################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27964 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '13C-detected 5D CACONCACO' . . . 27964 1 2 '13C-detected 5D HC(CC-TOCSY)CACON' . . . 27964 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 84 84 TYR HA H 1 4.558 0.0 . 1 . . . . . 84 TYR HA . 27964 1 2 . 1 1 84 84 TYR C C 13 175.664 0.0 . 1 . . . . . 84 TYR C . 27964 1 3 . 1 1 84 84 TYR CA C 13 57.796 0.0 . 1 . . . . . 84 TYR CA . 27964 1 4 . 1 1 84 84 TYR CB C 13 38.576 0.0 . 1 . . . . . 84 TYR CB . 27964 1 5 . 1 1 84 84 TYR N N 15 120.351 0.0 . 1 . . . . . 84 TYR N . 27964 1 6 . 1 1 85 85 ASP H H 1 8.269 0.0 . 1 . . . . . 85 ASP H . 27964 1 7 . 1 1 85 85 ASP HA H 1 4.538 0.0 . 1 . . . . . 85 ASP HA . 27964 1 8 . 1 1 85 85 ASP C C 13 175.743 0.0 . 1 . . . . . 85 ASP C . 27964 1 9 . 1 1 85 85 ASP CA C 13 54.413 0.0 . 1 . . . . . 85 ASP CA . 27964 1 10 . 1 1 85 85 ASP CB C 13 41.076 0.0 . 1 . . . . . 85 ASP CB . 27964 1 11 . 1 1 85 85 ASP N N 15 121.032 0.0 . 1 . . . . . 85 ASP N . 27964 1 12 . 1 1 86 86 GLN H H 1 8.123 0.0 . 1 . . . . . 86 GLN H . 27964 1 13 . 1 1 86 86 GLN HA H 1 4.272 0.0 . 1 . . . . . 86 GLN HA . 27964 1 14 . 1 1 86 86 GLN C C 13 175.656 0.0 . 1 . . . . . 86 GLN C . 27964 1 15 . 1 1 86 86 GLN CA C 13 55.803 0.0 . 1 . . . . . 86 GLN CA . 27964 1 16 . 1 1 86 86 GLN CB C 13 29.386 0.0 . 1 . . . . . 86 GLN CB . 27964 1 17 . 1 1 86 86 GLN N N 15 119.942 0.0 . 1 . . . . . 86 GLN N . 27964 1 18 . 1 1 87 87 LEU H H 1 8.279 0.0 . 1 . . . . . 87 LEU H . 27964 1 19 . 1 1 87 87 LEU HA H 1 4.308 0.0 . 1 . . . . . 87 LEU HA . 27964 1 20 . 1 1 87 87 LEU C C 13 177.074 0.0 . 1 . . . . . 87 LEU C . 27964 1 21 . 1 1 87 87 LEU CA C 13 55.234 0.0 . 1 . . . . . 87 LEU CA . 27964 1 22 . 1 1 87 87 LEU CB C 13 42.406 0.0 . 1 . . . . . 87 LEU CB . 27964 1 23 . 1 1 87 87 LEU N N 15 123.387 0.0 . 1 . . . . . 87 LEU N . 27964 1 24 . 1 1 88 88 ASP H H 1 8.374 0.0 . 1 . . . . . 88 ASP H . 27964 1 25 . 1 1 88 88 ASP HA H 1 4.578 0.0 . 1 . . . . . 88 ASP HA . 27964 1 26 . 1 1 88 88 ASP C C 13 176.183 0.0 . 1 . . . . . 88 ASP C . 27964 1 27 . 1 1 88 88 ASP CA C 13 54.379 0.0 . 1 . . . . . 88 ASP CA . 27964 1 28 . 1 1 88 88 ASP CB C 13 41.136 0.0 . 1 . . . . . 88 ASP CB . 27964 1 29 . 1 1 88 88 ASP N N 15 121.287 0.0 . 1 . . . . . 88 ASP N . 27964 1 30 . 1 1 89 89 GLU H H 1 8.336 0.0 . 1 . . . . . 89 GLU H . 27964 1 31 . 1 1 89 89 GLU HA H 1 4.251 0.0 . 1 . . . . . 89 GLU HA . 27964 1 32 . 1 1 89 89 GLU C C 13 176.516 0.0 . 1 . . . . . 89 GLU C . 27964 1 33 . 1 1 89 89 GLU CA C 13 56.593 0.0 . 1 . . . . . 89 GLU CA . 27964 1 34 . 1 1 89 89 GLU CB C 13 30.196 0.0 . 1 . . . . . 89 GLU CB . 27964 1 35 . 1 1 89 89 GLU N N 15 121.164 0.0 . 1 . . . . . 89 GLU N . 27964 1 36 . 1 1 90 90 GLU H H 1 8.359 0.0 . 1 . . . . . 90 GLU H . 27964 1 37 . 1 1 90 90 GLU HA H 1 4.310 0.0 . 1 . . . . . 90 GLU HA . 27964 1 38 . 1 1 90 90 GLU C C 13 176.661 0.0 . 1 . . . . . 90 GLU C . 27964 1 39 . 1 1 90 90 GLU CA C 13 56.625 0.0 . 1 . . . . . 90 GLU CA . 27964 1 40 . 1 1 90 90 GLU CB C 13 30.136 0.0 . 1 . . . . . 90 GLU CB . 27964 1 41 . 1 1 90 90 GLU N N 15 121.662 0.0 . 1 . . . . . 90 GLU N . 27964 1 42 . 1 1 91 91 THR H H 1 8.182 0.0 . 1 . . . . . 91 THR H . 27964 1 43 . 1 1 91 91 THR HA H 1 4.281 0.0 . 1 . . . . . 91 THR HA . 27964 1 44 . 1 1 91 91 THR C C 13 174.308 0.0 . 1 . . . . . 91 THR C . 27964 1 45 . 1 1 91 91 THR CA C 13 62.022 0.0 . 1 . . . . . 91 THR CA . 27964 1 46 . 1 1 91 91 THR CB C 13 69.826 0.0 . 1 . . . . . 91 THR CB . 27964 1 47 . 1 1 91 91 THR N N 15 116.094 0.0 . 1 . . . . . 91 THR N . 27964 1 48 . 1 1 92 92 GLN H H 1 8.450 0.0 . 1 . . . . . 92 GLN H . 27964 1 49 . 1 1 92 92 GLN HA H 1 4.614 0.0 . 1 . . . . . 92 GLN HA . 27964 1 50 . 1 1 92 92 GLN C C 13 173.864 0.0 . 1 . . . . . 92 GLN C . 27964 1 51 . 1 1 92 92 GLN CA C 13 53.624 0.0 . 1 . . . . . 92 GLN CA . 27964 1 52 . 1 1 92 92 GLN CB C 13 29.006 0.0 . 1 . . . . . 92 GLN CB . 27964 1 53 . 1 1 92 92 GLN N N 15 124.326 0.0 . 1 . . . . . 92 GLN N . 27964 1 54 . 1 1 93 93 PRO HA H 1 4.467 0.0 . 1 . . . . . 93 PRO HA . 27964 1 55 . 1 1 93 93 PRO C C 13 176.950 0.0 . 1 . . . . . 93 PRO C . 27964 1 56 . 1 1 93 93 PRO CA C 13 63.071 0.0 . 1 . . . . . 93 PRO CA . 27964 1 57 . 1 1 93 93 PRO CB C 13 32.166 0.0 . 1 . . . . . 93 PRO CB . 27964 1 58 . 1 1 94 94 THR H H 1 8.368 0.0 . 1 . . . . . 94 THR H . 27964 1 59 . 1 1 94 94 THR HA H 1 4.300 0.0 . 1 . . . . . 94 THR HA . 27964 1 60 . 1 1 94 94 THR C C 13 174.465 0.0 . 1 . . . . . 94 THR C . 27964 1 61 . 1 1 94 94 THR CA C 13 61.997 0.0 . 1 . . . . . 94 THR CA . 27964 1 62 . 1 1 94 94 THR CB C 13 69.876 0.0 . 1 . . . . . 94 THR CB . 27964 1 63 . 1 1 94 94 THR N N 15 116.003 0.0 . 1 . . . . . 94 THR N . 27964 1 64 . 1 1 95 95 VAL H H 1 8.247 0.0 . 1 . . . . . 95 VAL H . 