################################### # 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 27137 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.10 _Assigned_chem_shift_list.Chem_shift_15N_err 0.10 _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' . . . 27137 1 2 '3D CBCA(CO)NH' . . . 27137 1 3 '3D HNCACB' . . . 27137 1 4 '3D HNCO' . . . 27137 1 5 '3D HN(CO)CA' . . . 27137 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 SER CA C 13 58.112 0.100 . 1 . . . . . 2 SER CA . 27137 1 2 . 1 . 1 2 2 SER CB C 13 63.980 0.100 . 1 . . . . . 2 SER CB . 27137 1 3 . 1 . 1 3 3 ALA H H 1 8.425 0.010 . 1 . . . . . 3 ALA H . 27137 1 4 . 1 . 1 3 3 ALA HA H 1 4.366 0.010 . 1 . . . . . 3 ALA HA . 27137 1 5 . 1 . 1 3 3 ALA C C 13 174.084 0.100 . 1 . . . . . 3 ALA C . 27137 1 6 . 1 . 1 3 3 ALA CA C 13 52.511 0.100 . 1 . . . . . 3 ALA CA . 27137 1 7 . 1 . 1 3 3 ALA CB C 13 19.115 0.100 . 1 . . . . . 3 ALA CB . 27137 1 8 . 1 . 1 3 3 ALA N N 15 126.277 0.100 . 1 . . . . . 3 ALA N . 27137 1 9 . 1 . 1 4 4 LYS H H 1 8.286 0.010 . 1 . . . . . 4 LYS H . 27137 1 10 . 1 . 1 4 4 LYS HA H 1 4.287 0.010 . 1 . . . . . 4 LYS HA . 27137 1 11 . 1 . 1 4 4 LYS C C 13 177.550 0.100 . 1 . . . . . 4 LYS C . 27137 1 12 . 1 . 1 4 4 LYS CA C 13 56.344 0.100 . 1 . . . . . 4 LYS CA . 27137 1 13 . 1 . 1 4 4 LYS CB C 13 32.996 0.100 . 1 . . . . . 4 LYS CB . 27137 1 14 . 1 . 1 4 4 LYS N N 15 120.622 0.010 . 1 . . . . . 4 LYS N . 27137 1 15 . 1 . 1 5 5 ASN H H 1 8.416 0.010 . 1 . . . . . 5 ASN H . 27137 1 16 . 1 . 1 5 5 ASN HA H 1 4.809 0.010 . 1 . . . . . 5 ASN HA . 27137 1 17 . 1 . 1 5 5 ASN C C 13 176.168 0.100 . 1 . . . . . 5 ASN C . 27137 1 18 . 1 . 1 5 5 ASN CA C 13 53.180 0.100 . 1 . . . . . 5 ASN CA . 27137 1 19 . 1 . 1 5 5 ASN CB C 13 38.661 0.100 . 1 . . . . . 5 ASN CB . 27137 1 20 . 1 . 1 5 5 ASN N N 15 120.061 0.100 . 1 . . . . . 5 ASN N . 27137 1 21 . 1 . 1 6 6 THR H H 1 8.142 0.010 . 1 . . . . . 6 THR H . 27137 1 22 . 1 . 1 6 6 THR HA H 1 4.436 0.010 . 1 . . . . . 6 THR HA . 27137 1 23 . 1 . 1 6 6 THR C C 13 175.544 0.100 . 1 . . . . . 6 THR C . 27137 1 24 . 1 . 1 6 6 THR CA C 13 62.166 0.100 . 1 . . . . . 6 THR CA . 27137 1 25 . 1 . 1 6 6 THR CB C 13 69.596 0.100 . 1 . . . . . 6 THR CB . 27137 1 26 . 1 . 1 6 6 THR N N 15 114.378 0.100 . 1 . . . . . 6 THR N . 27137 1 27 . 1 . 1 7 7 SER H H 1 8.351 0.010 . 1 . . . . . 7 SER H . 27137 1 28 . 1 . 1 7 7 SER HA H 1 4.655 0.010 . 1 . . . . . 7 SER HA . 27137 1 29 . 1 . 1 7 7 SER C C 13 174.602 0.100 . 1 . . . . . 7 SER C . 27137 1 30 . 1 . 1 7 7 SER CA C 13 58.469 0.100 . 1 . . . . . 7 SER CA . 27137 1 31 . 1 . 1 7 7 SER CB C 13 63.795 0.100 . 1 . . . . . 7 SER CB . 27137 1 32 . 1 . 1 7 7 SER N N 15 116.747 0.100 . 1 . . . . . 7 SER N . 27137 1 33 . 1 . 1 8 8 CYS H H 1 8.105 0.010 . 1 . . . . . 8 CYS H . 27137 1 34 . 1 . 1 8 8 CYS HA H 1 4.709 0.010 . 1 . . . . . 8 CYS HA . 27137 1 35 . 1 . 1 8 8 CYS C C 13 173.397 0.100 . 1 . . . . . 8 CYS C . 27137 1 36 . 1 . 1 8 8 CYS CA C 13 59.302 0.100 . 1 . . . . . 8 CYS CA . 27137 1 37 . 1 . 1 8 8 CYS CB C 13 27.906 0.100 . 1 . . . . . 8 CYS CB . 27137 1 38 . 1 . 1 8 8 CYS N N 15 121.016 0.100 . 1 . . . . . 8 CYS N . 27137 1 39 . 1 . 1 9 9 GLY H H 1 8.646 0.010 . 1 . . . . . 9 GLY H . 27137 1 40 . 1 . 1 9 9 GLY C C 13 174.136 0.100 . 1 . . . . . 9 GLY C . 27137 1 41 . 1 . 1 9 9 GLY CA C 13 45.042 0.100 . 1 . . . . . 9 GLY CA . 27137 1 42 . 1 . 1 9 9 GLY N N 15 113.870 0.100 . 1 . . . . . 9 GLY N . 27137 1 43 . 1 . 1 10 10 VAL H H 1 8.739 0.010 . 1 . . . . . 10 VAL H . 27137 1 44 . 1 . 1 10 10 VAL HA H 1 5.064 0.010 . 1 . . . . . 10 VAL HA . 27137 1 45 . 1 . 1 10 10 VAL C C 13 173.460 0.100 . 1 . . . . . 10 VAL C . 27137 1 46 . 1 . 1 10 10 VAL CA C 13 60.451 0.100 . 1 . . . . . 10 VAL CA . 27137 1 47 . 1 . 1 10 10 VAL CB C 13 35.650 0.100 . 1 . . . . . 10 VAL CB . 27137 1 48 . 1 . 1 10 10 VAL N N 15 119.241 0.100 . 1 . . . . . 10 VAL N . 27137 1 49 . 1 . 1 11 11 GLN H H 1 9.248 0.010 . 