################################### # 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 30662 _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 '3D CBCA(CO)NH' . . . 30662 1 2 '3D HNCACB' . . . 30662 1 3 '3D HNCO' . . . 30662 1 4 '3D HBHA(CBCACO)NH' . . . 30662 1 5 '3D CBCA(CO)NH' . . . 30662 1 6 '3D HBHA(CBCACO)NH' . . . 30662 1 7 '3D HNCO' . . . 30662 1 8 '3D HNCACB' . . . 30662 1 9 'HSQC IPAP' . . . 30662 1 10 'HSQC IPAP' . . . 30662 1 11 'HSQC IPAP' . . . 30662 1 12 'HSQC IPAP' . . . 30662 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 2 2 GLN HA H 1 4.298 . . . . . . . A 12 GLN HA . 30662 1 2 . 1 . 1 2 2 GLN C C 13 175.509 . . . . . . . A 12 GLN C . 30662 1 3 . 1 . 1 2 2 GLN CA C 13 55.877 . . . . . . . A 12 GLN CA . 30662 1 4 . 1 . 1 2 2 GLN CB C 13 29.576 . . . . . . . A 12 GLN CB . 30662 1 5 . 1 . 1 3 3 LYS H H 1 8.592 . . . . . . . A 13 LYS H . 30662 1 6 . 1 . 1 3 3 LYS HA H 1 4.271 . . . . . . . A 13 LYS HA . 30662 1 7 . 1 . 1 3 3 LYS C C 13 176.515 . . . . . . . A 13 LYS C . 30662 1 8 . 1 . 1 3 3 LYS CA C 13 56.501 . . . . . . . A 13 LYS CA . 30662 1 9 . 1 . 1 3 3 LYS CB C 13 33.186 . . . . . . . A 13 LYS CB . 30662 1 10 . 1 . 1 3 3 LYS N N 15 124.101 . . . . . . . A 13 LYS N . 30662 1 11 . 1 . 1 4 4 THR H H 1 8.215 . . . . . . . A 14 THR H . 30662 1 12 . 1 . 1 4 4 THR HA H 1 4.224 . . . . . . . A 14 THR HA . 30662 1 13 . 1 . 1 4 4 THR C C 13 174.035 . . . . . . . A 14 THR C . 30662 1 14 . 1 . 1 4 4 THR CA C 13 61.689 . . . . . . . A 14 THR CA . 30662 1 15 . 1 . 1 4 4 THR CB C 13 69.968 . . . . . . . A 14 THR CB . 30662 1 16 . 1 . 1 4 4 THR N N 15 116.260 . . . . . . . A 14 THR N . 30662 1 17 . 1 . 1 5 5 ALA H H 1 8.414 . . . . . . . A 15 ALA H . 30662 1 18 . 1 . 1 5 5 ALA HA H 1 4.311 . . . . . . . A 15 ALA HA . 30662 1 19 . 1 . 1 5 5 ALA C C 13 177.620 . . . . . . . A 15 ALA C . 30662 1 20 . 1 . 1 5 5 ALA CA C 13 52.545 . . . . . . . A 15 ALA CA . 30662 1 21 . 1 . 1 5 5 ALA CB C 13 19.396 . . . . . . . A 15 ALA CB . 30662 1 22 . 1 . 1 5 5 ALA N N 15 126.744 . . . . . . . A 15 ALA N . 30662 1 23 . 1 . 1 6 6 THR H H 1 8.216 . . . . . . . A 16 THR H . 30662 1 24 . 1 . 1 6 6 THR HA H 1 4.226 . . . . . . . A 16 THR HA . 30662 1 25 . 1 . 1 6 6 THR C C 13 174.316 . . . . . . . A 16 THR C . 30662 1 26 . 1 . 1 6 6 THR CA C 13 61.526 . . . . . . . A 16 THR CA . 30662 1 27 . 1 . 1 6 6 THR CB C 13 69.944 . . . . . . . A 16 THR CB . 30662 1 28 . 1 . 1 6 6 THR N N 15 114.507 . . . . . . . A 16 THR N . 30662 1 29 . 1 . 1 7 7 VAL H H 1 8.141 . . . . . . . A 17 VAL H . 30662 1 30 . 1 . 1 7 7 VAL HA H 1 4.041 . . . . . . . A 17 VAL HA . 30662 1 31 . 1 . 1 7 7 VAL C C 13 175.372 . . . . . . . A 17 VAL C . 30662 1 32 . 1 . 1 7 7 VAL CA C 13 62.105 . . . . . . . A 17 VAL CA . 30662 1 33 . 1 . 1 7 7 VAL CB C 13 32.897 . . . . . . . A 17 VAL CB . 30662 1 34 . 1 . 1 7 7 VAL N N 15 122.647 . . . . . . . A 17 VAL N . 30662 1 35 . 1 . 1 8 8 ALA H H 1 8.434 . . . . . . . A 18 ALA H . 30662 1 36 . 1 . 1 8 8 ALA C C 13 176.843 . . . . . . . A 18 ALA C . 30662 1 37 . 1 . 1 8 8 ALA CA C 13 52.550 . . . . . . . A 18 ALA CA . 30662 1 38 . 1 . 1 8 8 ALA CB C 13 19.032 . . . . . . . A 18 ALA CB . 30662 1 39 . 1 . 1 8 8 ALA N N 15 128.712 . . . . . . . A 18 ALA N . 30662 1 40 . 1 . 1 9 9 ARG H H 1 8.133 . . . . . . . A 19 ARG H . 30662 1 41 . 1 . 1 9 9 ARG HA H 1 4.356 . . . . . . . A 19 ARG HA . 30662 1 42 . 1 . 1 9 9 ARG C C 13 174.643 . . . . . . . A 19 ARG C . 30662 1 43 . 1 . 1 9 9 ARG CA C 13 54.692 . . . . . . . A 19 ARG CA . 30662 1 44 . 1 . 1 9 9 ARG CB C 13 32.233 . . . . . . . A 19 ARG CB . 30662 1 45 . 1 . 1 9 9 ARG N N 15 120.325 . . . . . . . A 19 ARG N . 30662 1 46 . 1 . 1 10 10 ASP H H 1 8.338 . . . . . . . A 20 ASP H . 30662 1 47 . 1 . 1 10 10 ASP HA H 1 4.972 . . . . . . . A 20 ASP HA . 30662 1 48 . 1 . 1 10 10 ASP C C 13 175.606 . . . . . . . A 20 ASP C . 30662 1 49 . 1 . 1 10 10 ASP CA C 13 54.568 . . . . . . . A 20 ASP CA . 30662 1 50 . 1 . 1 10 10 ASP CB C 13 41.775 . . . . . . . A 20 ASP CB . 30662 1 51 . 1 . 1 10 10 ASP N N 15 121.047 . . . . . . . A 20 ASP N . 30662 1 52 . 1 . 1 11 11 ARG H H 1 8.658 . . . . . . . A 21 ARG H . 30662 1 53 . 1 . 