 1 . 1 118 118 LEU C C 13 175.911 0.400 . . . . . . X 118 LEU C . 34460 1 546 . 1 . 1 118 118 LEU CA C 13 56.584 0.400 . . . . . . X 118 LEU CA . 34460 1 547 . 1 . 1 118 118 LEU CB C 13 40.321 0.400 . . . . . . X 118 LEU CB . 34460 1 548 . 1 . 1 118 118 LEU N N 15 120.609 0.400 . . . . . . X 118 LEU N . 34460 1 549 . 1 . 1 119 119 VAL H H 1 7.798 0.020 . . . . . . X 119 VAL H . 34460 1 550 . 1 . 1 119 119 VAL HA H 1 2.757 0.020 . . . . . . X 119 VAL HA . 34460 1 551 . 1 . 1 119 119 VAL C C 13 173.890 0.400 . . . . . . X 119 VAL C . 34460 1 552 . 1 . 1 119 119 VAL CA C 13 66.030 0.400 . . . . . . X 119 VAL CA . 34460 1 553 . 1 . 1 119 119 VAL CB C 13 29.129 0.400 . . . . . . X 119 VAL CB . 34460 1 554 . 1 . 1 119 119 VAL N N 15 121.047 0.400 . . . . . . X 119 VAL N . 34460 1 555 . 1 . 1 120 120 ASN H H 1 8.582 0.020 . . . . . . X 120 ASN H . 34460 1 556 . 1 . 1 120 120 ASN HA H 1 4.069 0.020 . . . . . . X 120 ASN HA . 34460 1 557 . 1 . 1 120 120 ASN C C 13 175.779 0.400 . . . . . . X 120 ASN C . 34460 1 558 . 1 . 1 120 120 ASN CA C 13 53.995 0.400 . . . . . . X 120 ASN CA . 34460 1 559 . 1 . 1 120 120 ASN CB C 13 34.587 0.400 . . . . . . X 120 ASN CB . 34460 1 560 . 1 . 1 120 120 ASN N N 15 119.435 0.400 . . . . . . X 120 ASN N . 34460 1 561 . 1 . 1 121 121 PHE H H 1 8.500 0.020 . . . . . . X 121 PHE H . 34460 1 562 . 1 . 1 121 121 PHE HA H 1 3.992 0.020 . . . . . . X 121 PHE HA . 34460 1 563 . 1 . 1 121 121 PHE C C 13 173.173 0.400 . . . . . . X 121 PHE C . 34460 1 564 . 1 . 1 121 121 PHE CA C 13 60.192 0.400 . . . . . . X 121 PHE CA . 34460 1 565 . 1 . 1 121 121 PHE CB C 13 37.895 0.400 . . . . . . X 121 PHE CB . 34460 1 566 . 1 . 1 121 121 PHE N N 15 122.130 0.400 . . . . . . X 121 PHE N . 34460 1 567 . 1 . 1 122 122 MET H H 1 8.359 0.020 . . . . . . X 122 MET H . 34460 1 568 . 1 . 1 122 122 MET HA H 1 3.207 0.020 . . . . . . X 122 MET HA . 34460 1 569 . 1 . 1 122 122 MET C C 13 175.222 0.400 . . . . . . X 122 MET C . 34460 1 570 . 1 . 1 122 122 MET CA C 13 58.511 0.400 . . . . . . X 122 MET CA . 34460 1 571 . 1 . 1 122 122 MET CB C 13 32.437 0.400 . . . . . . X 122 MET CB . 34460 1 572 . 1 . 1 122 122 MET N N 15 118.811 0.400 . . . . . . X 122 MET N . 34460 1 573 . 1 . 1 123 123 ARG H H 1 8.426 0.020 . . . . . . X 123 ARG H . 34460 1 574 . 1 . 1 123 123 ARG HA H 1 3.696 0.020 . . . . . . X 123 ARG HA . 34460 1 575 . 1 . 1 123 123 ARG C C 13 175.837 0.400 . . . . . . X 123 ARG C . 34460 1 576 . 1 . 