1 . . . . . 11 GLN H . 27137 1 50 . 1 . 1 11 11 GLN HA H 1 5.165 0.010 . 1 . . . . . 11 GLN HA . 27137 1 51 . 1 . 1 11 11 GLN C C 13 171.752 0.100 . 1 . . . . . 11 GLN C . 27137 1 52 . 1 . 1 11 11 GLN CA C 13 53.943 0.100 . 1 . . . . . 11 GLN CA . 27137 1 53 . 1 . 1 11 11 GLN CB C 13 31.930 0.100 . 1 . . . . . 11 GLN CB . 27137 1 54 . 1 . 1 11 11 GLN N N 15 125.587 0.100 . 1 . . . . . 11 GLN N . 27137 1 55 . 1 . 1 12 12 LEU H H 1 9.791 0.010 . 1 . . . . . 12 LEU H . 27137 1 56 . 1 . 1 12 12 LEU HA H 1 5.589 0.010 . 1 . . . . . 12 LEU HA . 27137 1 57 . 1 . 1 12 12 LEU C C 13 173.770 0.100 . 1 . . . . . 12 LEU C . 27137 1 58 . 1 . 1 12 12 LEU CA C 13 52.242 0.100 . 1 . . . . . 12 LEU CA . 27137 1 59 . 1 . 1 12 12 LEU CB C 13 44.022 0.100 . 1 . . . . . 12 LEU CB . 27137 1 60 . 1 . 1 12 12 LEU N N 15 125.565 0.100 . 1 . . . . . 12 LEU N . 27137 1 61 . 1 . 1 13 13 ARG H H 1 9.053 0.010 . 1 . . . . . 13 ARG H . 27137 1 62 . 1 . 1 13 13 ARG HA H 1 5.062 0.010 . 1 . . . . . 13 ARG HA . 27137 1 63 . 1 . 1 13 13 ARG C C 13 175.689 0.100 . 1 . . . . . 13 ARG C . 27137 1 64 . 1 . 1 13 13 ARG CA C 13 55.588 0.100 . 1 . . . . . 13 ARG CA . 27137 1 65 . 1 . 1 13 13 ARG CB C 13 30.999 0.100 . 1 . . . . . 13 ARG CB . 27137 1 66 . 1 . 1 13 13 ARG N N 15 123.613 0.100 . 1 . . . . . 13 ARG N . 27137 1 67 . 1 . 1 14 14 ILE H H 1 9.454 0.010 . 1 . . . . . 14 ILE H . 27137 1 68 . 1 . 1 14 14 ILE HA H 1 4.991 0.010 . 1 . . . . . 14 ILE HA . 27137 1 69 . 1 . 1 14 14 ILE C C 13 175.556 0.100 . 1 . . . . . 14 ILE C . 27137 1 70 . 1 . 1 14 14 ILE CA C 13 61.117 0.100 . 1 . . . . . 14 ILE CA . 27137 1 71 . 1 . 1 14 14 ILE CB C 13 39.456 0.100 . 1 . . . . . 14 ILE CB . 27137 1 72 . 1 . 1 14 14 ILE N N 15 128.263 0.100 . 1 . . . . . 14 ILE N . 27137 1 73 . 1 . 1 15 15 ARG H H 1 8.637 0.010 . 1 . . . . . 15 ARG H . 27137 1 74 . 1 . 1 15 15 ARG HA H 1 4.988 0.010 . 1 . . . . . 15 ARG HA . 27137 1 75 . 1 . 1 15 15 ARG C C 13 174.406 0.100 . 1 . . . . . 15 ARG C . 27137 1 76 . 1 . 1 15 15 ARG CA C 13 54.092 0.100 . 1 . . . . . 15 ARG CA . 27137 1 77 . 1 . 1 15 15 ARG CB C 13 33.232 0.100 . 1 . . . . . 15 ARG CB . 27137 1 78 . 1 . 1 15 15 ARG N N 15 125.554 0.100 . 1 . . . . . 15 ARG N . 27137 1 79 . 1 . 1 16 16 GLY H H 1 8.864 0.010 . 1 . . . . . 16 GLY H . 27137 1 80 . 1 . 1 16 16 GLY HA2 H 1 4.617 0.010 . 1 . . . . . 16 GLY HA2 . 27137 1 81 . 1 . 1 16 16 GLY C C 13 175.512 0.100 . 1 . . . . . 16 GLY C . 27137 1 82 . 1 . 1 16 16 GLY CA C 13 45.296 0.100 . 1 . . . . . 16 GLY CA . 27137 1 83 . 1 . 1 16 16 GLY N N 15 109.507 0.100 . 1 . . . . . 16 GLY N . 27137 1 84 . 1 . 1 17 17 LYS H H 1 9.000 0.010 . 1 . . . . . 17 LYS H . 27137 1 85 . 1 . 1 17 17 LYS HA H 1 4.782 0.010 . 1 . . . . . 17 LYS HA . 27137 1 86 . 1 . 1 17 17 LYS C C 13 172.695 0.100 . 1 . . . . . 17 LYS C . 27137 1 87 . 1 . 1 17 17 LYS CA C 13 54.678 0.100 . 1 . . . . . 17 LYS CA . 27137 1 88 . 1 . 1 17 17 LYS CB C 13 31.771 0.100 . 1 . . . . . 17 LYS CB . 27137 1 89 . 1 . 1 17 17 LYS N N 15 128.558 0.100 . 1 . . . . . 17 LYS N . 27137 1 90 . 1 . 1 18 18 VAL H H 1 7.544 0.010 . 1 . . . . . 18 VAL H . 27137 1 91 . 1 . 1 18 18 VAL HA H 1 4.026 0.010 . 1 . . . . . 18 VAL HA . 27137 1 92 . 1 . 1 18 18 VAL C C 13 176.453 0.100 . 1 . . . . . 18 VAL C . 27137 1 93 . 1 . 1 18 18 VAL CA C 13 59.815 0.100 . 1 . . . . . 18 VAL CA . 27137 1 94 . 1 . 1 18 18 VAL CB C 13 32.242 0.100 . 1 . . . . . 18 VAL CB . 27137 1 95 . 1 . 1 18 18 VAL N N 15 112.788 0.100 . 1 . . . . . 18 VAL N . 27137 1 96 . 1 . 1 25 25 PRO CA C 13 66.369 0.100 . 1 . . . . . 25 PRO CA . 27137 1 97 . 1 . 1 25 25 PRO CB C 13 30.684 0.100 . 1 . . . . . 25 PRO CB . 27137 1 98 . 1 . 1 26 26 PHE H H 1 7.218 0.010 . 1 . . . . . 26 PHE H . 27137 1 99 . 1 . 1 26 26 PHE C C 13 178.070 0.100 . 1 . . . . . 26 PHE C . 27137 1 100 . 1 . 1 26 26 PHE CA C 13 60.112 0.100 . 1 . . . . . 26 PHE CA . 27137 1 101 . 1 . 1 26 26 PHE CB C 13 37.863 0.100 . 1 . . . . . 