1 11 11 ARG HA H 1 5.094 . . . . . . . A 21 ARG HA . 30662 1 54 . 1 . 1 11 11 ARG C C 13 174.141 . . . . . . . A 21 ARG C . 30662 1 55 . 1 . 1 11 11 ARG CA C 13 55.321 . . . . . . . A 21 ARG CA . 30662 1 56 . 1 . 1 11 11 ARG CB C 13 34.126 . . . . . . . A 21 ARG CB . 30662 1 57 . 1 . 1 11 11 ARG N N 15 119.940 . . . . . . . A 21 ARG N . 30662 1 58 . 1 . 1 12 12 LEU H H 1 8.744 . . . . . . . A 22 LEU H . 30662 1 59 . 1 . 1 12 12 LEU HA H 1 5.347 . . . . . . . A 22 LEU HA . 30662 1 60 . 1 . 1 12 12 LEU C C 13 174.879 . . . . . . . A 22 LEU C . 30662 1 61 . 1 . 1 12 12 LEU CA C 13 53.468 . . . . . . . A 22 LEU CA . 30662 1 62 . 1 . 1 12 12 LEU CB C 13 47.055 . . . . . . . A 22 LEU CB . 30662 1 63 . 1 . 1 12 12 LEU N N 15 120.544 . . . . . . . A 22 LEU N . 30662 1 64 . 1 . 1 13 13 GLN H H 1 9.369 . . . . . . . A 23 GLN H . 30662 1 65 . 1 . 1 13 13 GLN HA H 1 5.182 . . . . . . . A 23 GLN HA . 30662 1 66 . 1 . 1 13 13 GLN C C 13 173.925 . . . . . . . A 23 GLN C . 30662 1 67 . 1 . 1 13 13 GLN CA C 13 54.594 . . . . . . . A 23 GLN CA . 30662 1 68 . 1 . 1 13 13 GLN CB C 13 32.894 . . . . . . . A 23 GLN CB . 30662 1 69 . 1 . 1 13 13 GLN N N 15 126.312 . . . . . . . A 23 GLN N . 30662 1 70 . 1 . 1 14 14 ILE H H 1 9.151 . . . . . . . A 24 ILE H . 30662 1 71 . 1 . 1 14 14 ILE HA H 1 5.196 . . . . . . . A 24 ILE HA . 30662 1 72 . 1 . 1 14 14 ILE C C 13 173.988 . . . . . . . A 24 ILE C . 30662 1 73 . 1 . 1 14 14 ILE CA C 13 59.844 . . . . . . . A 24 ILE CA . 30662 1 74 . 1 . 1 14 14 ILE CB C 13 41.155 . . . . . . . A 24 ILE CB . 30662 1 75 . 1 . 1 14 14 ILE N N 15 125.888 . . . . . . . A 24 ILE N . 30662 1 76 . 1 . 1 15 15 ILE H H 1 9.522 . . . . . . . A 25 ILE H . 30662 1 77 . 1 . 1 15 15 ILE HA H 1 4.907 . . . . . . . A 25 ILE HA . 30662 1 78 . 1 . 1 15 15 ILE C C 13 175.128 . . . . . . . A 25 ILE C . 30662 1 79 . 1 . 1 15 15 ILE CA C 13 59.802 . . . . . . . A 25 ILE CA . 30662 1 80 . 1 . 1 15 15 ILE CB C 13 41.208 . . . . . . . A 25 ILE CB . 30662 1 81 . 1 . 1 15 15 ILE N N 15 128.345 . . . . . . . A 25 ILE N . 30662 1 82 . 1 . 1 16 16 ILE H H 1 9.467 . . . . . . . A 26 ILE H . 30662 1 83 . 1 . 1 16 16 ILE HA H 1 4.768 . . . . . . . A 26 ILE HA . 30662 1 84 . 1 . 1 16 16 ILE C C 13 173.122 . . . . . . . A 26 ILE C . 30662 1 85 . 1 . 1 16 16 ILE CA C 13 60.383 . . . . . . . A 26 ILE CA . 30662 1 86 . 1 . 1 16 16 ILE CB C 13 40.017 . . . . . . . A 26 ILE CB . 30662 1 87 . 1 . 1 16 16 ILE N N 15 126.259 . . . . . . . A 26 ILE N . 30662 1 88 . 1 . 1 17 17 ALA H H 1 9.400 . . . . . . . A 27 ALA H . 30662 1 89 . 1 . 1 17 17 ALA HA H 1 5.576 . . . . . . . A 27 ALA HA . 30662 1 90 . 1 . 1 17 17 ALA C C 13 175.720 . . . . . . . A 27 ALA C . 30662 1 91 . 1 . 1 17 17 ALA CA C 13 50.025 . . . . . . . A 27 ALA CA . 30662 1 92 . 1 . 1 17 17 ALA CB C 13 22.757 . . . . . . . A 27 ALA CB . 30662 1 93 . 1 . 1 17 17 ALA N N 15 129.150 . . . . . . . A 27 ALA N . 30662 1 94 . 1 . 1 18 18 GLN H H 1 9.154 . . . . . . . A 28 GLN H . 30662 1 95 . 1 . 1 18 18 GLN C C 13 174.122 . . . . . . . A 28 GLN C . 30662 1 96 . 1 . 1 18 18 GLN CA C 13 54.595 . . . . . . . A 28 GLN CA . 30662 1 97 . 1 . 1 18 18 GLN CB C 13 33.419 . . . . . . . A 28 GLN CB . 30662 1 98 . 1 . 1 18 18 GLN N N 15 122.723 . . . . . . . A 28 GLN N . 30662 1 99 . 1 . 1 19 19 GLU H H 1 8.943 . . . . . . . A 29 GLU H . 30662 1 100 . 1 . 1 19 19 GLU C C 13 174.785 . . . . . . . A 29 GLU C . 30662 1 101 . 1 . 1 19 19 GLU CA C 13 55.559 . . . . . . . A 29 GLU CA . 30662 1 102 . 1 . 1 19 19 GLU CB C 13 32.392 . . . . . . . A 29 GLU CB . 30662 1 103 . 1 . 1 19 19 GLU N N 15 129.761 . . . . . . . A 29 GLU N . 30662 1 104 . 1 . 1 20 20 ARG H H 1 8.479 . . . . . . . A 30 ARG H . 30662 1 105 . 1 . 1 20 20 ARG HA H 1 4.819 . . . . . . . A 30 ARG HA . 30662 1 106 . 1 . 1 20 20 ARG C C 13 175.538 . . . . . . . A 30 ARG C . 30662 1 107 . 1 . 1 20 20 ARG CA C 13 54.436 . . . . . . . A 30 ARG CA . 30662 1 108 . 1 . 1 20 20 ARG CB C 13 32.855 . . . . . . . A 30 ARG CB . 30662 1 109 . 1 . 1 20 20 ARG N N 15 124.311 . . . . . . . A 30 ARG N . 30662 1 110 . 1 . 1 21 21 ALA H H 1 8.764 . . . . . . . A 31 ALA H . 30662 1 111 . 1 . 1 21 21 ALA HA H 1 4.144 . . . . . . . A 31 ALA HA . 30662 1 112 . 1 . 