27964 1 65 . 1 1 95 95 VAL HA H 1 4.126 0.0 . 1 . . . . . 95 VAL HA . 27964 1 66 . 1 1 95 95 VAL C C 13 175.890 0.0 . 1 . . . . . 95 VAL C . 27964 1 67 . 1 1 95 95 VAL CA C 13 62.013 0.0 . 1 . . . . . 95 VAL CA . 27964 1 68 . 1 1 95 95 VAL CB C 13 32.976 0.0 . 1 . . . . . 95 VAL CB . 27964 1 69 . 1 1 95 95 VAL N N 15 123.316 0.0 . 1 . . . . . 95 VAL N . 27964 1 70 . 1 1 96 96 GLU H H 1 8.524 0.0 . 1 . . . . . 96 GLU H . 27964 1 71 . 1 1 96 96 GLU HA H 1 4.266 0.0 . 1 . . . . . 96 GLU HA . 27964 1 72 . 1 1 96 96 GLU C C 13 175.922 0.0 . 1 . . . . . 96 GLU C . 27964 1 73 . 1 1 96 96 GLU CA C 13 56.292 0.0 . 1 . . . . . 96 GLU CA . 27964 1 74 . 1 1 96 96 GLU N N 15 125.586 0.0 . 1 . . . . . 96 GLU N . 27964 1 75 . 1 1 97 97 ALA H H 1 8.374 0.0 . 1 . . . . . 97 ALA H . 27964 1 76 . 1 1 97 97 ALA HA H 1 4.296 0.0 . 1 . . . . . 97 ALA HA . 27964 1 77 . 1 1 97 97 ALA C C 13 177.539 0.0 . 1 . . . . . 97 ALA C . 27964 1 78 . 1 1 97 97 ALA CA C 13 52.360 0.0 . 1 . . . . . 97 ALA CA . 27964 1 79 . 1 1 97 97 ALA CB C 13 19.486 0.0 . 1 . . . . . 97 ALA CB . 27964 1 80 . 1 1 97 97 ALA N N 15 125.771 0.0 . 1 . . . . . 97 ALA N . 27964 1 81 . 1 1 98 98 GLU H H 1 8.423 0.0 . 1 . . . . . 98 GLU H . 27964 1 82 . 1 1 98 98 GLU HA H 1 4.264 0.0 . 1 . . . . . 98 GLU HA . 27964 1 83 . 1 1 98 98 GLU C C 13 176.444 0.0 . 1 . . . . . 98 GLU C . 27964 1 84 . 1 1 98 98 GLU CA C 13 56.362 0.0 . 1 . . . . . 98 GLU CA . 27964 1 85 . 1 1 98 98 GLU CB C 13 30.336 0.0 . 1 . . . . . 98 GLU CB . 27964 1 86 . 1 1 98 98 GLU N N 15 120.824 0.0 . 1 . . . . . 98 GLU N . 27964 1 87 . 1 1 99 99 GLU H H 1 8.454 0.0 . 1 . . . . . 99 GLU H . 27964 1 88 . 1 1 99 99 GLU HA H 1 4.273 0.0 . 1 . . . . . 99 GLU HA . 27964 1 89 . 1 1 99 99 GLU C C 13 176.288 0.0 . 1 . . . . . 99 GLU C . 27964 1 90 . 1 1 99 99 GLU CA C 13 56.341 0.0 . 1 . . . . . 99 GLU CA . 27964 1 91 . 1 1 99 99 GLU CB C 13 30.356 0.0 . 1 . . . . . 99 GLU CB . 27964 1 92 . 1 1 99 99 GLU N N 15 122.295 0.0 . 1 . . . . . 99 GLU N . 27964 1 93 . 1 1 100 100 GLU H H 1 8.401 0.0 . 1 . . . . . 100 GLU H . 27964 1 94 . 1 1 100 100 GLU HA H 1 4.269 0.0 . 1 . . . . . 100 GLU HA . 27964 1 95 . 1 1 100 100 GLU C C 13 176.321 0.0 . 1 . . . . . 100 GLU C . 27964 1 96 . 1 1 100 100 GLU CA C 13 56.333 0.0 . 1 . . . . . 100 GLU CA . 27964 1 97 . 1 1 100 100 GLU CB C 13 30.396 0.0 . 1 . . . . . 100 GLU CB . 27964 1 98 . 1 1 100 100 GLU N N 15 122.653 0.0 . 1 . . . . . 100 GLU N . 27964 1 99 . 1 1 101 101 GLU H H 1 8.493 0.0 . 1 . . . . . 101 GLU H . 27964 1 100 . 1 1 101 101 GLU HA H 1 4.260 0.0 . 1 . . . . . 101 GLU HA . 27964 1 101 . 1 1 101 101 GLU C C 13 175.999 0.0 . 1 . . . . . 101 GLU C . 27964 1 102 . 1 1 101 101 GLU CA C 13 56.215 0.0 . 1 . . . . . 101 GLU CA . 27964 1 103 . 1 1 101 101 GLU CB C 13 30.046 0.0 . 1 . . . . . 101 GLU CB . 27964 1 104 . 1 1 101 101 GLU N N 15 122.994 0.0 . 1 . . . . . 101 GLU N . 27964 1 105 . 1 1 102 102 ALA H H 1 8.394 0.0 . 1 . . . . . 102 ALA H . 27964 1 106 . 1 1 102 102 ALA HA H 1 4.309 0.0 . 1 . . . . . 102 ALA HA . 27964 1 107 . 1 1 102 102 ALA C C 13 177.592 0.0 . 1 . . . . . 102 ALA C . 27964 1 108 . 1 1 102 102 ALA CA C 13 52.303 0.0 . 1 . . . . . 102 ALA CA . 27964 1 109 . 1 1 102 102 ALA CB C 13 19.496 0.0 . 1 . . . . . 102 ALA CB . 27964 1 110 . 1 1 102 102 ALA N N 15 126.166 0.0 . 1 . . . . . 102 ALA N . 27964 1 111 . 1 1 103 103 GLU H H 1 8.411 0.0 . 1 . . . . . 103 GLU H . 27964 1 112 . 1 1 103 103 GLU HA H 1 4.260 0.0 . 1 . . . . . 103 GLU HA . 27964 1 113 . 1 1 103 103 GLU C C 13 176.383 0.0 . 1 . . . . . 103 GLU C . 27964 1 114 . 1 1 103 103 GLU CA C 13 56.241 0.0 . 1 . . . . . 103 GLU CA . 27964 1 115 . 1 1 103 103 GLU CB C 13 30.356 0.0 . 1 . . . . . 103 GLU CB . 27964 1 116 . 1 1 103 103 GLU N N 15 121.019 0.0 . 1 . . . . . 103 GLU N . 27964 1 117 . 1 1 104 104 GLU H H 1 8.493 0.0 . 1 . . . . . 104 GLU H . 27964 1 118 . 1 1 104 104 GLU HA H 1 4.247 0.0 . 1 . . . . . 104 GLU HA . 27964 1 119 . 1 1 104 104 GLU C C 13 175.908 0.0 . 1 . . . . . 104 GLU C . 27964 1 120 . 1 1 104 104 GLU CA C 13 56.210 0.0 . 1 . . . . . 104 GLU CA . 27964 1 121 . 1 1 104 104 GLU CB C 13 30.206 0.0 . 1 . . . . . 104 GLU CB . 27964 1 122 . 1 1 104 104 GLU N N 15 122.886 0.0 . 1 . . . . . 104 GLU N . 27964 1 123 . 1 1 105 105 ALA H H 1 8.406 0.0 . 1 . . . . . 105 ALA H . 27964 1 124 . 1 1 105 105 ALA HA H 1 4.343 0.0 . 1 . . . . . 105 ALA HA . 27964 1 125 . 1 1 105 105 ALA C C 13 177.440 0.0 . 1 . . . . . 105 ALA C . 27964 1 126 . 1 1 105 105 ALA CA C 13 52.215 0.0 . 1 . . . . . 105 ALA CA . 27964 1 127 . 1 1 105 105 ALA CB C 13 19.286 0.0 . 1 . . . . . 105 ALA CB . 27964 1 128 . 1 1 105 105 ALA N N 15 126.510 0.0 . 1 . . . . . 105 ALA N . 27964 1 129 . 1 1 106 106 VAL H H 1 8.208 0.0 . 1 . . . . . 106 VAL H . 27964 1 130 . 1 1 106 106 VAL HA H 1 4.098 0.0 . 