26 PHE CB . 27137 1 102 . 1 . 1 26 26 PHE N N 15 119.455 0.100 . 1 . . . . . 26 PHE N . 27137 1 103 . 1 . 1 27 27 VAL H H 1 7.909 0.010 . 1 . . . . . 27 VAL H . 27137 1 104 . 1 . 1 27 27 VAL C C 13 175.777 0.100 . 1 . . . . . 27 VAL C . 27137 1 105 . 1 . 1 27 27 VAL CA C 13 66.957 0.100 . 1 . . . . . 27 VAL CA . 27137 1 106 . 1 . 1 27 27 VAL CB C 13 31.095 0.100 . 1 . . . . . 27 VAL CB . 27137 1 107 . 1 . 1 27 27 VAL N N 15 120.260 0.100 . 1 . . . . . 27 VAL N . 27137 1 108 . 1 . 1 28 28 TRP H H 1 8.461 0.010 . 1 . . . . . 28 TRP H . 27137 1 109 . 1 . 1 28 28 TRP HA H 1 3.878 0.010 . 1 . . . . . 28 TRP HA . 27137 1 110 . 1 . 1 28 28 TRP C C 13 176.580 0.100 . 1 . . . . . 28 TRP C . 27137 1 111 . 1 . 1 28 28 TRP CA C 13 61.930 0.100 . 1 . . . . . 28 TRP CA . 27137 1 112 . 1 . 1 28 28 TRP CB C 13 29.173 0.100 . 1 . . . . . 28 TRP CB . 27137 1 113 . 1 . 1 28 28 TRP N N 15 118.514 0.100 . 1 . . . . . 28 TRP N . 27137 1 114 . 1 . 1 29 29 GLN H H 1 8.453 0.010 . 1 . . . . . 29 GLN H . 27137 1 115 . 1 . 1 29 29 GLN HA H 1 3.570 0.010 . 1 . . . . . 29 GLN HA . 27137 1 116 . 1 . 1 29 29 GLN C C 13 176.977 0.100 . 1 . . . . . 29 GLN C . 27137 1 117 . 1 . 1 29 29 GLN CA C 13 59.200 0.100 . 1 . . . . . 29 GLN CA . 27137 1 118 . 1 . 1 29 29 GLN CB C 13 27.991 0.100 . 1 . . . . . 29 GLN CB . 27137 1 119 . 1 . 1 29 29 GLN N N 15 119.147 0.100 . 1 . . . . . 29 GLN N . 27137 1 120 . 1 . 1 30 30 LEU H H 1 7.807 0.010 . 1 . . . . . 30 LEU H . 27137 1 121 . 1 . 1 30 30 LEU HA H 1 3.736 0.010 . 1 . . . . . 30 LEU HA . 27137 1 122 . 1 . 1 30 30 LEU C C 13 178.664 0.100 . 1 . . . . . 30 LEU C . 27137 1 123 . 1 . 1 30 30 LEU CA C 13 57.560 0.100 . 1 . . . . . 30 LEU CA . 27137 1 124 . 1 . 1 30 30 LEU CB C 13 41.598 0.100 . 1 . . . . . 30 LEU CB . 27137 1 125 . 1 . 1 30 30 LEU N N 15 121.397 0.100 . 1 . . . . . 30 LEU N . 27137 1 126 . 1 . 1 31 31 ALA H H 1 8.028 0.010 . 1 . . . . . 31 ALA H . 27137 1 127 . 1 . 1 31 31 ALA HA H 1 3.295 0.010 . 1 . . . . . 31 ALA HA . 27137 1 128 . 1 . 1 31 31 ALA C C 13 178.136 0.100 . 1 . . . . . 31 ALA C . 27137 1 129 . 1 . 1 31 31 ALA CA C 13 54.916 0.100 . 1 . . . . . 31 ALA CA . 27137 1 130 . 1 . 1 31 31 ALA CB C 13 16.394 0.100 . 1 . . . . . 31 ALA CB . 27137 1 131 . 1 . 1 31 31 ALA N N 15 119.481 0.100 . 1 . . . . . 31 ALA N . 27137 1 132 . 1 . 1 32 32 GLN H H 1 7.567 0.010 . 1 . . . . . 32 GLN H . 27137 1 133 . 1 . 1 32 32 GLN HA H 1 3.783 0.010 . 1 . . . . . 32 GLN HA . 27137 1 134 . 1 . 1 32 32 GLN C C 13 179.740 0.100 . 1 . . . . . 32 GLN C . 27137 1 135 . 1 . 1 32 32 GLN CA C 13 57.697 0.100 . 1 . . . . . 32 GLN CA . 27137 1 136 . 1 . 1 32 32 GLN CB C 13 27.506 0.100 . 1 . . . . . 32 GLN CB . 27137 1 137 . 1 . 1 32 32 GLN N N 15 115.174 0.100 . 1 . . . . . 32 GLN N . 27137 1 138 . 1 . 1 33 33 GLN H H 1 7.634 0.010 . 1 . . . . . 33 GLN H . 27137 1 139 . 1 . 1 33 33 GLN HA H 1 3.881 0.010 . 1 . . . . . 33 GLN HA . 27137 1 140 . 1 . 1 33 33 GLN C C 13 175.290 0.100 . 1 . . . . . 33 GLN C . 27137 1 141 . 1 . 1 33 33 GLN CA C 13 58.283 0.100 . 1 . . . . . 33 GLN CA . 27137 1 142 . 1 . 1 33 33 GLN CB C 13 28.108 0.100 . 1 . . . . . 33 GLN CB . 27137 1 143 . 1 . 1 33 33 GLN N N 15 119.616 0.100 . 1 . . . . . 33 GLN N . 27137 1 144 . 1 . 1 34 34 LEU H H 1 7.511 0.010 . 1 . . . . . 34 LEU H . 27137 1 145 . 1 . 1 34 34 LEU HA H 1 3.319 0.010 . 1 . . . . . 34 LEU HA . 27137 1 146 . 1 . 1 34 34 LEU C C 13 177.658 0.100 . 1 . . . . . 34 LEU C . 27137 1 147 . 1 . 1 34 34 LEU CA C 13 54.100 0.100 . 1 . . . . . 34 LEU CA . 27137 1 148 . 1 . 1 34 34 LEU CB C 13 42.173 0.100 . 1 . . . . . 34 LEU CB . 27137 1 149 . 1 . 1 34 34 LEU N N 15 116.447 0.100 . 1 . . . . . 34 LEU N . 27137 1 150 . 1 . 1 35 35 ASN H H 1 7.479 0.010 . 1 . . . . . 35 ASN H . 27137 1 151 . 1 . 1 35 35 ASN HA H 1 4.138 0.010 . 1 . . . . . 35 ASN HA . 27137 1 152 . 1 . 1 35 35 ASN C C 13 175.073 0.100 . 1 . . . . . 35 ASN C . 27137 1 153 . 1 . 1 35 35 ASN CA C 13 53.972 0.100 . 