1 21 21 ALA C C 13 178.746 . . . . . . . A 31 ALA C . 30662 1 113 . 1 . 1 21 21 ALA CA C 13 52.567 . . . . . . . A 31 ALA CA . 30662 1 114 . 1 . 1 21 21 ALA CB C 13 19.286 . . . . . . . A 31 ALA CB . 30662 1 115 . 1 . 1 21 21 ALA N N 15 127.076 . . . . . . . A 31 ALA N . 30662 1 116 . 1 . 1 22 22 GLN H H 1 8.776 . . . . . . . A 32 GLN H . 30662 1 117 . 1 . 1 22 22 GLN HA H 1 4.111 . . . . . . . A 32 GLN HA . 30662 1 118 . 1 . 1 22 22 GLN C C 13 176.510 . . . . . . . A 32 GLN C . 30662 1 119 . 1 . 1 22 22 GLN CA C 13 57.162 . . . . . . . A 32 GLN CA . 30662 1 120 . 1 . 1 22 22 GLN CB C 13 29.230 . . . . . . . A 32 GLN CB . 30662 1 121 . 1 . 1 22 22 GLN N N 15 121.120 . . . . . . . A 32 GLN N . 30662 1 122 . 1 . 1 23 23 GLU H H 1 8.697 . . . . . . . A 33 GLU H . 30662 1 123 . 1 . 1 23 23 GLU HA H 1 4.162 . . . . . . . A 33 GLU HA . 30662 1 124 . 1 . 1 23 23 GLU C C 13 176.893 . . . . . . . A 33 GLU C . 30662 1 125 . 1 . 1 23 23 GLU CA C 13 57.145 . . . . . . . A 33 GLU CA . 30662 1 126 . 1 . 1 23 23 GLU CB C 13 29.358 . . . . . . . A 33 GLU CB . 30662 1 127 . 1 . 1 23 23 GLU N N 15 119.139 . . . . . . . A 33 GLU N . 30662 1 128 . 1 . 1 24 24 GLY H H 1 7.999 . . . . . . . A 34 GLY H . 30662 1 129 . 1 . 1 24 24 GLY HA2 H 1 3.994 . . . . . . . A 34 GLY HA2 . 30662 1 130 . 1 . 1 24 24 GLY C C 13 174.318 . . . . . . . A 34 GLY C . 30662 1 131 . 1 . 1 24 24 GLY CA C 13 45.567 . . . . . . . A 34 GLY CA . 30662 1 132 . 1 . 1 24 24 GLY N N 15 108.148 . . . . . . . A 34 GLY N . 30662 1 133 . 1 . 1 25 25 GLN H H 1 8.350 . . . . . . . A 35 GLN H . 30662 1 134 . 1 . 1 25 25 GLN HA H 1 4.347 . . . . . . . A 35 GLN HA . 30662 1 135 . 1 . 1 25 25 GLN C C 13 175.865 . . . . . . . A 35 GLN C . 30662 1 136 . 1 . 1 25 25 GLN CA C 13 55.774 . . . . . . . A 35 GLN CA . 30662 1 137 . 1 . 1 25 25 GLN CB C 13 29.620 . . . . . . . A 35 GLN CB . 30662 1 138 . 1 . 1 25 25 GLN N N 15 117.186 . . . . . . . A 35 GLN N . 30662 1 139 . 1 . 1 26 26 THR H H 1 8.036 . . . . . . . A 36 THR H . 30662 1 140 . 1 . 1 26 26 THR CA C 13 60.698 . . . . . . . A 36 THR CA . 30662 1 141 . 1 . 1 26 26 THR CB C 13 69.784 . . . . . . . A 36 THR CB . 30662 1 142 . 1 . 1 26 26 THR N N 15 118.657 . . . . . . . A 36 THR N . 30662 1 143 . 1 . 1 27 27 PRO HA H 1 4.095 . . . . . . . A 37 PRO HA . 30662 1 144 . 1 . 1 27 27 PRO C C 13 173.469 . . . . . . . A 37 PRO C . 30662 1 145 . 1 . 1 27 27 PRO CA C 13 62.790 . . . . . . . A 37 PRO CA . 30662 1 146 . 1 . 1 27 27 PRO CB C 13 32.133 . . . . . . . A 37 PRO CB . 30662 1 147 . 1 . 1 28 28 ASP H H 1 7.952 . . . . . . . A 38 ASP H . 30662 1 148 . 1 . 1 28 28 ASP HA H 1 4.356 . . . . . . . A 38 ASP HA . 30662 1 149 . 1 . 1 28 28 ASP C C 13 177.555 . . . . . . . A 38 ASP C . 30662 1 150 . 1 . 1 28 28 ASP CA C 13 53.321 . . . . . . . A 38 ASP CA . 30662 1 151 . 1 . 1 28 28 ASP CB C 13 40.631 . . . . . . . A 38 ASP CB . 30662 1 152 . 1 . 1 28 28 ASP N N 15 116.903 . . . . . . . A 38 ASP N . 30662 1 153 . 1 . 1 29 29 TYR H H 1 9.754 . . . . . . . A 39 TYR H . 30662 1 154 . 1 . 1 29 29 TYR HA H 1 4.190 . . . . . . . A 39 TYR HA . 30662 1 155 . 1 . 1 29 29 TYR C C 13 176.686 . . . . . . . A 39 TYR C . 30662 1 156 . 1 . 1 29 29 TYR CA C 13 60.081 . . . . . . . A 39 TYR CA . 30662 1 157 . 1 . 1 29 29 TYR CB C 13 39.230 . . . . . . . A 39 TYR CB . 30662 1 158 . 1 . 1 29 29 TYR N N 15 126.370 . . . . . . . A 39 TYR N . 30662 1 159 . 1 . 1 30 30 LEU H H 1 8.569 . . . . . . . A 40 LEU H . 30662 1 160 . 1 . 1 30 30 LEU CA C 13 61.060 . . . . . . . A 40 LEU CA . 30662 1 161 . 1 . 1 30 30 LEU CB C 13 38.329 . . . . . . . A 40 LEU CB . 30662 1 162 . 1 . 1 30 30 LEU N N 15 121.934 . . . . . . . A 40 LEU N . 30662 1 163 . 1 . 1 31 31 PRO HA H 1 4.072 . . . . . . . A 41 PRO HA . 30662 1 164 . 1 . 1 31 31 PRO C C 13 179.952 . . . . . . . A 41 PRO C . 30662 1 165 . 1 . 1 31 31 PRO CA C 13 66.796 . . . . . . . A 41 PRO CA . 30662 1 166 . 1 . 1 31 31 PRO CB C 13 30.927 . . . . . . . A 41 PRO CB . 30662 1 167 . 1 . 1 32 32 THR H H 1 7.340 . . . . . . . A 42 THR H . 30662 1 168 . 1 . 1 32 32 THR HA H 1 4.008 . . . . . . . A 42 THR HA . 30662 1 169 . 1 . 1 32 32 THR C C 13 176.376 . . . . . . . A 42 THR C . 30662 1 170 . 