1 . . . . . 106 VAL HA . 27964 1 131 . 1 1 106 106 VAL C C 13 176.142 0.0 . 1 . . . . . 106 VAL C . 27964 1 132 . 1 1 106 106 VAL CA C 13 62.031 0.0 . 1 . . . . . 106 VAL CA . 27964 1 133 . 1 1 106 106 VAL CB C 13 32.986 0.0 . 1 . . . . . 106 VAL CB . 27964 1 134 . 1 1 106 106 VAL N N 15 120.528 0.0 . 1 . . . . . 106 VAL N . 27964 1 135 . 1 1 107 107 GLU H H 1 8.516 0.0 . 1 . . . . . 107 GLU H . 27964 1 136 . 1 1 107 107 GLU C C 13 176.128 0.0 . 1 . . . . . 107 GLU C . 27964 1 137 . 1 1 107 107 GLU CA C 13 56.223 0.0 . 1 . . . . . 107 GLU CA . 27964 1 138 . 1 1 107 107 GLU N N 15 125.557 0.0 . 1 . . . . . 107 GLU N . 27964 1 139 . 1 1 109 109 ASP HA H 1 4.591 0.0 . 1 . . . . . 109 ASP HA . 27964 1 140 . 1 1 109 109 ASP C C 13 175.917 0.0 . 1 . . . . . 109 ASP C . 27964 1 141 . 1 1 109 109 ASP CA C 13 54.096 0.0 . 1 . . . . . 109 ASP CA . 27964 1 142 . 1 1 109 109 ASP CB C 13 40.706 0.0 . 1 . . . . . 109 ASP CB . 27964 1 143 . 1 1 109 109 ASP N N 15 120.714 0.0 . 1 . . . . . 109 ASP N . 27964 1 144 . 1 1 110 110 LEU H H 1 8.085 0.0 . 1 . . . . . 110 LEU H . 27964 1 145 . 1 1 110 110 LEU HA H 1 4.271 0.0 . 1 . . . . . 110 LEU HA . 27964 1 146 . 1 1 110 110 LEU C C 13 177.008 0.0 . 1 . . . . . 110 LEU C . 27964 1 147 . 1 1 110 110 LEU CA C 13 55.252 0.0 . 1 . . . . . 110 LEU CA . 27964 1 148 . 1 1 110 110 LEU CB C 13 42.546 0.0 . 1 . . . . . 110 LEU CB . 27964 1 149 . 1 1 110 110 LEU N N 15 122.443 0.0 . 1 . . . . . 110 LEU N . 27964 1 150 . 1 1 111 111 ASP H H 1 8.374 0.0 . 1 . . . . . 111 ASP H . 27964 1 151 . 1 1 111 111 ASP HA H 1 4.599 0.0 . 1 . . . . . 111 ASP HA . 27964 1 152 . 1 1 111 111 ASP C C 13 175.935 0.0 . 1 . . . . . 111 ASP C . 27964 1 153 . 1 1 111 111 ASP CA C 13 54.001 0.0 . 1 . . . . . 111 ASP CA . 27964 1 154 . 1 1 111 111 ASP CB C 13 40.586 0.0 . 1 . . . . . 111 ASP CB . 27964 1 155 . 1 1 111 111 ASP N N 15 121.483 0.0 . 1 . . . . . 111 ASP N . 27964 1 156 . 1 1 112 112 LEU H H 1 8.149 0.0 . 1 . . . . . 112 LEU H . 27964 1 157 . 1 1 112 112 LEU HA H 1 4.298 0.0 . 1 . . . . . 112 LEU HA . 27964 1 158 . 1 1 112 112 LEU C C 13 177.247 0.0 . 1 . . . . . 112 LEU C . 27964 1 159 . 1 1 112 112 LEU CA C 13 55.134 0.0 . 1 . . . . . 112 LEU CA . 27964 1 160 . 1 1 112 112 LEU CB C 13 42.476 0.0 . 1 . . . . . 112 LEU CB . 27964 1 161 . 1 1 112 112 LEU N N 15 122.928 0.0 . 1 . . . . . 112 LEU N . 27964 1 162 . 1 1 113 113 ASP H H 1 8.339 0.0 . 1 . . . . . 113 ASP H . 27964 1 163 . 1 1 113 113 ASP HA H 1 4.548 0.0 . 1 . . . . . 113 ASP HA . 27964 1 164 . 1 1 113 113 ASP C C 13 176.016 0.0 . 1 . . . . . 113 ASP C . 27964 1 165 . 1 1 113 113 ASP CA C 13 54.419 0.0 . 1 . . . . . 113 ASP CA . 27964 1 166 . 1 1 113 113 ASP CB C 13 40.996 0.0 . 1 . . . . . 113 ASP CB . 27964 1 167 . 1 1 113 113 ASP N N 15 121.224 0.0 . 1 . . . . . 113 ASP N . 27964 1 168 . 1 1 114 114 GLU H H 1 8.184 0.0 . 1 . . . . . 114 GLU H . 27964 1 169 . 1 1 114 114 GLU HA H 1 4.215 0.0 . 1 . . . . . 114 GLU HA . 27964 1 170 . 1 1 114 114 GLU C C 13 175.887 0.0 . 1 . . . . . 114 GLU C . 27964 1 171 . 1 1 114 114 GLU CA C 13 56.355 0.0 . 1 . . . . . 114 GLU CA . 27964 1 172 . 1 1 114 114 GLU CB C 13 29.396 0.0 . 1 . . . . . 114 GLU CB . 27964 1 173 . 1 1 114 114 GLU N N 15 121.010 0.0 . 1 . . . . . 114 GLU N . 27964 1 174 . 1 1 115 115 PHE H H 1 8.224 0.0 . 1 . . . . . 115 PHE H . 27964 1 175 . 1 1 115 115 PHE HA H 1 4.601 0.0 . 1 . . . . . 115 PHE HA . 27964 1 176 . 1 1 115 115 PHE C C 13 175.313 0.0 . 1 . . . . . 115 PHE C . 27964 1 177 . 1 1 115 115 PHE CA C 13 57.608 0.0 . 1 . . . . . 115 PHE CA . 27964 1 178 . 1 1 115 115 PHE CB C 13 39.756 0.0 . 1 . . . . . 115 PHE CB . 27964 1 179 . 1 1 115 115 PHE N N 15 121.299 0.0 . 1 . . . . . 115 PHE N . 27964 1 180 . 1 1 116 116 GLU H H 1 8.140 0.0 . 1 . . . . . 116 GLU H . 27964 1 181 . 1 1 116 116 GLU HA H 1 4.256 0.0 . 1 . . . . . 116 GLU HA . 27964 1 182 . 1 1 116 116 GLU C C 13 175.506 0.0 . 1 . . . . . 116 GLU C . 27964 1 183 . 1 1 116 116 GLU CA C 13 55.955 0.0 . 1 . . . . . 116 GLU CA . 27964 1 184 . 1 1 116 116 GLU CB C 13 30.526 0.0 . 1 . . . . . 116 GLU CB . 27964 1 185 . 1 1 116 116 GLU N N 15 123.257 0.0 . 1 . . . . . 116 GLU N . 27964 1 186 . 1 1 117 117 GLU H H 1 8.387 0.0 . 1 . . . . . 117 GLU H . 27964 1 187 . 1 1 117 117 GLU HA H 1 4.271 0.0 . 1 . . . . . 117 GLU HA . 27964 1 188 . 1 1 117 117 GLU C C 13 175.912 0.0 . 1 . . . . . 117 GLU C . 27964 1 189 . 1 1 117 117 GLU CA C 13 56.167 0.0 . 1 . . . . . 117 GLU CA . 27964 1 190 . 1 1 117 117 GLU CB C 13 30.096 0.0 . 1 . . . . . 117 GLU CB . 27964 1 191 . 1 1 117 117 GLU N N 15 123.247 0.0 . 1 . . . . . 117 GLU N . 27964 1 192 . 1 1 118 118 ILE HA H 1 4.173 0.0 . 1 . . . . . 118 ILE HA . 27964 1 193 . 1 1 118 118 ILE C C 13 175.667 0.0 . 1 . . . . . 118 ILE C . 27964 1 194 . 1 1 118 118 ILE CA C 13 60.731 0.0 . 