1 . . . . . 35 ASN CA . 27137 1 154 . 1 . 1 35 35 ASN CB C 13 36.775 0.100 . 1 . . . . . 35 ASN CB . 27137 1 155 . 1 . 1 35 35 ASN N N 15 117.249 0.100 . 1 . . . . . 35 ASN N . 27137 1 156 . 1 . 1 36 36 LEU H H 1 7.557 0.010 . 1 . . . . . 36 LEU H . 27137 1 157 . 1 . 1 36 36 LEU HA H 1 4.369 0.010 . 1 . . . . . 36 LEU HA . 27137 1 158 . 1 . 1 36 36 LEU C C 13 173.003 0.100 . 1 . . . . . 36 LEU C . 27137 1 159 . 1 . 1 36 36 LEU CA C 13 52.682 0.100 . 1 . . . . . 36 LEU CA . 27137 1 160 . 1 . 1 36 36 LEU CB C 13 42.498 0.100 . 1 . . . . . 36 LEU CB . 27137 1 161 . 1 . 1 36 36 LEU N N 15 114.556 0.100 . 1 . . . . . 36 LEU N . 27137 1 162 . 1 . 1 37 37 HIS H H 1 10.065 0.010 . 1 . . . . . 37 HIS H . 27137 1 163 . 1 . 1 37 37 HIS HA H 1 4.561 0.010 . 1 . . . . . 37 HIS HA . 27137 1 164 . 1 . 1 37 37 HIS C C 13 176.146 0.100 . 1 . . . . . 37 HIS C . 27137 1 165 . 1 . 1 37 37 HIS CA C 13 55.581 0.100 . 1 . . . . . 37 HIS CA . 27137 1 166 . 1 . 1 37 37 HIS CB C 13 30.695 0.100 . 1 . . . . . 37 HIS CB . 27137 1 167 . 1 . 1 37 37 HIS N N 15 116.462 0.100 . 1 . . . . . 37 HIS N . 27137 1 168 . 1 . 1 38 38 GLY H H 1 8.671 0.010 . 1 . . . . . 38 GLY H . 27137 1 169 . 1 . 1 38 38 GLY C C 13 172.670 0.100 . 1 . . . . . 38 GLY C . 27137 1 170 . 1 . 1 38 38 GLY CA C 13 44.965 0.100 . 1 . . . . . 38 GLY CA . 27137 1 171 . 1 . 1 38 38 GLY N N 15 110.900 0.100 . 1 . . . . . 38 GLY N . 27137 1 172 . 1 . 1 39 39 ASP H H 1 9.275 0.010 . 1 . . . . . 39 ASP H . 27137 1 173 . 1 . 1 39 39 ASP HA H 1 4.496 0.010 . 1 . . . . . 39 ASP HA . 27137 1 174 . 1 . 1 39 39 ASP C C 13 171.363 0.100 . 1 . . . . . 39 ASP C . 27137 1 175 . 1 . 1 39 39 ASP CA C 13 52.938 0.100 . 1 . . . . . 39 ASP CA . 27137 1 176 . 1 . 1 39 39 ASP CB C 13 44.061 0.100 . 1 . . . . . 39 ASP CB . 27137 1 177 . 1 . 1 39 39 ASP N N 15 121.729 0.100 . 1 . . . . . 39 ASP N . 27137 1 178 . 1 . 1 40 40 VAL H H 1 7.811 0.010 . 1 . . . . . 40 VAL H . 27137 1 179 . 1 . 1 40 40 VAL HA H 1 5.718 0.010 . 1 . . . . . 40 VAL HA . 27137 1 180 . 1 . 1 40 40 VAL C C 13 173.455 0.100 . 1 . . . . . 40 VAL C . 27137 1 181 . 1 . 1 40 40 VAL CA C 13 58.133 0.100 . 1 . . . . . 40 VAL CA . 27137 1 182 . 1 . 1 40 40 VAL CB C 13 34.857 0.100 . 1 . . . . . 40 VAL CB . 27137 1 183 . 1 . 1 40 40 VAL N N 15 113.518 0.100 . 1 . . . . . 40 VAL N . 27137 1 184 . 1 . 1 41 41 CYS H H 1 8.759 0.010 . 1 . . . . . 41 CYS H . 27137 1 185 . 1 . 1 41 41 CYS HA H 1 5.023 0.010 . 1 . . . . . 41 CYS HA . 27137 1 186 . 1 . 1 41 41 CYS C C 13 171.206 0.100 . 1 . . . . . 41 CYS C . 27137 1 187 . 1 . 1 41 41 CYS CA C 13 56.016 0.100 . 1 . . . . . 41 CYS CA . 27137 1 188 . 1 . 1 41 41 CYS CB C 13 32.323 0.100 . 1 . . . . . 41 CYS CB . 27137 1 189 . 1 . 1 41 41 CYS N N 15 121.613 0.100 . 1 . . . . . 41 CYS N . 27137 1 190 . 1 . 1 42 42 ASN H H 1 9.156 0.010 . 1 . . . . . 42 ASN H . 27137 1 191 . 1 . 1 42 42 ASN HA H 1 5.294 0.010 . 1 . . . . . 42 ASN HA . 27137 1 192 . 1 . 1 42 42 ASN C C 13 173.157 0.100 . 1 . . . . . 42 ASN C . 27137 1 193 . 1 . 1 42 42 ASN CA C 13 53.411 0.100 . 1 . . . . . 42 ASN CA . 27137 1 194 . 1 . 1 42 42 ASN CB C 13 38.525 0.100 . 1 . . . . . 42 ASN CB . 27137 1 195 . 1 . 1 42 42 ASN N N 15 121.858 0.100 . 1 . . . . . 42 ASN N . 27137 1 196 . 1 . 1 43 43 ASP H H 1 8.099 0.010 . 1 . . . . . 43 ASP H . 27137 1 197 . 1 . 1 43 43 ASP HA H 1 4.764 0.010 . 1 . . . . . 43 ASP HA . 27137 1 198 . 1 . 1 43 43 ASP C C 13 175.073 0.100 . 1 . . . . . 43 ASP C . 27137 1 199 . 1 . 1 43 43 ASP CA C 13 53.425 0.100 . 1 . . . . . 43 ASP CA . 27137 1 200 . 1 . 1 43 43 ASP CB C 13 43.221 0.100 . 1 . . . . . 43 ASP CB . 27137 1 201 . 1 . 1 43 43 ASP N N 15 122.751 0.100 . 1 . . . . . 43 ASP N . 27137 1 202 . 1 . 1 44 44 GLY H H 1 8.800 0.010 . 1 . . . . . 44 GLY H . 27137 1 203 . 1 . 1 44 44 GLY HA2 H 1 3.708 0.010 . 1 . . . . . 44 GLY HA2 . 27137 1 204 . 1 . 1 44 44 GLY HA3 H 1 3.993 0.010 . 1 . . . . . 44 GLY HA3 . 27137 1 205 . 