1 . 1 32 32 THR CA C 13 66.180 . . . . . . . A 42 THR CA . 30662 1 171 . 1 . 1 32 32 THR CB C 13 68.829 . . . . . . . A 42 THR CB . 30662 1 172 . 1 . 1 32 32 THR N N 15 114.305 . . . . . . . A 42 THR N . 30662 1 173 . 1 . 1 33 33 LEU H H 1 8.429 . . . . . . . A 43 LEU H . 30662 1 174 . 1 . 1 33 33 LEU HA H 1 3.766 . . . . . . . A 43 LEU HA . 30662 1 175 . 1 . 1 33 33 LEU C C 13 177.885 . . . . . . . A 43 LEU C . 30662 1 176 . 1 . 1 33 33 LEU CA C 13 57.775 . . . . . . . A 43 LEU CA . 30662 1 177 . 1 . 1 33 33 LEU CB C 13 41.283 . . . . . . . A 43 LEU CB . 30662 1 178 . 1 . 1 33 33 LEU N N 15 121.457 . . . . . . . A 43 LEU N . 30662 1 179 . 1 . 1 34 34 ARG H H 1 8.936 . . . . . . . A 44 ARG H . 30662 1 180 . 1 . 1 34 34 ARG HA H 1 3.492 . . . . . . . A 44 ARG HA . 30662 1 181 . 1 . 1 34 34 ARG C C 13 177.047 . . . . . . . A 44 ARG C . 30662 1 182 . 1 . 1 34 34 ARG CA C 13 60.456 . . . . . . . A 44 ARG CA . 30662 1 183 . 1 . 1 34 34 ARG CB C 13 30.225 . . . . . . . A 44 ARG CB . 30662 1 184 . 1 . 1 34 34 ARG N N 15 120.162 . . . . . . . A 44 ARG N . 30662 1 185 . 1 . 1 35 35 LYS H H 1 7.275 . . . . . . . A 45 LYS H . 30662 1 186 . 1 . 1 35 35 LYS HA H 1 3.841 . . . . . . . A 45 LYS HA . 30662 1 187 . 1 . 1 35 35 LYS C C 13 179.208 . . . . . . . A 45 LYS C . 30662 1 188 . 1 . 1 35 35 LYS CA C 13 59.709 . . . . . . . A 45 LYS CA . 30662 1 189 . 1 . 1 35 35 LYS CB C 13 32.544 . . . . . . . A 45 LYS CB . 30662 1 190 . 1 . 1 35 35 LYS N N 15 117.171 . . . . . . . A 45 LYS N . 30662 1 191 . 1 . 1 36 36 GLU H H 1 7.923 . . . . . . . A 46 GLU H . 30662 1 192 . 1 . 1 36 36 GLU HA H 1 4.057 . . . . . . . A 46 GLU HA . 30662 1 193 . 1 . 1 36 36 GLU C C 13 180.607 . . . . . . . A 46 GLU C . 30662 1 194 . 1 . 1 36 36 GLU CA C 13 54.625 . . . . . . . A 46 GLU CA . 30662 1 195 . 1 . 1 36 36 GLU CB C 13 19.177 . . . . . . . A 46 GLU CB . 30662 1 196 . 1 . 1 36 36 GLU N N 15 120.411 . . . . . . . A 46 GLU N . 30662 1 197 . 1 . 1 37 37 LEU H H 1 8.759 . . . . . . . A 47 LEU H . 30662 1 198 . 1 . 1 37 37 LEU HA H 1 3.892 . . . . . . . A 47 LEU HA . 30662 1 199 . 1 . 1 37 37 LEU C C 13 178.807 . . . . . . . A 47 LEU C . 30662 1 200 . 1 . 1 37 37 LEU CA C 13 57.054 . . . . . . . A 47 LEU CA . 30662 1 201 . 1 . 1 37 37 LEU CB C 13 40.981 . . . . . . . A 47 LEU CB . 30662 1 202 . 1 . 1 37 37 LEU N N 15 118.111 . . . . . . . A 47 LEU N . 30662 1 203 . 1 . 1 38 38 MET H H 1 8.046 . . . . . . . A 48 MET H . 30662 1 204 . 1 . 1 38 38 MET HA H 1 4.098 . . . . . . . A 48 MET HA . 30662 1 205 . 1 . 1 38 38 MET C C 13 179.110 . . . . . . . A 48 MET C . 30662 1 206 . 1 . 1 38 38 MET CA C 13 58.329 . . . . . . . A 48 MET CA . 30662 1 207 . 1 . 1 38 38 MET CB C 13 30.790 . . . . . . . A 48 MET CB . 30662 1 208 . 1 . 1 38 38 MET N N 15 117.910 . . . . . . . A 48 MET N . 30662 1 209 . 1 . 1 39 39 GLU H H 1 7.527 . . . . . . . A 49 GLU H . 30662 1 210 . 1 . 1 39 39 GLU HA H 1 4.010 . . . . . . . A 49 GLU HA . 30662 1 211 . 1 . 1 39 39 GLU C C 13 179.079 . . . . . . . A 49 GLU C . 30662 1 212 . 1 . 1 39 39 GLU CA C 13 59.606 . . . . . . . A 49 GLU CA . 30662 1 213 . 1 . 1 39 39 GLU CB C 13 29.489 . . . . . . . A 49 GLU CB . 30662 1 214 . 1 . 1 39 39 GLU N N 15 119.598 . . . . . . . A 49 GLU N . 30662 1 215 . 1 . 1 40 40 VAL H H 1 7.928 . . . . . . . A 50 VAL H . 30662 1 216 . 1 . 1 40 40 VAL HA H 1 3.764 . . . . . . . A 50 VAL HA . 30662 1 217 . 1 . 1 40 40 VAL C C 13 178.104 . . . . . . . A 50 VAL C . 30662 1 218 . 1 . 1 40 40 VAL CA C 13 66.156 . . . . . . . A 50 VAL CA . 30662 1 219 . 1 . 1 40 40 VAL CB C 13 32.164 . . . . . . . A 50 VAL CB . 30662 1 220 . 1 . 1 40 40 VAL N N 15 119.274 . . . . . . . A 50 VAL N . 30662 1 221 . 1 . 1 41 41 LEU H H 1 8.685 . . . . . . . A 51 LEU H . 30662 1 222 . 1 . 1 41 41 LEU HA H 1 3.797 . . . . . . . A 51 LEU HA . 30662 1 223 . 1 . 1 41 41 LEU C C 13 178.886 . . . . . . . A 51 LEU C . 30662 1 224 . 1 . 1 41 41 LEU CA C 13 58.243 . . . . . . . A 51 LEU CA . 30662 1 225 . 1 . 1 41 41 LEU CB C 13 41.278 . . . . . . . A 51 LEU CB . 30662 1 226 . 1 . 1 41 41 LEU N N 15 119.558 . . . . . . . A 51 LEU N . 30662 1 227 . 1 . 1 42 42 SER H H 1 7.902 . . . . . . . A 52 SER H . 30662 1 228 . 