1 123 123 ARG CA C 13 56.969 0.400 . . . . . . X 123 ARG CA . 34460 1 577 . 1 . 1 123 123 ARG CB C 13 27.034 0.400 . . . . . . X 123 ARG CB . 34460 1 578 . 1 . 1 123 123 ARG N N 15 117.272 0.400 . . . . . . X 123 ARG N . 34460 1 579 . 1 . 1 124 124 ASP H H 1 7.703 0.020 . . . . . . X 124 ASP H . 34460 1 580 . 1 . 1 124 124 ASP HA H 1 4.056 0.020 . . . . . . X 124 ASP HA . 34460 1 581 . 1 . 1 124 124 ASP HB2 H 1 2.452 0.020 . . . . . . X 124 ASP HB2 . 34460 1 582 . 1 . 1 124 124 ASP HB3 H 1 2.452 0.020 . . . . . . X 124 ASP HB3 . 34460 1 583 . 1 . 1 124 124 ASP CA C 13 56.088 0.400 . . . . . . X 124 ASP CA . 34460 1 584 . 1 . 1 124 124 ASP CB C 13 42.306 0.400 . . . . . . X 124 ASP CB . 34460 1 585 . 1 . 1 124 124 ASP N N 15 119.237 0.400 . . . . . . X 124 ASP N . 34460 1 586 . 1 . 1 125 125 ARG H H 1 7.814 0.020 . . . . . . X 125 ARG H . 34460 1 587 . 1 . 1 125 125 ARG HA H 1 3.902 0.020 . . . . . . X 125 ARG HA . 34460 1 588 . 1 . 1 125 125 ARG C C 13 176.145 0.400 . . . . . . X 125 ARG C . 34460 1 589 . 1 . 1 125 125 ARG CA C 13 54.683 0.400 . . . . . . X 125 ARG CA . 34460 1 590 . 1 . 1 125 125 ARG CB C 13 28.357 0.400 . . . . . . X 125 ARG CB . 34460 1 591 . 1 . 1 125 125 ARG N N 15 115.932 0.400 . . . . . . X 125 ARG N . 34460 1 592 . 1 . 1 126 126 ALA H H 1 8.174 0.020 . . . . . . X 126 ALA H . 34460 1 593 . 1 . 1 126 126 ALA HA H 1 4.262 0.020 . . . . . . X 126 ALA HA . 34460 1 594 . 1 . 1 126 126 ALA C C 13 175.954 0.400 . . . . . . X 126 ALA C . 34460 1 595 . 1 . 1 126 126 ALA CA C 13 52.452 0.400 . . . . . . X 126 ALA CA . 34460 1 596 . 1 . 1 126 126 ALA CB C 13 17.055 0.400 . . . . . . X 126 ALA CB . 34460 1 597 . 1 . 1 126 126 ALA N N 15 121.025 0.400 . . . . . . X 126 ALA N . 34460 1 598 . 1 . 1 127 127 GLN H H 1 7.853 0.020 . . . . . . X 127 GLN H . 34460 1 599 . 1 . 1 127 127 GLN HA H 1 4.210 0.020 . . . . . . X 127 GLN HA . 34460 1 600 . 1 . 1 127 127 GLN C C 13 174.886 0.400 . . . . . . X 127 GLN C . 34460 1 601 . 1 . 1 127 127 GLN CA C 13 55.620 0.400 . . . . . . X 127 GLN CA . 34460 1 602 . 1 . 1 127 127 GLN CB C 13 27.420 0.400 . . . . . . X 127 GLN CB . 34460 1 603 . 1 . 1 127 127 GLN N N 15 117.001 0.400 . . . . . . X 127 GLN N . 34460 1 604 . 1 . 1 128 128 GLY H H 1 8.082 0.020 . . . . . . X 128 GLY H . 34460 1 605 . 1 . 1 128 128 GLY HA2 H 1 3.902 0.020 . . . . . . X 128 GLY HA2 . 34460 1 606 . 1 . 1 128 128 GLY HA3 H 1 3.902 0.020 . . . . . . X 128 GLY HA3 . 34460 1 607 . 1 . 