1 . 1 44 44 GLY C C 13 175.348 0.100 . 1 . . . . . 44 GLY C . 27137 1 206 . 1 . 1 44 44 GLY CA C 13 46.992 0.100 . 1 . . . . . 44 GLY CA . 27137 1 207 . 1 . 1 44 44 GLY N N 15 115.033 0.100 . 1 . . . . . 44 GLY N . 27137 1 208 . 1 . 1 45 45 ASP H H 1 8.538 0.010 . 1 . . . . . 45 ASP H . 27137 1 209 . 1 . 1 45 45 ASP HA H 1 4.762 0.010 . 1 . . . . . 45 ASP HA . 27137 1 210 . 1 . 1 45 45 ASP C C 13 174.852 0.100 . 1 . . . . . 45 ASP C . 27137 1 211 . 1 . 1 45 45 ASP CA C 13 53.960 0.100 . 1 . . . . . 45 ASP CA . 27137 1 212 . 1 . 1 45 45 ASP CB C 13 40.606 0.100 . 1 . . . . . 45 ASP CB . 27137 1 213 . 1 . 1 45 45 ASP N N 15 125.176 0.100 . 1 . . . . . 45 ASP N . 27137 1 214 . 1 . 1 46 46 GLY H H 1 8.116 0.010 . 1 . . . . . 46 GLY H . 27137 1 215 . 1 . 1 46 46 GLY HA2 H 1 4.109 0.010 . 1 . . . . . 46 GLY HA2 . 27137 1 216 . 1 . 1 46 46 GLY C C 13 176.166 0.100 . 1 . . . . . 46 GLY C . 27137 1 217 . 1 . 1 46 46 GLY CA C 13 44.630 0.100 . 1 . . . . . 46 GLY CA . 27137 1 218 . 1 . 1 46 46 GLY N N 15 109.963 0.100 . 1 . . . . . 46 GLY N . 27137 1 219 . 1 . 1 47 47 VAL H H 1 8.666 0.010 . 1 . . . . . 47 VAL H . 27137 1 220 . 1 . 1 47 47 VAL HA H 1 5.178 0.010 . 1 . . . . . 47 VAL HA . 27137 1 221 . 1 . 1 47 47 VAL C C 13 173.031 0.100 . 1 . . . . . 47 VAL C . 27137 1 222 . 1 . 1 47 47 VAL CA C 13 60.745 0.100 . 1 . . . . . 47 VAL CA . 27137 1 223 . 1 . 1 47 47 VAL CB C 13 36.474 0.100 . 1 . . . . . 47 VAL CB . 27137 1 224 . 1 . 1 47 47 VAL N N 15 121.030 0.100 . 1 . . . . . 47 VAL N . 27137 1 225 . 1 . 1 48 48 GLU H H 1 9.121 0.010 . 1 . . . . . 48 GLU H . 27137 1 226 . 1 . 1 48 48 GLU HA H 1 5.652 0.010 . 1 . . . . . 48 GLU HA . 27137 1 227 . 1 . 1 48 48 GLU C C 13 173.629 0.100 . 1 . . . . . 48 GLU C . 27137 1 228 . 1 . 1 48 48 GLU CA C 13 54.034 0.100 . 1 . . . . . 48 GLU CA . 27137 1 229 . 1 . 1 48 48 GLU CB C 13 31.974 0.100 . 1 . . . . . 48 GLU CB . 27137 1 230 . 1 . 1 48 48 GLU N N 15 126.422 0.100 . 1 . . . . . 48 GLU N . 27137 1 231 . 1 . 1 49 49 VAL H H 1 9.489 0.010 . 1 . . . . . 49 VAL H . 27137 1 232 . 1 . 1 49 49 VAL HA H 1 5.190 0.010 . 1 . . . . . 49 VAL HA . 27137 1 233 . 1 . 1 49 49 VAL C C 13 175.533 0.100 . 1 . . . . . 49 VAL C . 27137 1 234 . 1 . 1 49 49 VAL CA C 13 60.491 0.100 . 1 . . . . . 49 VAL CA . 27137 1 235 . 1 . 1 49 49 VAL CB C 13 34.951 0.100 . 1 . . . . . 49 VAL CB . 27137 1 236 . 1 . 1 49 49 VAL N N 15 128.698 0.100 . 1 . . . . . 49 VAL N . 27137 1 237 . 1 . 1 50 50 ARG H H 1 9.265 0.010 . 1 . . . . . 50 ARG H . 27137 1 238 . 1 . 1 50 50 ARG HA H 1 5.485 0.010 . 1 . . . . . 50 ARG HA . 27137 1 239 . 1 . 1 50 50 ARG C C 13 174.123 0.100 . 1 . . . . . 50 ARG C . 27137 1 240 . 1 . 1 50 50 ARG CA C 13 55.123 0.100 . 1 . . . . . 50 ARG CA . 27137 1 241 . 1 . 1 50 50 ARG CB C 13 32.501 0.100 . 1 . . . . . 50 ARG CB . 27137 1 242 . 1 . 1 50 50 ARG N N 15 127.267 0.100 . 1 . . . . . 50 ARG N . 27137 1 243 . 1 . 1 51 51 LEU H H 1 9.175 0.010 . 1 . . . . . 51 LEU H . 27137 1 244 . 1 . 1 51 51 LEU HA H 1 5.911 0.010 . 1 . . . . . 51 LEU HA . 27137 1 245 . 1 . 1 51 51 LEU C C 13 175.617 0.100 . 1 . . . . . 51 LEU C . 27137 1 246 . 1 . 1 51 51 LEU CA C 13 53.141 0.100 . 1 . . . . . 51 LEU CA . 27137 1 247 . 1 . 1 51 51 LEU CB C 13 47.511 0.100 . 1 . . . . . 51 LEU CB . 27137 1 248 . 1 . 1 51 51 LEU N N 15 119.680 0.100 . 1 . . . . . 51 LEU N . 27137 1 249 . 1 . 1 52 52 ARG H H 1 8.600 0.010 . 1 . . . . . 52 ARG H . 27137 1 250 . 1 . 1 52 52 ARG HA H 1 4.620 0.010 . 1 . . . . . 52 ARG HA . 27137 1 251 . 1 . 1 52 52 ARG C C 13 178.896 0.100 . 1 . . . . . 52 ARG C . 27137 1 252 . 1 . 1 52 52 ARG CA C 13 57.933 0.100 . 1 . . . . . 52 ARG CA . 27137 1 253 . 1 . 1 52 52 ARG CB C 13 31.333 0.100 . 1 . . . . . 52 ARG CB . 27137 1 254 . 1 . 1 52 52 ARG N N 15 122.404 0.100 . 1 . . . . . 52 ARG N . 27137 1 255 . 1 . 1 53 53 GLU H H 1 8.024 0.010 . 1 . . . . . 53 GLU H . 27137 1 256 . 1 . 1 53 53 GLU HA H 1 4.310 0.010 . 1 . . . . . 