1 . 1 42 42 SER HA H 1 4.278 . . . . . . . A 52 SER HA . 30662 1 229 . 1 . 1 42 42 SER C C 13 176.037 . . . . . . . A 52 SER C . 30662 1 230 . 1 . 1 42 42 SER CA C 13 61.430 . . . . . . . A 52 SER CA . 30662 1 231 . 1 . 1 42 42 SER CB C 13 63.084 . . . . . . . A 52 SER CB . 30662 1 232 . 1 . 1 42 42 SER N N 15 113.275 . . . . . . . A 52 SER N . 30662 1 233 . 1 . 1 43 43 LYS H H 1 7.688 . . . . . . . A 53 LYS H . 30662 1 234 . 1 . 1 43 43 LYS HA H 1 3.919 . . . . . . . A 53 LYS HA . 30662 1 235 . 1 . 1 43 43 LYS C C 13 178.034 . . . . . . . A 53 LYS C . 30662 1 236 . 1 . 1 43 43 LYS CA C 13 58.558 . . . . . . . A 53 LYS CA . 30662 1 237 . 1 . 1 43 43 LYS CB C 13 33.328 . . . . . . . A 53 LYS CB . 30662 1 238 . 1 . 1 43 43 LYS N N 15 118.773 . . . . . . . A 53 LYS N . 30662 1 239 . 1 . 1 44 44 TYR H H 1 8.076 . . . . . . . A 54 TYR H . 30662 1 240 . 1 . 1 44 44 TYR HA H 1 4.565 . . . . . . . A 54 TYR HA . 30662 1 241 . 1 . 1 44 44 TYR C C 13 175.928 . . . . . . . A 54 TYR C . 30662 1 242 . 1 . 1 44 44 TYR CA C 13 59.791 . . . . . . . A 54 TYR CA . 30662 1 243 . 1 . 1 44 44 TYR CB C 13 39.823 . . . . . . . A 54 TYR CB . 30662 1 244 . 1 . 1 44 44 TYR N N 15 113.270 . . . . . . . A 54 TYR N . 30662 1 245 . 1 . 1 45 45 VAL H H 1 7.841 . . . . . . . A 55 VAL H . 30662 1 246 . 1 . 1 45 45 VAL HA H 1 4.053 . . . . . . . A 55 VAL HA . 30662 1 247 . 1 . 1 45 45 VAL C C 13 174.648 . . . . . . . A 55 VAL C . 30662 1 248 . 1 . 1 45 45 VAL CA C 13 61.533 . . . . . . . A 55 VAL CA . 30662 1 249 . 1 . 1 45 45 VAL CB C 13 32.283 . . . . . . . A 55 VAL CB . 30662 1 250 . 1 . 1 45 45 VAL N N 15 117.463 . . . . . . . A 55 VAL N . 30662 1 251 . 1 . 1 46 46 ASN H H 1 7.769 . . . . . . . A 56 ASN H . 30662 1 252 . 1 . 1 46 46 ASN HA H 1 4.508 . . . . . . . A 56 ASN HA . 30662 1 253 . 1 . 1 46 46 ASN C C 13 174.188 . . . . . . . A 56 ASN C . 30662 1 254 . 1 . 1 46 46 ASN CA C 13 53.930 . . . . . . . A 56 ASN CA . 30662 1 255 . 1 . 1 46 46 ASN CB C 13 37.235 . . . . . . . A 56 ASN CB . 30662 1 256 . 1 . 1 46 46 ASN N N 15 117.897 . . . . . . . A 56 ASN N . 30662 1 257 . 1 . 1 47 47 VAL H H 1 7.336 . . . . . . . A 57 VAL H . 30662 1 258 . 1 . 1 47 47 VAL HA H 1 4.344 . . . . . . . A 57 VAL HA . 30662 1 259 . 1 . 1 47 47 VAL C C 13 174.712 . . . . . . . A 57 VAL C . 30662 1 260 . 1 . 1 47 47 VAL CA C 13 59.977 . . . . . . . A 57 VAL CA . 30662 1 261 . 1 . 1 47 47 VAL CB C 13 34.127 . . . . . . . A 57 VAL CB . 30662 1 262 . 1 . 1 47 47 VAL N N 15 114.858 . . . . . . . A 57 VAL N . 30662 1 263 . 1 . 1 48 48 SER H H 1 8.532 . . . . . . . A 58 SER H . 30662 1 264 . 1 . 1 48 48 SER HA H 1 4.729 . . . . . . . A 58 SER HA . 30662 1 265 . 1 . 1 48 48 SER C C 13 172.091 . . . . . . . A 58 SER C . 30662 1 266 . 1 . 1 48 48 SER CA C 13 57.378 . . . . . . . A 58 SER CA . 30662 1 267 . 1 . 1 48 48 SER CB C 13 64.383 . . . . . . . A 58 SER CB . 30662 1 268 . 1 . 1 48 48 SER N N 15 119.254 . . . . . . . A 58 SER N . 30662 1 269 . 1 . 1 49 49 LEU H H 1 8.598 . . . . . . . A 59 LEU H . 30662 1 270 . 1 . 1 49 49 LEU HA H 1 3.902 . . . . . . . A 59 LEU HA . 30662 1 271 . 1 . 1 49 49 LEU C C 13 178.441 . . . . . . . A 59 LEU C . 30662 1 272 . 1 . 1 49 49 LEU CA C 13 57.803 . . . . . . . A 59 LEU CA . 30662 1 273 . 1 . 1 49 49 LEU CB C 13 41.326 . . . . . . . A 59 LEU CB . 30662 1 274 . 1 . 1 49 49 LEU N N 15 123.382 . . . . . . . A 59 LEU N . 30662 1 275 . 1 . 1 50 50 ASP H H 1 8.251 . . . . . . . A 60 ASP H . 30662 1 276 . 1 . 1 50 50 ASP HA H 1 4.339 . . . . . . . A 60 ASP HA . 30662 1 277 . 1 . 1 50 50 ASP C C 13 176.633 . . . . . . . A 60 ASP C . 30662 1 278 . 1 . 1 50 50 ASP CA C 13 55.828 . . . . . . . A 60 ASP CA . 30662 1 279 . 1 . 1 50 50 ASP CB C 13 39.968 . . . . . . . A 60 ASP CB . 30662 1 280 . 1 . 1 50 50 ASP N N 15 115.739 . . . . . . . A 60 ASP N . 30662 1 281 . 1 . 1 51 51 ASN H H 1 7.952 . . . . . . . A 61 ASN H . 30662 1 282 . 1 . 1 51 51 ASN HA H 1 4.782 . . . . . . . A 61 ASN HA . 30662 1 283 . 1 . 1 51 51 ASN C C 13 173.569 . . . . . . . A 61 ASN C . 30662 1 284 . 1 . 1 51 51 ASN CA C 13 53.382 . . . . . . . A 61 ASN CA . 30662 1 285 . 1 . 1 51 51 ASN CB C 13 39.872 . . . . . . . A 61 ASN CB . 30662 1 286 . 1 . 