1 . . . . . 118 ILE CA . 27964 1 195 . 1 1 118 118 ILE CB C 13 39.306 0.0 . 1 . . . . . 118 ILE CB . 27964 1 196 . 1 1 118 118 ILE N N 15 123.166 0.0 . 1 . . . . . 118 ILE N . 27964 1 197 . 1 1 119 119 ASP H H 1 8.513 0.0 . 1 . . . . . 119 ASP H . 27964 1 198 . 1 1 119 119 ASP HA H 1 4.626 0.0 . 1 . . . . . 119 ASP HA . 27964 1 199 . 1 1 119 119 ASP C C 13 175.950 0.0 . 1 . . . . . 119 ASP C . 27964 1 200 . 1 1 119 119 ASP CA C 13 53.952 0.0 . 1 . . . . . 119 ASP CA . 27964 1 201 . 1 1 119 119 ASP CB C 13 40.906 0.0 . 1 . . . . . 119 ASP CB . 27964 1 202 . 1 1 119 119 ASP N N 15 125.535 0.0 . 1 . . . . . 119 ASP N . 27964 1 203 . 1 1 120 120 GLU H H 1 8.467 0.0 . 1 . . . . . 120 GLU H . 27964 1 204 . 1 1 120 120 GLU HA H 1 4.270 0.0 . 1 . . . . . 120 GLU HA . 27964 1 205 . 1 1 120 120 GLU C C 13 176.144 0.0 . 1 . . . . . 120 GLU C . 27964 1 206 . 1 1 120 120 GLU CA C 13 56.436 0.0 . 1 . . . . . 120 GLU CA . 27964 1 207 . 1 1 120 120 GLU CB C 13 30.266 0.0 . 1 . . . . . 120 GLU CB . 27964 1 208 . 1 1 120 120 GLU N N 15 122.492 0.0 . 1 . . . . . 120 GLU N . 27964 1 209 . 1 1 121 121 ASP H H 1 8.423 0.0 . 1 . . . . . 121 ASP H . 27964 1 210 . 1 1 121 121 ASP HA H 1 4.570 0.0 . 1 . . . . . 121 ASP HA . 27964 1 211 . 1 1 121 121 ASP C C 13 175.884 0.0 . 1 . . . . . 121 ASP C . 27964 1 212 . 1 1 121 121 ASP CA C 13 54.496 0.0 . 1 . . . . . 121 ASP CA . 27964 1 213 . 1 1 121 121 ASP CB C 13 41.086 0.0 . 1 . . . . . 121 ASP CB . 27964 1 214 . 1 1 121 121 ASP N N 15 121.510 0.0 . 1 . . . . . 121 ASP N . 27964 1 215 . 1 1 122 122 ASP H H 1 8.292 0.0 . 1 . . . . . 122 ASP H . 27964 1 216 . 1 1 122 122 ASP C C 13 175.927 0.0 . 1 . . . . . 122 ASP C . 27964 1 217 . 1 1 122 122 ASP CA C 13 54.096 0.0 . 1 . . . . . 122 ASP CA . 27964 1 218 . 1 1 122 122 ASP N N 15 120.692 0.0 . 1 . . . . . 122 ASP N . 27964 1 219 . 1 1 123 123 LEU H H 1 8.149 0.0 . 1 . . . . . 123 LEU H . 27964 1 220 . 1 1 123 123 LEU C C 13 177.002 0.0 . 1 . . . . . 123 LEU C . 27964 1 221 . 1 1 123 123 LEU CA C 13 55.256 0.0 . 1 . . . . . 123 LEU CA . 27964 1 222 . 1 1 123 123 LEU CB C 13 43.506 0.0 . 1 . . . . . 123 LEU CB . 27964 1 223 . 1 1 123 123 LEU N N 15 122.440 0.0 . 1 . . . . . 123 LEU N . 27964 1 224 . 1 1 124 124 ASP HA H 1 4.599 0.0 . 1 . . . . . 124 ASP HA . 27964 1 225 . 1 1 124 124 ASP C C 13 175.937 0.0 . 1 . . . . . 124 ASP C . 27964 1 226 . 1 1 124 124 ASP CA C 13 54.046 0.0 . 1 . . . . . 124 ASP CA . 27964 1 227 . 1 1 124 124 ASP CB C 13 40.596 0.0 . 1 . . . . . 124 ASP CB . 27964 1 228 . 1 1 124 124 ASP N N 15 121.462 0.0 . 1 . . . . . 124 ASP N . 27964 1 229 . 1 1 125 125 LEU H H 1 8.149 0.0 . 1 . . . . . 125 LEU H . 27964 1 230 . 1 1 125 125 LEU HA H 1 4.298 0.0 . 1 . . . . . 125 LEU HA . 27964 1 231 . 1 1 125 125 LEU C C 13 177.247 0.0 . 1 . . . . . 125 LEU C . 27964 1 232 . 1 1 125 125 LEU CA C 13 55.134 0.0 . 1 . . . . . 125 LEU CA . 27964 1 233 . 1 1 125 125 LEU CB C 13 42.476 0.0 . 1 . . . . . 125 LEU CB . 27964 1 234 . 1 1 125 125 LEU N N 15 122.928 0.0 . 1 . . . . . 125 LEU N . 27964 1 235 . 1 1 126 126 ASP H H 1 8.332 0.0 . 1 . . . . . 126 ASP H . 27964 1 236 . 1 1 126 126 ASP HA H 1 4.569 0.0 . 1 . . . . . 126 ASP HA . 27964 1 237 . 1 1 126 126 ASP C C 13 176.016 0.0 . 1 . . . . . 126 ASP C . 27964 1 238 . 1 1 126 126 ASP CA C 13 54.419 0.0 . 1 . . . . . 126 ASP CA . 27964 1 239 . 1 1 126 126 ASP CB C 13 40.956 0.0 . 1 . . . . . 126 ASP CB . 27964 1 240 . 1 1 126 126 ASP N N 15 121.224 0.0 . 1 . . . . . 126 ASP N . 27964 1 241 . 1 1 127 127 GLU H H 1 8.233 0.0 . 1 . . . . . 127 GLU H . 27964 1 242 . 1 1 127 127 GLU HA H 1 4.293 0.0 . 1 . . . . . 127 GLU HA . 27964 1 243 . 1 1 127 127 GLU C C 13 176.170 0.0 . 1 . . . . . 127 GLU C . 27964 1 244 . 1 1 127 127 GLU CA C 13 56.253 0.0 . 1 . . . . . 127 GLU CA . 27964 1 245 . 1 1 127 127 GLU CB C 13 30.146 0.0 . 1 . . . . . 127 GLU CB . 27964 1 246 . 1 1 127 127 GLU N N 15 121.325 0.0 . 1 . . . . . 127 GLU N . 27964 1 247 . 1 1 128 128 VAL H H 1 8.191 0.0 . 1 . . . . . 128 VAL H . 27964 1 248 . 1 1 128 128 VAL HA H 1 4.081 0.0 . 1 . . . . . 128 VAL HA . 27964 1 249 . 1 1 128 128 VAL C C 13 176.045 0.0 . 1 . . . . . 128 VAL C . 27964 1 250 . 1 1 128 128 VAL CA C 13 62.205 0.0 . 1 . . . . . 128 VAL CA . 27964 1 251 . 1 1 128 128 VAL CB C 13 32.986 0.0 . 1 . . . . . 128 VAL CB . 27964 1 252 . 1 1 128 128 VAL N N 15 122.045 0.0 . 1 . . . . . 128 VAL N . 27964 1 253 . 1 1 129 129 GLU H H 1 8.498 0.0 . 1 . . . . . 129 GLU H . 27964 1 254 . 1 1 129 129 GLU HA H 1 4.297 0.0 . 1 . . . . . 129 GLU HA . 27964 1 255 . 1 1 129 129 GLU C C 13 176.141 0.0 . 1 . . . . . 129 GLU C . 27964 1 256 . 1 1 129 129 GLU CA C 13 56.221 0.0 . 1 . . . . . 129 GLU CA . 27964 1 257 . 1 1 129 129 GLU CB C 13 30.276 0.0 . 1 . . . . . 129 GLU CB . 27964 1 258 . 