53 GLU HA . 27137 1 257 . 1 . 1 53 53 GLU C C 13 175.071 0.100 . 1 . . . . . 53 GLU C . 27137 1 258 . 1 . 1 53 53 GLU CA C 13 58.087 0.100 . 1 . . . . . 53 GLU CA . 27137 1 259 . 1 . 1 53 53 GLU CB C 13 30.049 0.100 . 1 . . . . . 53 GLU CB . 27137 1 260 . 1 . 1 53 53 GLU N N 15 119.998 0.100 . 1 . . . . . 53 GLU N . 27137 1 261 . 1 . 1 54 54 ASP H H 1 7.932 0.010 . 1 . . . . . 54 ASP H . 27137 1 262 . 1 . 1 54 54 ASP HA H 1 4.719 0.010 . 1 . . . . . 54 ASP HA . 27137 1 263 . 1 . 1 54 54 ASP C C 13 174.420 0.100 . 1 . . . . . 54 ASP C . 27137 1 264 . 1 . 1 54 54 ASP CA C 13 52.257 0.100 . 1 . . . . . 54 ASP CA . 27137 1 265 . 1 . 1 54 54 ASP CB C 13 42.040 0.100 . 1 . . . . . 54 ASP CB . 27137 1 266 . 1 . 1 54 54 ASP N N 15 117.608 0.100 . 1 . . . . . 54 ASP N . 27137 1 267 . 1 . 1 55 55 PRO CA C 13 63.503 0.100 . 1 . . . . . 55 PRO CA . 27137 1 268 . 1 . 1 55 55 PRO CB C 13 33.102 0.100 . 1 . . . . . 55 PRO CB . 27137 1 269 . 1 . 1 56 56 GLU H H 1 8.520 0.010 . 1 . . . . . 56 GLU H . 27137 1 270 . 1 . 1 56 56 GLU HA H 1 4.002 0.010 . 1 . . . . . 56 GLU HA . 27137 1 271 . 1 . 1 56 56 GLU C C 13 179.100 0.100 . 1 . . . . . 56 GLU C . 27137 1 272 . 1 . 1 56 56 GLU CA C 13 61.752 0.100 . 1 . . . . . 56 GLU CA . 27137 1 273 . 1 . 1 56 56 GLU CB C 13 28.568 0.100 . 1 . . . . . 56 GLU CB . 27137 1 274 . 1 . 1 56 56 GLU N N 15 123.370 0.100 . 1 . . . . . 56 GLU N . 27137 1 275 . 1 . 1 57 57 THR H H 1 8.435 0.010 . 1 . . . . . 57 THR H . 27137 1 276 . 1 . 1 57 57 THR HA H 1 4.025 0.010 . 1 . . . . . 57 THR HA . 27137 1 277 . 1 . 1 57 57 THR C C 13 178.459 0.100 . 1 . . . . . 57 THR C . 27137 1 278 . 1 . 1 57 57 THR CA C 13 66.544 0.100 . 1 . . . . . 57 THR CA . 27137 1 279 . 1 . 1 57 57 THR CB C 13 67.945 0.100 . 1 . . . . . 57 THR CB . 27137 1 280 . 1 . 1 57 57 THR N N 15 115.034 0.100 . 1 . . . . . 57 THR N . 27137 1 281 . 1 . 1 58 58 PHE H H 1 8.526 0.010 . 1 . . . . . 58 PHE H . 27137 1 282 . 1 . 1 58 58 PHE HA H 1 3.733 0.010 . 1 . . . . . 58 PHE HA . 27137 1 283 . 1 . 1 58 58 PHE C C 13 175.891 0.100 . 1 . . . . . 58 PHE C . 27137 1 284 . 1 . 1 58 58 PHE CA C 13 61.632 0.100 . 1 . . . . . 58 PHE CA . 27137 1 285 . 1 . 1 58 58 PHE CB C 13 38.184 0.100 . 1 . . . . . 58 PHE CB . 27137 1 286 . 1 . 1 58 58 PHE N N 15 122.780 0.100 . 1 . . . . . 58 PHE N . 27137 1 287 . 1 . 1 59 59 LEU H H 1 8.513 0.010 . 1 . . . . . 59 LEU H . 27137 1 288 . 1 . 1 59 59 LEU HA H 1 3.707 0.010 . 1 . . . . . 59 LEU HA . 27137 1 289 . 1 . 1 59 59 LEU C C 13 175.474 0.100 . 1 . . . . . 59 LEU C . 27137 1 290 . 1 . 1 59 59 LEU CA C 13 58.022 0.100 . 1 . . . . . 59 LEU CA . 27137 1 291 . 1 . 1 59 59 LEU CB C 13 41.621 0.100 . 1 . . . . . 59 LEU CB . 27137 1 292 . 1 . 1 59 59 LEU N N 15 117.631 0.100 . 1 . . . . . 59 LEU N . 27137 1 293 . 1 . 1 60 60 VAL H H 1 7.563 0.010 . 1 . . . . . 60 VAL H . 27137 1 294 . 1 . 1 60 60 VAL HA H 1 3.715 0.010 . 1 . . . . . 60 VAL HA . 27137 1 295 . 1 . 1 60 60 VAL C C 13 178.278 0.100 . 1 . . . . . 60 VAL C . 27137 1 296 . 1 . 1 60 60 VAL CA C 13 66.694 0.100 . 1 . . . . . 60 VAL CA . 27137 1 297 . 1 . 1 60 60 VAL CB C 13 31.657 0.100 . 1 . . . . . 60 VAL CB . 27137 1 298 . 1 . 1 60 60 VAL N N 15 117.734 0.100 . 1 . . . . . 60 VAL N . 27137 1 299 . 1 . 1 61 61 GLN H H 1 7.750 0.010 . 1 . . . . . 61 GLN H . 27137 1 300 . 1 . 1 61 61 GLN HA H 1 4.069 0.010 . 1 . . . . . 61 GLN HA . 27137 1 301 . 1 . 1 61 61 GLN C C 13 179.406 0.100 . 1 . . . . . 61 GLN C . 27137 1 302 . 1 . 1 61 61 GLN CA C 13 58.428 0.100 . 1 . . . . . 61 GLN CA . 27137 1 303 . 1 . 1 61 61 GLN CB C 13 28.413 0.100 . 1 . . . . . 61 GLN CB . 27137 1 304 . 1 . 1 61 61 GLN N N 15 117.156 0.100 . 1 . . . . . 61 GLN N . 27137 1 305 . 1 . 1 62 62 LEU H H 1 8.596 0.010 . 1 . . . . . 62 LEU H . 27137 1 306 . 1 . 1 62 62 LEU C C 13 177.573 0.100 . 1 . . . . . 62 LEU C . 27137 1 307 . 1 . 1 62 62 LEU CA C 13 58.158 0.100 . 1 . . . . . 62 LEU CA . 27137 1 308 . 1 . 