1 51 51 ASN N N 15 116.650 . . . . . . . A 61 ASN N . 30662 1 287 . 1 . 1 52 52 ILE H H 1 7.446 . . . . . . . A 62 ILE H . 30662 1 288 . 1 . 1 52 52 ILE HA H 1 4.372 . . . . . . . A 62 ILE HA . 30662 1 289 . 1 . 1 52 52 ILE C C 13 174.383 . . . . . . . A 62 ILE C . 30662 1 290 . 1 . 1 52 52 ILE CA C 13 61.528 . . . . . . . A 62 ILE CA . 30662 1 291 . 1 . 1 52 52 ILE CB C 13 39.810 . . . . . . . A 62 ILE CB . 30662 1 292 . 1 . 1 52 52 ILE N N 15 119.472 . . . . . . . A 62 ILE N . 30662 1 293 . 1 . 1 53 53 ARG H H 1 8.663 . . . . . . . A 63 ARG H . 30662 1 294 . 1 . 1 53 53 ARG HA H 1 4.562 . . . . . . . A 63 ARG HA . 30662 1 295 . 1 . 1 53 53 ARG C C 13 175.639 . . . . . . . A 63 ARG C . 30662 1 296 . 1 . 1 53 53 ARG CA C 13 55.218 . . . . . . . A 63 ARG CA . 30662 1 297 . 1 . 1 53 53 ARG CB C 13 32.073 . . . . . . . A 63 ARG CB . 30662 1 298 . 1 . 1 53 53 ARG N N 15 127.929 . . . . . . . A 63 ARG N . 30662 1 299 . 1 . 1 54 54 ILE H H 1 8.832 . . . . . . . A 64 ILE H . 30662 1 300 . 1 . 1 54 54 ILE HA H 1 5.040 . . . . . . . A 64 ILE HA . 30662 1 301 . 1 . 1 54 54 ILE C C 13 175.415 . . . . . . . A 64 ILE C . 30662 1 302 . 1 . 1 54 54 ILE CA C 13 60.720 . . . . . . . A 64 ILE CA . 30662 1 303 . 1 . 1 54 54 ILE CB C 13 40.602 . . . . . . . A 64 ILE CB . 30662 1 304 . 1 . 1 54 54 ILE N N 15 126.657 . . . . . . . A 64 ILE N . 30662 1 305 . 1 . 1 55 55 SER H H 1 9.160 . . . . . . . A 65 SER H . 30662 1 306 . 1 . 1 55 55 SER HA H 1 4.430 . . . . . . . A 65 SER HA . 30662 1 307 . 1 . 1 55 55 SER C C 13 175.966 . . . . . . . A 65 SER C . 30662 1 308 . 1 . 1 55 55 SER CA C 13 57.066 . . . . . . . A 65 SER CA . 30662 1 309 . 1 . 1 55 55 SER CB C 13 65.663 . . . . . . . A 65 SER CB . 30662 1 310 . 1 . 1 55 55 SER N N 15 122.756 . . . . . . . A 65 SER N . 30662 1 311 . 1 . 1 56 56 GLN H H 1 8.597 . . . . . . . A 66 GLN H . 30662 1 312 . 1 . 1 56 56 GLN HA H 1 5.366 . . . . . . . A 66 GLN HA . 30662 1 313 . 1 . 1 56 56 GLN C C 13 174.522 . . . . . . . A 66 GLN C . 30662 1 314 . 1 . 1 56 56 GLN CA C 13 55.215 . . . . . . . A 66 GLN CA . 30662 1 315 . 1 . 1 56 56 GLN CB C 13 31.555 . . . . . . . A 66 GLN CB . 30662 1 316 . 1 . 1 56 56 GLN N N 15 123.412 . . . . . . . A 66 GLN N . 30662 1 317 . 1 . 1 57 57 GLU H H 1 8.860 . . . . . . . A 67 GLU H . 30662 1 318 . 1 . 1 57 57 GLU HA H 1 4.671 . . . . . . . A 67 GLU HA . 30662 1 319 . 1 . 1 57 57 GLU C C 13 174.585 . . . . . . . A 67 GLU C . 30662 1 320 . 1 . 1 57 57 GLU CA C 13 54.807 . . . . . . . A 67 GLU CA . 30662 1 321 . 1 . 1 57 57 GLU CB C 13 33.976 . . . . . . . A 67 GLU CB . 30662 1 322 . 1 . 1 57 57 GLU N N 15 123.885 . . . . . . . A 67 GLU N . 30662 1 323 . 1 . 1 58 58 LYS H H 1 8.682 . . . . . . . A 68 LYS H . 30662 1 324 . 1 . 1 58 58 LYS HA H 1 5.059 . . . . . . . A 68 LYS HA . 30662 1 325 . 1 . 1 58 58 LYS C C 13 176.247 . . . . . . . A 68 LYS C . 30662 1 326 . 1 . 1 58 58 LYS CA C 13 55.753 . . . . . . . A 68 LYS CA . 30662 1 327 . 1 . 1 58 58 LYS CB C 13 33.994 . . . . . . . A 68 LYS CB . 30662 1 328 . 1 . 1 58 58 LYS N N 15 123.754 . . . . . . . A 68 LYS N . 30662 1 329 . 1 . 1 59 59 GLN H H 1 8.767 . . . . . . . A 69 GLN H . 30662 1 330 . 1 . 1 59 59 GLN HA H 1 4.514 . . . . . . . A 69 GLN HA . 30662 1 331 . 1 . 1 59 59 GLN C C 13 175.180 . . . . . . . A 69 GLN C . 30662 1 332 . 1 . 1 59 59 GLN CA C 13 54.607 . . . . . . . A 69 GLN CA . 30662 1 333 . 1 . 1 59 59 GLN CB C 13 30.918 . . . . . . . A 69 GLN CB . 30662 1 334 . 1 . 1 59 59 GLN N N 15 124.272 . . . . . . . A 69 GLN N . 30662 1 335 . 1 . 1 60 60 ASP H H 1 9.110 . . . . . . . A 70 ASP H . 30662 1 336 . 1 . 1 60 60 ASP HA H 1 4.206 . . . . . . . A 70 ASP HA . 30662 1 337 . 1 . 1 60 60 ASP C C 13 175.904 . . . . . . . A 70 ASP C . 30662 1 338 . 1 . 1 60 60 ASP CA C 13 55.943 . . . . . . . A 70 ASP CA . 30662 1 339 . 1 . 1 60 60 ASP CB C 13 39.901 . . . . . . . A 70 ASP CB . 30662 1 340 . 1 . 1 60 60 ASP N N 15 124.703 . . . . . . . A 70 ASP N . 30662 1 341 . 1 . 1 61 61 GLY H H 1 8.592 . . . . . . . A 71 GLY H . 30662 1 342 . 1 . 1 61 61 GLY HA2 H 1 3.751 . . . . . . . A 71 GLY HA2 . 30662 1 343 . 1 . 1 61 61 GLY HA3 H 1 4.035 . . . . . . . A 71 GLY HA3 . 30662 1 344 . 1 . 