1 128 128 GLY C C 13 172.236 0.400 . . . . . . X 128 GLY C . 34460 1 608 . 1 . 1 128 128 GLY CA C 13 44.383 0.400 . . . . . . X 128 GLY CA . 34460 1 609 . 1 . 1 128 128 GLY N N 15 108.002 0.400 . . . . . . X 128 GLY N . 34460 1 610 . 1 . 1 129 129 ALA H H 1 7.861 0.020 . . . . . . X 129 ALA H . 34460 1 611 . 1 . 1 129 129 ALA HA H 1 4.288 0.020 . . . . . . X 129 ALA HA . 34460 1 612 . 1 . 1 129 129 ALA HB1 H 1 1.436 0.020 . . . . . . X 129 ALA HB1 . 34460 1 613 . 1 . 1 129 129 ALA HB2 H 1 1.436 0.020 . . . . . . X 129 ALA HB2 . 34460 1 614 . 1 . 1 129 129 ALA HB3 H 1 1.436 0.020 . . . . . . X 129 ALA HB3 . 34460 1 615 . 1 . 1 129 129 ALA C C 13 175.588 0.400 . . . . . . X 129 ALA C . 34460 1 616 . 1 . 1 129 129 ALA CA C 13 51.516 0.400 . . . . . . X 129 ALA CA . 34460 1 617 . 1 . 1 129 129 ALA CB C 13 17.496 0.400 . . . . . . X 129 ALA CB . 34460 1 618 . 1 . 1 129 129 ALA N N 15 123.371 0.400 . . . . . . X 129 ALA N . 34460 1 619 . 1 . 1 130 130 ALA H H 1 7.937 0.020 . . . . . . X 130 ALA H . 34460 1 620 . 1 . 1 130 130 ALA HA H 1 4.197 0.020 . . . . . . X 130 ALA HA . 34460 1 621 . 1 . 1 130 130 ALA HB1 H 1 1.398 0.020 . . . . . . X 130 ALA HB1 . 34460 1 622 . 1 . 1 130 130 ALA HB2 H 1 1.398 0.020 . . . . . . X 130 ALA HB2 . 34460 1 623 . 1 . 1 130 130 ALA HB3 H 1 1.398 0.020 . . . . . . X 130 ALA HB3 . 34460 1 624 . 1 . 1 130 130 ALA C C 13 175.666 0.400 . . . . . . X 130 ALA C . 34460 1 625 . 1 . 1 130 130 ALA CA C 13 51.268 0.400 . . . . . . X 130 ALA CA . 34460 1 626 . 1 . 1 130 130 ALA CB C 13 17.055 0.400 . . . . . . X 130 ALA CB . 34460 1 627 . 1 . 1 130 130 ALA N N 15 121.718 0.400 . . . . . . X 130 ALA N . 34460 1 628 . 1 . 1 131 131 LEU H H 1 7.945 0.020 . . . . . . X 131 LEU H . 34460 1 629 . 1 . 1 131 131 LEU HA H 1 4.262 0.020 . . . . . . X 131 LEU HA . 34460 1 630 . 1 . 1 131 131 LEU C C 13 174.783 0.400 . . . . . . X 131 LEU C . 34460 1 631 . 1 . 1 131 131 LEU CA C 13 53.609 0.400 . . . . . . X 131 LEU CA . 34460 1 632 . 1 . 1 131 131 LEU CB C 13 40.486 0.400 . . . . . . X 131 LEU CB . 34460 1 633 . 1 . 1 131 131 LEU N N 15 120.063 0.400 . . . . . . X 131 LEU N . 34460 1 634 . 1 . 1 132 132 ALA H H 1 8.031 0.020 . . . . . . X 132 ALA H . 34460 1 635 . 1 . 1 132 132 ALA HA H 1 4.288 0.020 . . . . . . X 132 ALA HA . 34460 1 636 . 1 . 1 132 132 ALA HB1 H 1 1.398 0.020 . . . . . . X 132 ALA HB1 . 34460 1 637 . 1 . 1 132 132 ALA HB2 H 1 1.398 0.020 . . . . . . X 132 ALA HB2 . 34460 1 638 . 1 . 