1 62 62 LEU CB C 13 41.797 0.100 . 1 . . . . . 62 LEU CB . 27137 1 309 . 1 . 1 62 62 LEU N N 15 122.810 0.100 . 1 . . . . . 62 LEU N . 27137 1 310 . 1 . 1 64 64 GLN H H 1 7.938 0.010 . 1 . . . . . 64 GLN H . 27137 1 311 . 1 . 1 64 64 GLN HA H 1 3.979 0.010 . 1 . . . . . 64 GLN HA . 27137 1 312 . 1 . 1 64 64 GLN C C 13 179.608 0.100 . 1 . . . . . 64 GLN C . 27137 1 313 . 1 . 1 64 64 GLN CA C 13 58.396 0.100 . 1 . . . . . 64 GLN CA . 27137 1 314 . 1 . 1 64 64 GLN CB C 13 29.127 0.100 . 1 . . . . . 64 GLN CB . 27137 1 315 . 1 . 1 64 64 GLN N N 15 116.529 0.100 . 1 . . . . . 64 GLN N . 27137 1 316 . 1 . 1 65 65 HIS H H 1 8.038 0.010 . 1 . . . . . 65 HIS H . 27137 1 317 . 1 . 1 65 65 HIS HA H 1 4.789 0.010 . 1 . . . . . 65 HIS HA . 27137 1 318 . 1 . 1 65 65 HIS C C 13 177.496 0.100 . 1 . . . . . 65 HIS C . 27137 1 319 . 1 . 1 65 65 HIS CA C 13 54.527 0.100 . 1 . . . . . 65 HIS CA . 27137 1 320 . 1 . 1 65 65 HIS CB C 13 28.612 0.100 . 1 . . . . . 65 HIS CB . 27137 1 321 . 1 . 1 65 65 HIS N N 15 112.448 0.100 . 1 . . . . . 65 HIS N . 27137 1 322 . 1 . 1 66 66 CYS H H 1 6.867 0.010 . 1 . . . . . 66 CYS H . 27137 1 323 . 1 . 1 66 66 CYS C C 13 171.654 0.100 . 1 . . . . . 66 CYS C . 27137 1 324 . 1 . 1 66 66 CYS CA C 13 58.022 0.100 . 1 . . . . . 66 CYS CA . 27137 1 325 . 1 . 1 66 66 CYS CB C 13 27.174 0.100 . 1 . . . . . 66 CYS CB . 27137 1 326 . 1 . 1 66 66 CYS N N 15 121.827 0.100 . 1 . . . . . 66 CYS N . 27137 1 327 . 1 . 1 69 69 LEU H H 1 7.914 0.010 . 1 . . . . . 69 LEU H . 27137 1 328 . 1 . 1 69 69 LEU HA H 1 4.279 0.010 . 1 . . . . . 69 LEU HA . 27137 1 329 . 1 . 1 69 69 LEU C C 13 177.387 0.100 . 1 . . . . . 69 LEU C . 27137 1 330 . 1 . 1 69 69 LEU CA C 13 55.499 0.100 . 1 . . . . . 69 LEU CA . 27137 1 331 . 1 . 1 69 69 LEU CB C 13 40.834 0.100 . 1 . . . . . 69 LEU CB . 27137 1 332 . 1 . 1 69 69 LEU N N 15 115.061 0.100 . 1 . . . . . 69 LEU N . 27137 1 333 . 1 . 1 70 70 ALA H H 1 7.874 0.010 . 1 . . . . . 70 ALA H . 27137 1 334 . 1 . 1 70 70 ALA HA H 1 4.881 0.010 . 1 . . . . . 70 ALA HA . 27137 1 335 . 1 . 1 70 70 ALA C C 13 176.219 0.100 . 1 . . . . . 70 ALA C . 27137 1 336 . 1 . 1 70 70 ALA CA C 13 50.111 0.100 . 1 . . . . . 70 ALA CA . 27137 1 337 . 1 . 1 70 70 ALA CB C 13 22.194 0.100 . 1 . . . . . 70 ALA CB . 27137 1 338 . 1 . 1 70 70 ALA N N 15 121.857 0.100 . 1 . . . . . 70 ALA N . 27137 1 339 . 1 . 1 71 71 ARG H H 1 7.625 0.010 . 1 . . . . . 71 ARG H . 27137 1 340 . 1 . 1 71 71 ARG HA H 1 4.780 0.010 . 1 . . . . . 71 ARG HA . 27137 1 341 . 1 . 1 71 71 ARG C C 13 175.214 0.100 . 1 . . . . . 71 ARG C . 27137 1 342 . 1 . 1 71 71 ARG CA C 13 56.089 0.100 . 1 . . . . . 71 ARG CA . 27137 1 343 . 1 . 1 71 71 ARG CB C 13 33.560 0.100 . 1 . . . . . 71 ARG CB . 27137 1 344 . 1 . 1 71 71 ARG N N 15 118.850 0.100 . 1 . . . . . 71 ARG N . 27137 1 345 . 1 . 1 72 72 ILE H H 1 8.934 0.010 . 1 . . . . . 72 ILE H . 27137 1 346 . 1 . 1 72 72 ILE HA H 1 3.862 0.010 . 1 . . . . . 72 ILE HA . 27137 1 347 . 1 . 1 72 72 ILE C C 13 173.983 0.100 . 1 . . . . . 72 ILE C . 27137 1 348 . 1 . 1 72 72 ILE CA C 13 61.096 0.100 . 1 . . . . . 72 ILE CA . 27137 1 349 . 1 . 1 72 72 ILE CB C 13 38.208 0.100 . 1 . . . . . 72 ILE CB . 27137 1 350 . 1 . 1 72 72 ILE N N 15 128.485 0.100 . 1 . . . . . 72 ILE N . 27137 1 351 . 1 . 1 73 73 ASP H H 1 9.415 0.010 . 1 . . . . . 73 ASP H . 27137 1 352 . 1 . 1 73 73 ASP HA H 1 4.900 0.010 . 1 . . . . . 73 ASP HA . 27137 1 353 . 1 . 1 73 73 ASP C C 13 175.457 0.100 . 1 . . . . . 73 ASP C . 27137 1 354 . 1 . 1 73 73 ASP CA C 13 55.441 0.100 . 1 . . . . . 73 ASP CA . 27137 1 355 . 1 . 1 73 73 ASP CB C 13 41.972 0.100 . 1 . . . . . 73 ASP CB . 27137 1 356 . 1 . 1 73 73 ASP N N 15 128.115 0.100 . 1 . . . . . 73 ASP N . 27137 1 357 . 1 . 1 74 74 SER H H 1 7.783 0.010 . 1 . . . . . 74 SER H . 27137 1 358 . 1 . 1 74 74 SER HA H 1 4.653 0.010 . 1 . . . . . 74 SER HA . 27137 1 359 . 1 . 1 74 74 SER C C 13 176.463 0.100 . 1 . . . . . 74 SER C . 27137 1 360 . 