1 61 61 GLY C C 13 173.718 . . . . . . . A 71 GLY C . 30662 1 345 . 1 . 1 61 61 GLY CA C 13 45.668 . . . . . . . A 71 GLY CA . 30662 1 346 . 1 . 1 61 61 GLY N N 15 107.760 . . . . . . . A 71 GLY N . 30662 1 347 . 1 . 1 62 62 MET H H 1 7.976 . . . . . . . A 72 MET H . 30662 1 348 . 1 . 1 62 62 MET HA H 1 4.924 . . . . . . . A 72 MET HA . 30662 1 349 . 1 . 1 62 62 MET C C 13 174.396 . . . . . . . A 72 MET C . 30662 1 350 . 1 . 1 62 62 MET CA C 13 54.697 . . . . . . . A 72 MET CA . 30662 1 351 . 1 . 1 62 62 MET CB C 13 35.534 . . . . . . . A 72 MET CB . 30662 1 352 . 1 . 1 62 62 MET N N 15 119.653 . . . . . . . A 72 MET N . 30662 1 353 . 1 . 1 63 63 ASP H H 1 8.560 . . . . . . . A 73 ASP H . 30662 1 354 . 1 . 1 63 63 ASP HA H 1 5.029 . . . . . . . A 73 ASP HA . 30662 1 355 . 1 . 1 63 63 ASP C C 13 174.680 . . . . . . . A 73 ASP C . 30662 1 356 . 1 . 1 63 63 ASP CA C 13 54.592 . . . . . . . A 73 ASP CA . 30662 1 357 . 1 . 1 63 63 ASP CB C 13 44.002 . . . . . . . A 73 ASP CB . 30662 1 358 . 1 . 1 63 63 ASP N N 15 124.053 . . . . . . . A 73 ASP N . 30662 1 359 . 1 . 1 64 64 VAL H H 1 8.659 . . . . . . . A 74 VAL H . 30662 1 360 . 1 . 1 64 64 VAL HA H 1 4.880 . . . . . . . A 74 VAL HA . 30662 1 361 . 1 . 1 64 64 VAL C C 13 174.502 . . . . . . . A 74 VAL C . 30662 1 362 . 1 . 1 64 64 VAL CA C 13 61.715 . . . . . . . A 74 VAL CA . 30662 1 363 . 1 . 1 64 64 VAL CB C 13 34.985 . . . . . . . A 74 VAL CB . 30662 1 364 . 1 . 1 64 64 VAL N N 15 121.879 . . . . . . . A 74 VAL N . 30662 1 365 . 1 . 1 65 65 LEU H H 1 9.511 . . . . . . . A 75 LEU H . 30662 1 366 . 1 . 1 65 65 LEU HA H 1 5.019 . . . . . . . A 75 LEU HA . 30662 1 367 . 1 . 1 65 65 LEU C C 13 173.406 . . . . . . . A 75 LEU C . 30662 1 368 . 1 . 1 65 65 LEU CA C 13 53.359 . . . . . . . A 75 LEU CA . 30662 1 369 . 1 . 1 65 65 LEU CB C 13 45.737 . . . . . . . A 75 LEU CB . 30662 1 370 . 1 . 1 65 65 LEU N N 15 131.570 . . . . . . . A 75 LEU N . 30662 1 371 . 1 . 1 66 66 GLU H H 1 9.223 . . . . . . . A 76 GLU H . 30662 1 372 . 1 . 1 66 66 GLU HA H 1 5.250 . . . . . . . A 76 GLU HA . 30662 1 373 . 1 . 1 66 66 GLU C C 13 174.700 . . . . . . . A 76 GLU C . 30662 1 374 . 1 . 1 66 66 GLU CA C 13 54.593 . . . . . . . A 76 GLU CA . 30662 1 375 . 1 . 1 66 66 GLU CB C 13 32.782 . . . . . . . A 76 GLU CB . 30662 1 376 . 1 . 1 66 66 GLU N N 15 126.405 . . . . . . . A 76 GLU N . 30662 1 377 . 1 . 1 67 67 LEU H H 1 9.663 . . . . . . . A 77 LEU H . 30662 1 378 . 1 . 1 67 67 LEU HA H 1 5.183 . . . . . . . A 77 LEU HA . 30662 1 379 . 1 . 1 67 67 LEU C C 13 175.131 . . . . . . . A 77 LEU C . 30662 1 380 . 1 . 1 67 67 LEU CA C 13 54.138 . . . . . . . A 77 LEU CA . 30662 1 381 . 1 . 1 67 67 LEU CB C 13 43.811 . . . . . . . A 77 LEU CB . 30662 1 382 . 1 . 1 67 67 LEU N N 15 125.951 . . . . . . . A 77 LEU N . 30662 1 383 . 1 . 1 68 68 ASN H H 1 9.064 . . . . . . . A 78 ASN H . 30662 1 384 . 1 . 1 68 68 ASN HA H 1 5.219 . . . . . . . A 78 ASN HA . 30662 1 385 . 1 . 1 68 68 ASN C C 13 174.249 . . . . . . . A 78 ASN C . 30662 1 386 . 1 . 1 68 68 ASN CA C 13 53.447 . . . . . . . A 78 ASN CA . 30662 1 387 . 1 . 1 68 68 ASN CB C 13 42.380 . . . . . . . A 78 ASN CB . 30662 1 388 . 1 . 1 68 68 ASN N N 15 121.706 . . . . . . . A 78 ASN N . 30662 1 389 . 1 . 1 69 69 ILE H H 1 9.102 . . . . . . . A 79 ILE H . 30662 1 390 . 1 . 1 69 69 ILE HA H 1 4.705 . . . . . . . A 79 ILE HA . 30662 1 391 . 1 . 1 69 69 ILE C C 13 175.053 . . . . . . . A 79 ILE C . 30662 1 392 . 1 . 1 69 69 ILE CA C 13 60.515 . . . . . . . A 79 ILE CA . 30662 1 393 . 1 . 1 69 69 ILE CB C 13 41.153 . . . . . . . A 79 ILE CB . 30662 1 394 . 1 . 1 69 69 ILE N N 15 125.355 . . . . . . . A 79 ILE N . 30662 1 395 . 1 . 1 70 70 THR H H 1 8.668 . . . . . . . A 80 THR H . 30662 1 396 . 1 . 1 70 70 THR HA H 1 4.370 . . . . . . . A 80 THR HA . 30662 1 397 . 1 . 1 70 70 THR C C 13 173.657 . . . . . . . A 80 THR C . 30662 1 398 . 1 . 1 70 70 THR CA C 13 62.565 . . . . . . . A 80 THR CA . 30662 1 399 . 1 . 1 70 70 THR CB C 13 69.252 . . . . . . . A 80 THR CB . 30662 1 400 . 1 . 1 70 70 THR N N 15 124.886 . . . . . . . A 80 THR N . 30662 1 401 . 1 . 1 71 71 LEU H H 1 8.101 . . . . . . . A 81 LEU H . 30662 1 402 . 1 . 