1 1 129 129 GLU N N 15 125.554 0.0 . 1 . . . . . 129 GLU N . 27964 1 259 . 1 1 130 130 GLU H H 1 8.465 0.0 . 1 . . . . . 130 GLU H . 27964 1 260 . 1 1 130 130 GLU HA H 1 4.264 0.0 . 1 . . . . . 130 GLU HA . 27964 1 261 . 1 1 130 130 GLU C C 13 176.077 0.0 . 1 . . . . . 130 GLU C . 27964 1 262 . 1 1 130 130 GLU CA C 13 56.336 0.0 . 1 . . . . . 130 GLU CA . 27964 1 263 . 1 1 130 130 GLU CB C 13 30.426 0.0 . 1 . . . . . 130 GLU CB . 27964 1 264 . 1 1 130 130 GLU N N 15 123.074 0.0 . 1 . . . . . 130 GLU N . 27964 1 265 . 1 1 131 131 GLU H H 1 8.465 0.0 . 1 . . . . . 131 GLU H . 27964 1 266 . 1 1 131 131 GLU HA H 1 4.291 0.0 . 1 . . . . . 131 GLU HA . 27964 1 267 . 1 1 131 131 GLU C C 13 176.029 0.0 . 1 . . . . . 131 GLU C . 27964 1 268 . 1 1 131 131 GLU CA C 13 56.233 0.0 . 1 . . . . . 131 GLU CA . 27964 1 269 . 1 1 131 131 GLU CB C 13 30.016 0.0 . 1 . . . . . 131 GLU CB . 27964 1 270 . 1 1 131 131 GLU N N 15 123.025 0.0 . 1 . . . . . 131 GLU N . 27964 1 271 . 1 1 132 132 LEU H H 1 8.320 0.0 . 1 . . . . . 132 LEU H . 27964 1 272 . 1 1 132 132 LEU HA H 1 4.328 0.0 . 1 . . . . . 132 LEU HA . 27964 1 273 . 1 1 132 132 LEU C C 13 176.819 0.0 . 1 . . . . . 132 LEU C . 27964 1 274 . 1 1 132 132 LEU CA C 13 55.017 0.0 . 1 . . . . . 132 LEU CA . 27964 1 275 . 1 1 132 132 LEU CB C 13 42.816 0.0 . 1 . . . . . 132 LEU CB . 27964 1 276 . 1 1 132 132 LEU N N 15 124.352 0.0 . 1 . . . . . 132 LEU N . 27964 1 277 . 1 1 133 133 ASP H H 1 8.447 0.0 . 1 . . . . . 133 ASP H . 27964 1 278 . 1 1 133 133 ASP HA H 1 4.609 0.0 . 1 . . . . . 133 ASP HA . 27964 1 279 . 1 1 133 133 ASP C C 13 175.882 0.0 . 1 . . . . . 133 ASP C . 27964 1 280 . 1 1 133 133 ASP CA C 13 53.916 0.0 . 1 . . . . . 133 ASP CA . 27964 1 281 . 1 1 133 133 ASP CB C 13 40.656 0.0 . 1 . . . . . 133 ASP CB . 27964 1 282 . 1 1 133 133 ASP N N 15 121.943 0.0 . 1 . . . . . 133 ASP N . 27964 1 283 . 1 1 134 134 LEU H H 1 8.213 0.0 . 1 . . . . . 134 LEU H . 27964 1 284 . 1 1 134 134 LEU HA H 1 4.307 0.0 . 1 . . . . . 134 LEU HA . 27964 1 285 . 1 1 134 134 LEU C C 13 177.462 0.0 . 1 . . . . . 134 LEU C . 27964 1 286 . 1 1 134 134 LEU CA C 13 55.168 0.0 . 1 . . . . . 134 LEU CA . 27964 1 287 . 1 1 134 134 LEU CB C 13 42.466 0.0 . 1 . . . . . 134 LEU CB . 27964 1 288 . 1 1 134 134 LEU N N 15 123.354 0.0 . 1 . . . . . 134 LEU N . 27964 1 289 . 1 1 135 135 GLU H H 1 8.384 0.0 . 1 . . . . . 135 GLU H . 27964 1 290 . 1 1 135 135 GLU HA H 1 4.259 0.0 . 1 . . . . . 135 GLU HA . 27964 1 291 . 1 1 135 135 GLU C C 13 175.995 0.0 . 1 . . . . . 135 GLU C . 27964 1 292 . 1 1 135 135 GLU CA C 13 56.208 0.0 . 1 . . . . . 135 GLU CA . 27964 1 293 . 1 1 135 135 GLU CB C 13 29.976 0.0 . 1 . . . . . 135 GLU CB . 27964 1 294 . 1 1 135 135 GLU N N 15 121.672 0.0 . 1 . . . . . 135 GLU N . 27964 1 295 . 1 1 136 136 ALA H H 1 8.214 0.0 . 1 . . . . . 136 ALA H . 27964 1 296 . 1 1 136 136 ALA HA H 1 4.273 0.0 . 1 . . . . . 136 ALA HA . 27964 1 297 . 1 1 136 136 ALA C C 13 177.347 0.0 . 1 . . . . . 136 ALA C . 27964 1 298 . 1 1 136 136 ALA CA C 13 52.392 0.0 . 1 . . . . . 136 ALA CA . 27964 1 299 . 1 1 136 136 ALA CB C 13 19.566 0.0 . 1 . . . . . 136 ALA CB . 27964 1 300 . 1 1 136 136 ALA N N 15 125.427 0.0 . 1 . . . . . 136 ALA N . 27964 1 301 . 1 1 137 137 ASP H H 1 8.296 0.0 . 1 . . . . . 137 ASP H . 27964 1 302 . 1 1 137 137 ASP HA H 1 4.543 0.0 . 1 . . . . . 137 ASP HA . 27964 1 303 . 1 1 137 137 ASP C C 13 175.672 0.0 . 1 . . . . . 137 ASP C . 27964 1 304 . 1 1 137 137 ASP CA C 13 54.121 0.0 . 1 . . . . . 137 ASP CA . 27964 1 305 . 1 1 137 137 ASP CB C 13 41.116 0.0 . 1 . . . . . 137 ASP CB . 27964 1 306 . 1 1 137 137 ASP N N 15 120.114 0.0 . 1 . . . . . 137 ASP N . 27964 1 307 . 1 1 138 138 ASP H H 1 8.181 0.0 . 1 . . . . . 138 ASP H . 27964 1 308 . 1 1 138 138 ASP HA H 1 4.559 0.0 . 1 . . . . . 138 ASP HA . 27964 1 309 . 1 1 138 138 ASP C C 13 175.651 0.0 . 1 . . . . . 138 ASP C . 27964 1 310 . 1 1 138 138 ASP CA C 13 53.917 0.0 . 1 . . . . . 138 ASP CA . 27964 1 311 . 1 1 138 138 ASP CB C 13 40.916 0.0 . 1 . . . . . 138 ASP CB . 27964 1 312 . 1 1 138 138 ASP N N 15 120.526 0.0 . 1 . . . . . 138 ASP N . 27964 1 313 . 1 1 139 139 PHE H H 1 8.126 0.0 . 1 . . . . . 139 PHE H . 27964 1 314 . 1 1 139 139 PHE HA H 1 4.592 0.0 . 1 . . . . . 139 PHE HA . 27964 1 315 . 1 1 139 139 PHE C C 13 175.278 0.0 . 1 . . . . . 139 PHE C . 27964 1 316 . 1 1 139 139 PHE CA C 13 57.568 0.0 . 1 . . . . . 139 PHE CA . 27964 1 317 . 1 1 139 139 PHE CB C 13 39.736 0.0 . 1 . . . . . 139 PHE CB . 27964 1 318 . 1 1 139 139 PHE N N 15 120.682 0.0 . 1 . . . . . 139 PHE N . 27964 1 319 . 1 1 140 140 ASP H H 1 8.305 0.0 . 1 . . . . . 140 ASP H . 27964 1 320 . 1 1 140 140 ASP HA H 1 4.584 0.0 . 1 . . . . . 140 ASP HA . 27964 1 321 . 1 1 140 140 ASP C C 13 175.682 0.0 . 1 . . . . . 140 ASP C . 27964 1 322 . 