1 132 132 ALA HB3 H 1 1.398 0.020 . . . . . . X 132 ALA HB3 . 34460 1 639 . 1 . 1 132 132 ALA C C 13 175.603 0.400 . . . . . . X 132 ALA C . 34460 1 640 . 1 . 1 132 132 ALA CA C 13 51.186 0.400 . . . . . . X 132 ALA CA . 34460 1 641 . 1 . 1 132 132 ALA CB C 13 17.441 0.400 . . . . . . X 132 ALA CB . 34460 1 642 . 1 . 1 132 132 ALA N N 15 123.929 0.400 . . . . . . X 132 ALA N . 34460 1 643 . 1 . 1 133 133 GLY H H 1 8.235 0.020 . . . . . . X 133 GLY H . 34460 1 644 . 1 . 1 133 133 GLY HA2 H 1 3.992 0.020 . . . . . . X 133 GLY HA2 . 34460 1 645 . 1 . 1 133 133 GLY HA3 H 1 3.992 0.020 . . . . . . X 133 GLY HA3 . 34460 1 646 . 1 . 1 133 133 GLY C C 13 171.665 0.400 . . . . . . X 133 GLY C . 34460 1 647 . 1 . 1 133 133 GLY CA C 13 43.694 0.400 . . . . . . X 133 GLY CA . 34460 1 648 . 1 . 1 133 133 GLY N N 15 107.705 0.400 . . . . . . X 133 GLY N . 34460 1 649 . 1 . 1 134 134 THR H H 1 7.979 0.020 . . . . . . X 134 THR H . 34460 1 650 . 1 . 1 134 134 THR HA H 1 4.416 0.020 . . . . . . X 134 THR HA . 34460 1 651 . 1 . 1 134 134 THR HG21 H 1 1.141 0.020 . . . . . . X 134 THR HG21 . 34460 1 652 . 1 . 1 134 134 THR HG22 H 1 1.141 0.020 . . . . . . X 134 THR HG22 . 34460 1 653 . 1 . 1 134 134 THR HG23 H 1 1.141 0.020 . . . . . . X 134 THR HG23 . 34460 1 654 . 1 . 1 134 134 THR C C 13 171.021 0.400 . . . . . . X 134 THR C . 34460 1 655 . 1 . 1 134 134 THR CA C 13 59.889 0.400 . . . . . . X 134 THR CA . 34460 1 656 . 1 . 1 134 134 THR CB C 13 68.218 0.400 . . . . . . X 134 THR CB . 34460 1 657 . 1 . 1 134 134 THR N N 15 112.737 0.400 . . . . . . X 134 THR N . 34460 1 658 . 1 . 1 135 135 ASN H H 1 8.091 0.020 . . . . . . X 135 ASN H . 34460 1 659 . 1 . 1 135 135 ASN HA H 1 4.480 0.020 . . . . . . X 135 ASN HA . 34460 1 660 . 1 . 1 135 135 ASN HB2 H 1 2.722 0.020 . . . . . . X 135 ASN HB2 . 34460 1 661 . 1 . 1 135 135 ASN HB3 H 1 2.722 0.020 . . . . . . X 135 ASN HB3 . 34460 1 662 . 1 . 1 135 135 ASN C C 13 176.555 0.400 . . . . . . X 135 ASN C . 34460 1 663 . 1 . 1 135 135 ASN CA C 13 53.224 0.400 . . . . . . X 135 ASN CA . 34460 1 664 . 1 . 1 135 135 ASN CB C 13 39.218 0.400 . . . . . . X 135 ASN CB . 34460 1 665 . 1 . 1 135 135 ASN N N 15 126.059 0.400 . . . . . . X 135 ASN N . 34460 1 666 . 1 . 1 142 142 ALA H H 1 8.162 0.020 . . . . . . X 142 ALA H . 34460 1 667 . 1 . 1 142 142 ALA HA H 1 4.197 0.020 . . . . . . X 142 ALA HA . 34460 1 668 . 1 . 1 142 142 ALA HB1 H 1 1.282 0.020 . . . . . . X 142 ALA HB1 . 34460 1 669 . 1 . 