1 71 71 LEU CA C 13 52.989 . . . . . . . A 81 LEU CA . 30662 1 403 . 1 . 1 71 71 LEU CB C 13 40.414 . . . . . . . A 81 LEU CB . 30662 1 404 . 1 . 1 71 71 LEU N N 15 127.727 . . . . . . . A 81 LEU N . 30662 1 405 . 1 . 1 72 72 PRO HA H 1 4.358 . . . . . . . A 82 PRO HA . 30662 1 406 . 1 . 1 72 72 PRO C C 13 176.564 . . . . . . . A 82 PRO C . 30662 1 407 . 1 . 1 72 72 PRO CA C 13 62.922 . . . . . . . A 82 PRO CA . 30662 1 408 . 1 . 1 72 72 PRO CB C 13 32.246 . . . . . . . A 82 PRO CB . 30662 1 409 . 1 . 1 73 73 GLU H H 1 8.598 . . . . . . . A 83 GLU H . 30662 1 410 . 1 . 1 73 73 GLU HA H 1 4.181 . . . . . . . A 83 GLU HA . 30662 1 411 . 1 . 1 73 73 GLU C C 13 176.688 . . . . . . . A 83 GLU C . 30662 1 412 . 1 . 1 73 73 GLU CA C 13 56.580 . . . . . . . A 83 GLU CA . 30662 1 413 . 1 . 1 73 73 GLU CB C 13 30.413 . . . . . . . A 83 GLU CB . 30662 1 414 . 1 . 1 73 73 GLU N N 15 121.772 . . . . . . . A 83 GLU N . 30662 1 415 . 1 . 1 74 74 GLN H H 1 8.647 . . . . . . . A 84 GLN H . 30662 1 416 . 1 . 1 74 74 GLN HA H 1 4.260 . . . . . . . A 84 GLN HA . 30662 1 417 . 1 . 1 74 74 GLN C C 13 175.783 . . . . . . . A 84 GLN C . 30662 1 418 . 1 . 1 74 74 GLN CA C 13 55.760 . . . . . . . A 84 GLN CA . 30662 1 419 . 1 . 1 74 74 GLN CB C 13 29.569 . . . . . . . A 84 GLN CB . 30662 1 420 . 1 . 1 74 74 GLN N N 15 123.369 . . . . . . . A 84 GLN N . 30662 1 421 . 1 . 1 75 75 LYS H H 1 8.451 . . . . . . . A 85 LYS H . 30662 1 422 . 1 . 1 75 75 LYS HA H 1 4.208 . . . . . . . A 85 LYS HA . 30662 1 423 . 1 . 1 75 75 LYS C C 13 176.371 . . . . . . . A 85 LYS C . 30662 1 424 . 1 . 1 75 75 LYS CA C 13 56.451 . . . . . . . A 85 LYS CA . 30662 1 425 . 1 . 1 75 75 LYS CB C 13 32.980 . . . . . . . A 85 LYS CB . 30662 1 426 . 1 . 1 75 75 LYS N N 15 123.222 . . . . . . . A 85 LYS N . 30662 1 427 . 1 . 1 76 76 LYS H H 1 8.361 . . . . . . . A 86 LYS H . 30662 1 428 . 1 . 1 76 76 LYS HA H 1 4.237 . . . . . . . A 86 LYS HA . 30662 1 429 . 1 . 1 76 76 LYS C C 13 176.376 . . . . . . . A 86 LYS C . 30662 1 430 . 1 . 1 76 76 LYS CA C 13 56.396 . . . . . . . A 86 LYS CA . 30662 1 431 . 1 . 1 76 76 LYS CB C 13 33.225 . . . . . . . A 86 LYS CB . 30662 1 432 . 1 . 1 76 76 LYS N N 15 123.059 . . . . . . . A 86 LYS N . 30662 1 433 . 1 . 1 77 77 VAL H H 1 8.212 . . . . . . . A 87 VAL H . 30662 1 434 . 1 . 1 77 77 VAL HA H 1 3.961 . . . . . . . A 87 VAL HA . 30662 1 435 . 1 . 1 77 77 VAL C C 13 175.912 . . . . . . . A 87 VAL C . 30662 1 436 . 1 . 1 77 77 VAL CA C 13 62.309 . . . . . . . A 87 VAL CA . 30662 1 437 . 1 . 1 77 77 VAL CB C 13 32.856 . . . . . . . A 87 VAL CB . 30662 1 438 . 1 . 1 77 77 VAL N N 15 122.513 . . . . . . . A 87 VAL N . 30662 1 439 . 1 . 1 78 78 LEU H H 1 8.327 . . . . . . . A 88 LEU H . 30662 1 440 . 1 . 1 78 78 LEU HA H 1 4.239 . . . . . . . A 88 LEU HA . 30662 1 441 . 1 . 1 78 78 LEU C C 13 176.964 . . . . . . . A 88 LEU C . 30662 1 442 . 1 . 1 78 78 LEU CA C 13 55.112 . . . . . . . A 88 LEU CA . 30662 1 443 . 1 . 1 78 78 LEU CB C 13 42.383 . . . . . . . A 88 LEU CB . 30662 1 444 . 1 . 1 78 78 LEU N N 15 126.257 . . . . . . . A 88 LEU N . 30662 1 445 . 1 . 1 79 79 GLU H H 1 8.295 . . . . . . . A 89 GLU H . 30662 1 446 . 1 . 1 79 79 GLU HA H 1 4.113 . . . . . . . A 89 GLU HA . 30662 1 447 . 1 . 1 79 79 GLU C C 13 175.972 . . . . . . . A 89 GLU C . 30662 1 448 . 1 . 1 79 79 GLU CA C 13 56.486 . . . . . . . A 89 GLU CA . 30662 1 449 . 1 . 1 79 79 GLU CB C 13 30.398 . . . . . . . A 89 GLU CB . 30662 1 450 . 1 . 1 79 79 GLU N N 15 121.835 . . . . . . . A 89 GLU N . 30662 1 451 . 1 . 1 80 80 HIS H H 1 8.311 . . . . . . . A 90 HIS H . 30662 1 452 . 1 . 1 80 80 HIS C C 13 173.982 . . . . . . . A 90 HIS C . 30662 1 453 . 1 . 1 80 80 HIS CA C 13 55.973 . . . . . . . A 90 HIS CA . 30662 1 454 . 1 . 1 80 80 HIS CB C 13 30.390 . . . . . . . A 90 HIS CB . 30662 1 455 . 1 . 1 80 80 HIS N N 15 120.200 . . . . . . . A 90 HIS N . 30662 1 456 . 1 . 1 81 81 HIS H H 1 8.081 . . . . . . . A 91 HIS H . 30662 1 457 . 1 . 1 81 81 HIS CA C 13 57.405 . . . . . . . A 91 HIS CA . 30662 1 458 . 1 . 1 81 81 HIS CB C 13 30.331 . . . . . . . A 91 HIS CB . 30662 1 459 . 1 . 1 81 81 HIS N N 15 125.456 . . . . . . . A 91 HIS N . 30662 1 stop_ save_