1 1 140 140 ASP CA C 13 53.984 0.0 . 1 . . . . . 140 ASP CA . 27964 1 323 . 1 1 140 140 ASP CB C 13 41.096 0.0 . 1 . . . . . 140 ASP CB . 27964 1 324 . 1 1 140 140 ASP N N 15 122.680 0.0 . 1 . . . . . 140 ASP N . 27964 1 325 . 1 1 141 141 GLU H H 1 8.277 0.0 . 1 . . . . . 141 GLU H . 27964 1 326 . 1 1 141 141 GLU HA H 1 4.235 0.0 . 1 . . . . . 141 GLU HA . 27964 1 327 . 1 1 141 141 GLU C C 13 176.308 0.0 . 1 . . . . . 141 GLU C . 27964 1 328 . 1 1 141 141 GLU CA C 13 56.446 0.0 . 1 . . . . . 141 GLU CA . 27964 1 329 . 1 1 141 141 GLU CB C 13 30.016 0.0 . 1 . . . . . 141 GLU CB . 27964 1 330 . 1 1 141 141 GLU N N 15 121.867 0.0 . 1 . . . . . 141 GLU N . 27964 1 331 . 1 1 142 142 GLU H H 1 8.408 0.0 . 1 . . . . . 142 GLU H . 27964 1 332 . 1 1 142 142 GLU HA H 1 4.241 0.0 . 1 . . . . . 142 GLU HA . 27964 1 333 . 1 1 142 142 GLU C C 13 175.916 0.0 . 1 . . . . . 142 GLU C . 27964 1 334 . 1 1 142 142 GLU CA C 13 56.415 0.0 . 1 . . . . . 142 GLU CA . 27964 1 335 . 1 1 142 142 GLU CB C 13 30.086 0.0 . 1 . . . . . 142 GLU CB . 27964 1 336 . 1 1 142 142 GLU N N 15 122.021 0.0 . 1 . . . . . 142 GLU N . 27964 1 337 . 1 1 143 143 ASP H H 1 8.429 0.0 . 1 . . . . . 143 ASP H . 27964 1 338 . 1 1 143 143 ASP HA H 1 4.605 0.0 . 1 . . . . . 143 ASP HA . 27964 1 339 . 1 1 143 143 ASP C C 13 175.798 0.0 . 1 . . . . . 143 ASP C . 27964 1 340 . 1 1 143 143 ASP CA C 13 54.071 0.0 . 1 . . . . . 143 ASP CA . 27964 1 341 . 1 1 143 143 ASP CB C 13 40.746 0.0 . 1 . . . . . 143 ASP CB . 27964 1 342 . 1 1 143 143 ASP N N 15 121.975 0.0 . 1 . . . . . 143 ASP N . 27964 1 343 . 1 1 144 144 LEU H H 1 8.226 0.0 . 1 . . . . . 144 LEU H . 27964 1 344 . 1 1 144 144 LEU HA H 1 4.329 0.0 . 1 . . . . . 144 LEU HA . 27964 1 345 . 1 1 144 144 LEU C C 13 177.060 0.0 . 1 . . . . . 144 LEU C . 27964 1 346 . 1 1 144 144 LEU CA C 13 54.992 0.0 . 1 . . . . . 144 LEU CA . 27964 1 347 . 1 1 144 144 LEU CB C 13 42.576 0.0 . 1 . . . . . 144 LEU CB . 27964 1 348 . 1 1 144 144 LEU N N 15 123.225 0.0 . 1 . . . . . 144 LEU N . 27964 1 349 . 1 1 145 145 ASP H H 1 8.385 0.0 . 1 . . . . . 145 ASP H . 27964 1 350 . 1 1 145 145 ASP HA H 1 4.603 0.0 . 1 . . . . . 145 ASP HA . 27964 1 351 . 1 1 145 145 ASP C C 13 175.945 0.0 . 1 . . . . . 145 ASP C . 27964 1 352 . 1 1 145 145 ASP CA C 13 54.196 0.0 . 1 . . . . . 145 ASP CA . 27964 1 353 . 1 1 145 145 ASP CB C 13 40.946 0.0 . 1 . . . . . 145 ASP CB . 27964 1 354 . 1 1 145 145 ASP N N 15 121.718 0.0 . 1 . . . . . 145 ASP N . 27964 1 355 . 1 1 146 146 GLU H H 1 8.335 0.0 . 1 . . . . . 146 GLU H . 27964 1 356 . 1 1 146 146 GLU HA H 1 4.283 0.0 . 1 . . . . . 146 GLU HA . 27964 1 357 . 1 1 146 146 GLU C C 13 175.976 0.0 . 1 . . . . . 146 GLU C . 27964 1 358 . 1 1 146 146 GLU CA C 13 56.208 0.0 . 1 . . . . . 146 GLU CA . 27964 1 359 . 1 1 146 146 GLU CB C 13 30.346 0.0 . 1 . . . . . 146 GLU CB . 27964 1 360 . 1 1 146 146 GLU N N 15 121.678 0.0 . 1 . . . . . 146 GLU N . 27964 1 361 . 1 1 147 147 ASP H H 1 8.429 0.0 . 1 . . . . . 147 ASP H . 27964 1 362 . 1 1 147 147 ASP HA H 1 4.610 0.0 . 1 . . . . . 147 ASP HA . 27964 1 363 . 1 1 147 147 ASP C C 13 175.809 0.0 . 1 . . . . . 147 ASP C . 27964 1 364 . 1 1 147 147 ASP CA C 13 54.196 0.0 . 1 . . . . . 147 ASP CA . 27964 1 365 . 1 1 147 147 ASP CB C 13 41.016 0.0 . 1 . . . . . 147 ASP CB . 27964 1 366 . 1 1 147 147 ASP N N 15 121.831 0.0 . 1 . . . . . 147 ASP N . 27964 1 367 . 1 1 148 148 ASP H H 1 8.358 0.0 . 1 . . . . . 148 ASP H . 27964 1 368 . 1 1 148 148 ASP HA H 1 4.608 0.0 . 1 . . . . . 148 ASP HA . 27964 1 369 . 1 1 148 148 ASP C C 13 175.968 0.0 . 1 . . . . . 148 ASP C . 27964 1 370 . 1 1 148 148 ASP CA C 13 54.101 0.0 . 1 . . . . . 148 ASP CA . 27964 1 371 . 1 1 148 148 ASP CB C 13 40.976 0.0 . 1 . . . . . 148 ASP CB . 27964 1 372 . 1 1 148 148 ASP N N 15 121.406 0.0 . 1 . . . . . 148 ASP N . 27964 1 373 . 1 1 149 149 ASP H H 1 8.350 0.0 . 1 . . . . . 149 ASP H . 27964 1 374 . 1 1 149 149 ASP HA H 1 4.566 0.0 . 1 . . . . . 149 ASP HA . 27964 1 375 . 1 1 149 149 ASP C C 13 175.895 0.0 . 1 . . . . . 149 ASP C . 27964 1 376 . 1 1 149 149 ASP CA C 13 54.496 0.0 . 1 . . . . . 149 ASP CA . 27964 1 377 . 1 1 149 149 ASP CB C 13 40.936 0.0 . 1 . . . . . 149 ASP CB . 27964 1 378 . 1 1 149 149 ASP N N 15 121.502 0.0 . 1 . . . . . 149 ASP N . 27964 1 379 . 1 1 150 150 ASP H H 1 8.330 0.0 . 1 . . . . . 150 ASP H . 27964 1 380 . 1 1 150 150 ASP HA H 1 4.591 0.0 . 1 . . . . . 150 ASP HA . 27964 1 381 . 1 1 150 150 ASP C C 13 175.927 0.0 . 1 . . . . . 150 ASP C . 27964 1 382 . 1 1 150 150 ASP CA C 13 54.114 0.0 . 1 . . . . . 150 ASP CA . 27964 1 383 . 1 1 150 150 ASP CB C 13 40.706 0.0 . 1 . . . . . 150 ASP CB . 27964 1 384 . 1 1 150 150 ASP N N 15 120.676 0.0 . 1 . . . . . 150 ASP N . 27964 1 385 . 1 1 151 151 LEU H H 1 8.085 0.0 . 1 . . . . . 151 LEU H . 27964 1 386 . 