1 142 142 ALA HB2 H 1 1.282 0.020 . . . . . . X 142 ALA HB2 . 34460 1 670 . 1 . 1 142 142 ALA HB3 H 1 1.282 0.020 . . . . . . X 142 ALA HB3 . 34460 1 671 . 1 . 1 142 142 ALA C C 13 174.710 0.400 . . . . . . X 142 ALA C . 34460 1 672 . 1 . 1 142 142 ALA CA C 13 50.745 0.400 . . . . . . X 142 ALA CA . 34460 1 673 . 1 . 1 142 142 ALA CB C 13 17.386 0.400 . . . . . . X 142 ALA CB . 34460 1 674 . 1 . 1 142 142 ALA N N 15 124.880 0.400 . . . . . . X 142 ALA N . 34460 1 675 . 1 . 1 143 143 ALA H H 1 8.136 0.020 . . . . . . X 143 ALA H . 34460 1 676 . 1 . 1 143 143 ALA HA H 1 4.159 0.020 . . . . . . X 143 ALA HA . 34460 1 677 . 1 . 1 143 143 ALA HB1 H 1 1.333 0.020 . . . . . . X 143 ALA HB1 . 34460 1 678 . 1 . 1 143 143 ALA HB2 H 1 1.333 0.020 . . . . . . X 143 ALA HB2 . 34460 1 679 . 1 . 1 143 143 ALA HB3 H 1 1.333 0.020 . . . . . . X 143 ALA HB3 . 34460 1 680 . 1 . 1 143 143 ALA C C 13 175.588 0.400 . . . . . . X 143 ALA C . 34460 1 681 . 1 . 1 143 143 ALA CA C 13 50.993 0.400 . . . . . . X 143 ALA CA . 34460 1 682 . 1 . 1 143 143 ALA CB C 13 17.717 0.400 . . . . . . X 143 ALA CB . 34460 1 683 . 1 . 1 143 143 ALA N N 15 122.994 0.400 . . . . . . X 143 ALA N . 34460 1 684 . 1 . 1 144 144 GLY H H 1 8.206 0.020 . . . . . . X 144 GLY H . 34460 1 685 . 1 . 1 144 144 GLY HA2 H 1 3.902 0.020 . . . . . . X 144 GLY HA2 . 34460 1 686 . 1 . 1 144 144 GLY HA3 H 1 3.902 0.020 . . . . . . X 144 GLY HA3 . 34460 1 687 . 1 . 1 144 144 GLY C C 13 171.138 0.400 . . . . . . X 144 GLY C . 34460 1 688 . 1 . 1 144 144 GLY CA C 13 43.529 0.400 . . . . . . X 144 GLY CA . 34460 1 689 . 1 . 1 144 144 GLY N N 15 107.549 0.400 . . . . . . X 144 GLY N . 34460 1 690 . 1 . 1 145 145 ASP H H 1 8.100 0.020 . . . . . . X 145 ASP H . 34460 1 691 . 1 . 1 145 145 ASP HA H 1 3.979 0.020 . . . . . . X 145 ASP HA . 34460 1 692 . 1 . 1 145 145 ASP C C 13 173.348 0.400 . . . . . . X 145 ASP C . 34460 1 693 . 1 . 1 145 145 ASP CA C 13 52.480 0.400 . . . . . . X 145 ASP CA . 34460 1 694 . 1 . 1 145 145 ASP CB C 13 39.439 0.400 . . . . . . X 145 ASP CB . 34460 1 695 . 1 . 1 145 145 ASP N N 15 120.051 0.400 . . . . . . X 145 ASP N . 34460 1 696 . 1 . 1 146 146 HIS H H 1 7.991 0.020 . . . . . . X 146 HIS H . 34460 1 697 . 1 . 1 146 146 HIS C C 13 174.860 0.400 . . . . . . X 146 HIS C . 34460 1 698 . 1 . 1 146 146 HIS CA C 13 51.010 0.400 . . . . . . X 146 HIS CA . 34460 1 699 . 1 . 1 146 146 HIS N N 15 123.925 0.400 . . . . . . X 146 HIS N . 34460 1 stop_ save_