1 1 151 151 LEU HA H 1 4.287 0.0 . 1 . . . . . 151 LEU HA . 27964 1 387 . 1 1 151 151 LEU C C 13 177.257 0.0 . 1 . . . . . 151 LEU C . 27964 1 388 . 1 1 151 151 LEU CA C 13 55.223 0.0 . 1 . . . . . 151 LEU CA . 27964 1 389 . 1 1 151 151 LEU CB C 13 42.506 0.0 . 1 . . . . . 151 LEU CB . 27964 1 390 . 1 1 151 151 LEU N N 15 122.474 0.0 . 1 . . . . . 151 LEU N . 27964 1 391 . 1 1 152 152 GLU H H 1 8.359 0.0 . 1 . . . . . 152 GLU H . 27964 1 392 . 1 1 152 152 GLU HA H 1 4.300 0.0 . 1 . . . . . 152 GLU HA . 27964 1 393 . 1 1 152 152 GLU C C 13 176.000 0.0 . 1 . . . . . 152 GLU C . 27964 1 394 . 1 1 152 152 GLU CA C 13 56.169 0.0 . 1 . . . . . 152 GLU CA . 27964 1 395 . 1 1 152 152 GLU CB C 13 30.076 0.0 . 1 . . . . . 152 GLU CB . 27964 1 396 . 1 1 152 152 GLU N N 15 122.511 0.0 . 1 . . . . . 152 GLU N . 27964 1 397 . 1 1 153 153 ILE H H 1 8.187 0.0 . 1 . . . . . 153 ILE H . 27964 1 398 . 1 1 153 153 ILE HA H 1 4.147 0.0 . 1 . . . . . 153 ILE HA . 27964 1 399 . 1 1 153 153 ILE C C 13 176.067 0.0 . 1 . . . . . 153 ILE C . 27964 1 400 . 1 1 153 153 ILE CA C 13 60.807 0.0 . 1 . . . . . 153 ILE CA . 27964 1 401 . 1 1 153 153 ILE CB C 13 38.956 0.0 . 1 . . . . . 153 ILE CB . 27964 1 402 . 1 1 153 153 ILE N N 15 122.836 0.0 . 1 . . . . . 153 ILE N . 27964 1 403 . 1 1 154 154 GLU H H 1 8.493 0.0 . 1 . . . . . 154 GLU H . 27964 1 404 . 1 1 154 154 GLU HA H 1 4.308 0.0 . 1 . . . . . 154 GLU HA . 27964 1 405 . 1 1 154 154 GLU C C 13 176.029 0.0 . 1 . . . . . 154 GLU C . 27964 1 406 . 1 1 154 154 GLU CA C 13 56.153 0.0 . 1 . . . . . 154 GLU CA . 27964 1 407 . 1 1 154 154 GLU CB C 13 30.216 0.0 . 1 . . . . . 154 GLU CB . 27964 1 408 . 1 1 154 154 GLU N N 15 125.995 0.0 . 1 . . . . . 154 GLU N . 27964 1 409 . 1 1 155 155 GLU H H 1 8.455 0.0 . 1 . . . . . 155 GLU H . 27964 1 410 . 1 1 155 155 GLU HA H 1 4.283 0.0 . 1 . . . . . 155 GLU HA . 27964 1 411 . 1 1 155 155 GLU C C 13 175.838 0.0 . 1 . . . . . 155 GLU C . 27964 1 412 . 1 1 155 155 GLU CA C 13 56.237 0.0 . 1 . . . . . 155 GLU CA . 27964 1 413 . 1 1 155 155 GLU CB C 13 30.726 0.0 . 1 . . . . . 155 GLU CB . 27964 1 414 . 1 1 155 155 GLU N N 15 122.944 0.0 . 1 . . . . . 155 GLU N . 27964 1 415 . 1 1 156 156 ASP H H 1 8.469 0.0 . 1 . . . . . 156 ASP H . 27964 1 416 . 1 1 156 156 ASP HA H 1 4.597 0.0 . 1 . . . . . 156 ASP HA . 27964 1 417 . 1 1 156 156 ASP C C 13 175.665 0.0 . 1 . . . . . 156 ASP C . 27964 1 418 . 1 1 156 156 ASP CA C 13 54.184 0.0 . 1 . . . . . 156 ASP CA . 27964 1 419 . 1 1 156 156 ASP CB C 13 40.926 0.0 . 1 . . . . . 156 ASP CB . 27964 1 420 . 1 1 156 156 ASP N N 15 122.394 0.0 . 1 . . . . . 156 ASP N . 27964 1 421 . 1 1 157 157 ILE H H 1 8.184 0.0 . 1 . . . . . 157 ILE H . 27964 1 422 . 1 1 157 157 ILE HA H 1 4.136 0.0 . 1 . . . . . 157 ILE HA . 27964 1 423 . 1 1 157 157 ILE C C 13 176.066 0.0 . 1 . . . . . 157 ILE C . 27964 1 424 . 1 1 157 157 ILE CA C 13 60.942 0.0 . 1 . . . . . 157 ILE CA . 27964 1 425 . 1 1 157 157 ILE CB C 13 38.786 0.0 . 1 . . . . . 157 ILE CB . 27964 1 426 . 1 1 157 157 ILE N N 15 122.099 0.0 . 1 . . . . . 157 ILE N . 27964 1 427 . 1 1 158 158 ILE H H 1 8.288 0.0 . 1 . . . . . 158 ILE H . 27964 1 428 . 1 1 158 158 ILE HA H 1 4.171 0.0 . 1 . . . . . 158 ILE HA . 27964 1 429 . 1 1 158 158 ILE C C 13 175.637 0.0 . 1 . . . . . 158 ILE C . 27964 1 430 . 1 1 158 158 ILE CA C 13 60.675 0.0 . 1 . . . . . 158 ILE CA . 27964 1 431 . 1 1 158 158 ILE CB C 13 38.896 0.0 . 1 . . . . . 158 ILE CB . 27964 1 432 . 1 1 158 158 ILE N N 15 126.307 0.0 . 1 . . . . . 158 ILE N . 27964 1 433 . 1 1 159 159 ASP H H 1 8.466 0.0 . 1 . . . . . 159 ASP H . 27964 1 434 . 1 1 159 159 ASP HA H 1 4.611 0.0 . 1 . . . . . 159 ASP HA . 27964 1 435 . 1 1 159 159 ASP C C 13 175.837 0.0 . 1 . . . . . 159 ASP C . 27964 1 436 . 1 1 159 159 ASP CA C 13 54.021 0.0 . 1 . . . . . 159 ASP CA . 27964 1 437 . 1 1 159 159 ASP CB C 13 41.006 0.0 . 1 . . . . . 159 ASP CB . 27964 1 438 . 1 1 159 159 ASP N N 15 125.684 0.0 . 1 . . . . . 159 ASP N . 27964 1 439 . 1 1 160 160 GLU H H 1 8.412 0.0 . 1 . . . . . 160 GLU H . 27964 1 440 . 1 1 160 160 GLU HA H 1 4.276 0.0 . 1 . . . . . 160 GLU HA . 27964 1 441 . 1 1 160 160 GLU C C 13 175.962 0.0 . 1 . . . . . 160 GLU C . 27964 1 442 . 1 1 160 160 GLU CA C 13 56.296 0.0 . 1 . . . . . 160 GLU CA . 27964 1 443 . 1 1 160 160 GLU N N 15 122.260 0.0 . 1 . . . . . 160 GLU N . 27964 1 444 . 1 1 161 161 ASP H H 1 8.429 0.0 . 1 . . . . . 161 ASP H . 27964 1 445 . 1 1 161 161 ASP HA H 1 4.608 0.0 . 1 . . . . . 161 ASP HA . 27964 1 446 . 1 1 161 161 ASP C C 13 175.801 0.0 . 1 . . . . . 161 ASP C . 27964 1 447 . 1 1 161 161 ASP CA C 13 54.183 0.0 . 1 . . . . . 161 ASP CA . 27964 1 448 . 1 1 161 161 ASP CB C 13 41.016 0.0 . 1 . . . . . 161 ASP CB . 27964 1 449 . 1 1 161 161 ASP N N 15 121.816 0.0 . 1 . . . . . 161 ASP N . 27964 1 450 . 1 1 162 162 ASP H H 1 8.326 0.0 . 1 . . . . . 162 ASP H . 27964 1 451 . 1 1 162 162 ASP HA H 1 4.563 0.0 . 1 . . . . . 162 ASP HA . 27964 1 452 . 1 1 162 162 ASP C C 13 176.138 0.0 . 1 . . . . . 162 ASP C . 27964 1 453 . 1 1 162 162 ASP CA C 13 54.163 0.0 . 1 . . . . . 162 ASP CA . 27964 1 454 . 1 1 162 162 ASP CB C 13 40.956 0.0 . 1 . . . . . 162 ASP CB . 27964 1 455 . 1 1 162 162 ASP N N 15 121.483 0.0 . 1 . . . . . 162 ASP N . 27964 1 456 . 1 1 163 163 GLU H H 1 8.287 0.0 . 1 . . . . . 163 GLU H . 27964 1 457 . 1 1 163 163 GLU HA H 1 4.204 0.0 . 1 . . . . . 163 GLU HA . 27964 1 458 . 1 1 163 163 GLU C C 13 175.726 0.0 . 1 . . . . . 163 GLU C . 27964 1 459 . 1 1 163 163 GLU CA C 13 56.332 0.0 . 1 . . . . . 163 GLU CA . 27964 1 460 . 1 1 163 163 GLU CB C 13 29.956 0.0 . 1 . . . . . 163 GLU CB . 27964 1 461 . 1 1 163 163 GLU N N 15 121.204 0.0 . 1 . . . . . 163 GLU N . 27964 1 462 . 1 1 164 164 ASP H H 1 8.288 0.0 . 1 . . . . . 164 ASP H . 27964 1 463 . 1 1 164 164 ASP HA H 1 4.587 0.0 . 1 . . . . . 164 ASP HA . 27964 1 464 . 1 1 164 164 ASP C C 13 175.542 0.0 . 1 . . . . . 164 ASP C . 27964 1 465 . 1 1 164 164 ASP CA C 13 53.845 0.0 . 1 . . . . . 164 ASP CA . 27964 1 466 . 1 1 164 164 ASP CB C 13 40.896 0.0 . 1 . . . . . 164 ASP CB . 27964 1 467 . 1 1 164 164 ASP N N 15 121.354 0.0 . 1 . . . . . 164 ASP N . 27964 1 468 . 1 1 165 165 TYR H H 1 8.099 0.0 . 1 . . . . . 165 TYR H . 27964 1 469 . 1 1 165 165 TYR HA H 1 4.531 0.0 . 1 . . . . . 165 TYR HA . 27964 1 470 . 1 1 165 165 TYR C C 13 175.401 0.0 . 1 . . . . . 165 TYR C . 27964 1 471 . 1 1 165 165 TYR CA C 13 57.753 0.0 . 1 . . . . . 165 TYR CA . 27964 1 472 . 1 1 165 165 TYR CB C 13 39.006 0.0 . 1 . . . . . 165 TYR CB . 27964 1 473 . 1 1 165 165 TYR N N 15 121.324 0.0 . 1 . . . . . 165 TYR N . 27964 1 474 . 1 1 166 166 ASP H H 1 8.296 0.0 . 1 . . . . . 166 ASP H . 27964 1 475 . 1 1 166 166 ASP HA H 1 4.590 0.0 . 1 . . . . . 166 ASP HA . 27964 1 476 . 1 1 166 166 ASP C C 13 175.462 0.0 . 1 . . . . . 166 ASP C . 27964 1 477 . 1 1 166 166 ASP CA C 13 53.960 0.0 . 1 . . . . . 166 ASP CA . 27964 1 478 . 1 1 166 166 ASP CB C 13 41.086 0.0 . 1 . . . . . 166 ASP CB . 27964 1 479 . 1 1 166 166 ASP N N 15 122.706 0.0 . 1 . . . . . 166 ASP N . 27964 1 480 . 1 1 167 167 ASP H H 1 8.234 0.0 . 1 . . . . . 167 ASP H . 27964 1 481 . 1 1 167 167 ASP HA H 1 4.558 0.0 . 1 . . . . . 167 ASP HA . 27964 1 482 . 1 1 167 167 ASP C C 13 176.183 0.0 . 1 . . . . . 167 ASP C . 27964 1 483 . 1 1 167 167 ASP CA C 13 54.206 0.0 . 1 . . . . . 167 ASP CA . 27964 1 484 . 1 1 167 167 ASP CB C 13 40.966 0.0 . 1 . . . . . 167 ASP CB . 27964 1 485 . 1 1 167 167 ASP N N 15 121.523 0.0 . 1 . . . . . 167 ASP N . 27964 1 486 . 1 1 168 168 GLU H H 1 8.287 0.0 . 1 . . . . . 168 GLU H . 27964 1 487 . 1 1 168 168 GLU HA H 1 4.253 0.0 . 1 . . . . . 168 GLU HA . 27964 1 488 . 1 1 168 168 GLU C C 13 176.516 0.0 . 1 . . . . . 168 GLU C . 27964 1 489 . 1 1 168 168 GLU CA C 13 56.593 0.0 . 1 . . . . . 168 GLU CA . 27964 1 490 . 1 1 168 168 GLU CB C 13 30.036 0.0 . 1 . . . . . 168 GLU CB . 27964 1 491 . 1 1 168 168 GLU N N 15 121.164 0.0 . 1 . . . . . 168 GLU N . 27964 1 492 . 1 1 169 169 GLU H H 1 8.359 0.0 . 1 . . . . . 169 GLU H . 27964 1 493 . 1 1 169 169 GLU HA H 1 4.248 0.0 . 1 . . . . . 169 GLU HA . 27964 1 494 . 1 1 169 169 GLU C C 13 176.394 0.0 . 1 . . . . . 169 GLU C . 27964 1 495 . 1 1 169 169 GLU CA C 13 56.473 0.0 . 1 . . . . . 169 GLU CA . 27964 1 496 . 1 1 169 169 GLU CB C 13 30.136 0.0 . 1 . . . . . 169 GLU CB . 27964 1 497 . 1 1 169 169 GLU N N 15 121.772 0.0 . 1 . . . . . 169 GLU N . 27964 1 498 . 1 1 170 170 GLU H H 1 8.358 0.0 . 1 . . . . . 170 GLU H . 27964 1 499 . 1 1 170 170 GLU HA H 1 4.244 0.0 . 1 . . . . . 170 GLU HA . 27964 1 500 . 1 1 170 170 GLU C C 13 176.250 0.0 . 1 . . . . . 170 GLU C . 27964 1 501 . 1 1 170 170 GLU CA C 13 56.432 0.0 . 1 . . . . . 170 GLU CA . 27964 1 502 . 1 1 170 170 GLU CB C 13 30.376 0.0 . 1 . . . . . 170 GLU CB . 27964 1 503 . 1 1 170 170 GLU N N 15 122.188 0.0 . 1 . . . . . 170 GLU N . 27964 1 504 . 1 1 171 171 GLU H H 1 8.401 0.0 . 1 . . . . . 171 GLU H . 27964 1 505 . 1 1 171 171 GLU HA H 1 4.251 0.0 . 1 . . . . . 171 GLU HA . 27964 1 506 . 1 1 171 171 GLU C C 13 176.040 0.0 . 1 . . . . . 171 GLU C . 27964 1 507 . 1 1 171 171 GLU CA C 13 56.437 0.0 . 1 . . . . . 171 GLU CA . 27964 1 508 . 1 1 171 171 GLU CB C 13 30.346 0.0 . 1 . . . . . 171 GLU CB . 27964 1 509 . 1 1 171 171 GLU N N 15 122.721 0.0 . 1 . . . . . 171 GLU N . 27964 1 510 . 1 1 172 172 ILE H H 1 8.284 0.0 . 1 . . . . . 172 ILE H . 27964 1 511 . 1 1 172 172 ILE C C 13 175.380 0.0 . 1 . . . . . 172 ILE C . 27964 1 512 . 1 1 172 172 ILE CA C 13 61.273 0.0 . 1 . . . . . 172 ILE CA . 27964 1 513 . 1 1 172 172 ILE N N 15 124.015 0.0 . 1 . . . . . 172 ILE N . 27964 1 stop_ save_