1 . 1 74 74 SER CA C 13 58.068 0.100 . 1 . . . . . 74 SER CA . 27137 1 361 . 1 . 1 74 74 SER CB C 13 64.643 0.100 . 1 . . . . . 74 SER CB . 27137 1 362 . 1 . 1 74 74 SER N N 15 111.584 0.100 . 1 . . . . . 74 SER N . 27137 1 363 . 1 . 1 75 75 VAL H H 1 8.277 0.010 . 1 . . . . . 75 VAL H . 27137 1 364 . 1 . 1 75 75 VAL HA H 1 4.959 0.010 . 1 . . . . . 75 VAL HA . 27137 1 365 . 1 . 1 75 75 VAL C C 13 171.915 0.100 . 1 . . . . . 75 VAL C . 27137 1 366 . 1 . 1 75 75 VAL CA C 13 61.699 0.100 . 1 . . . . . 75 VAL CA . 27137 1 367 . 1 . 1 75 75 VAL CB C 13 34.927 0.100 . 1 . . . . . 75 VAL CB . 27137 1 368 . 1 . 1 75 75 VAL N N 15 120.052 0.100 . 1 . . . . . 75 VAL N . 27137 1 369 . 1 . 1 76 76 GLU H H 1 8.842 0.010 . 1 . . . . . 76 GLU H . 27137 1 370 . 1 . 1 76 76 GLU HA H 1 4.772 0.010 . 1 . . . . . 76 GLU HA . 27137 1 371 . 1 . 1 76 76 GLU C C 13 175.081 0.100 . 1 . . . . . 76 GLU C . 27137 1 372 . 1 . 1 76 76 GLU CA C 13 54.657 0.100 . 1 . . . . . 76 GLU CA . 27137 1 373 . 1 . 1 76 76 GLU CB C 13 32.205 0.100 . 1 . . . . . 76 GLU CB . 27137 1 374 . 1 . 1 76 76 GLU N N 15 128.065 0.100 . 1 . . . . . 76 GLU N . 27137 1 375 . 1 . 1 77 77 ARG H H 1 8.827 0.010 . 1 . . . . . 77 ARG H . 27137 1 376 . 1 . 1 77 77 ARG HA H 1 5.495 0.010 . 1 . . . . . 77 ARG HA . 27137 1 377 . 1 . 1 77 77 ARG C C 13 174.955 0.100 . 1 . . . . . 77 ARG C . 27137 1 378 . 1 . 1 77 77 ARG CA C 13 54.493 0.100 . 1 . . . . . 77 ARG CA . 27137 1 379 . 1 . 1 77 77 ARG CB C 13 33.594 0.100 . 1 . . . . . 77 ARG CB . 27137 1 380 . 1 . 1 77 77 ARG N N 15 123.567 0.100 . 1 . . . . . 77 ARG N . 27137 1 381 . 1 . 1 78 78 GLU H H 1 8.843 0.010 . 1 . . . . . 78 GLU H . 27137 1 382 . 1 . 1 78 78 GLU HA H 1 5.040 0.02 . 1 . . . . . 78 GLU HA . 27137 1 383 . 1 . 1 78 78 GLU C C 13 174.766 0.100 . 1 . . . . . 78 GLU C . 27137 1 384 . 1 . 1 78 78 GLU CA C 13 53.680 0.100 . 1 . . . . . 78 GLU CA . 27137 1 385 . 1 . 1 78 78 GLU CB C 13 32.524 0.100 . 1 . . . . . 78 GLU CB . 27137 1 386 . 1 . 1 78 78 GLU N N 15 123.416 0.100 . 1 . . . . . 78 GLU N . 27137 1 387 . 1 . 1 79 79 PRO CA C 13 62.985 0.100 . 1 . . . . . 79 PRO CA . 27137 1 388 . 1 . 1 79 79 PRO CB C 13 32.338 0.100 . 1 . . . . . 79 PRO CB . 27137 1 389 . 1 . 1 80 80 PHE H H 1 7.595 0.010 . 1 . . . . . 80 PHE H . 27137 1 390 . 1 . 1 80 80 PHE HA H 1 4.520 0.010 . 1 . . . . . 80 PHE HA . 27137 1 391 . 1 . 1 80 80 PHE C C 13 175.411 0.100 . 1 . . . . . 80 PHE C . 27137 1 392 . 1 . 1 80 80 PHE CA C 13 57.116 0.100 . 1 . . . . . 80 PHE CA . 27137 1 393 . 1 . 1 80 80 PHE CB C 13 42.520 0.100 . 1 . . . . . 80 PHE CB . 27137 1 394 . 1 . 1 80 80 PHE N N 15 121.345 0.100 . 1 . . . . . 80 PHE N . 27137 1 395 . 1 . 1 81 81 ILE H H 1 7.554 0.010 . 1 . . . . . 81 ILE H . 27137 1 396 . 1 . 1 81 81 ILE HA H 1 4.103 0.010 . 1 . . . . . 81 ILE HA . 27137 1 397 . 1 . 1 81 81 ILE C C 13 171.919 0.100 . 1 . . . . . 81 ILE C . 27137 1 398 . 1 . 1 81 81 ILE CA C 13 59.482 0.100 . 1 . . . . . 81 ILE CA . 27137 1 399 . 1 . 1 81 81 ILE CB C 13 37.683 0.100 . 1 . . . . . 81 ILE CB . 27137 1 400 . 1 . 1 81 81 ILE N N 15 125.788 0.100 . 1 . . . . . 81 ILE N . 27137 1 401 . 1 . 1 82 82 TRP H H 1 8.334 0.010 . 1 . . . . . 82 TRP H . 27137 1 402 . 1 . 1 82 82 TRP HA H 1 4.312 0.010 . 1 . . . . . 82 TRP HA . 27137 1 403 . 1 . 1 82 82 TRP C C 13 175.065 0.100 . 1 . . . . . 82 TRP C . 27137 1 404 . 1 . 1 82 82 TRP CA C 13 56.664 0.100 . 1 . . . . . 82 TRP CA . 27137 1 405 . 1 . 1 82 82 TRP CB C 13 29.382 0.100 . 1 . . . . . 82 TRP CB . 27137 1 406 . 1 . 1 82 82 TRP N N 15 128.299 0.100 . 1 . . . . . 82 TRP N . 27137 1 407 . 1 . 1 83 83 SER H H 1 9.013 0.010 . 1 . . . . . 83 SER H . 27137 1 408 . 1 . 1 83 83 SER HA H 1 4.335 0.010 . 1 . . . . . 83 SER HA . 27137 1 409 . 1 . 1 83 83 SER C C 13 176.796 0.100 . 1 . . . . . 83 SER C . 27137 1 410 . 1 . 1 83 83 SER CA C 13 60.507 0.100 . 1 . . . . . 83 SER CA . 27137 1 411 . 1 . 1 83 83 SER CB C 13 62.638 0.100 . 1 . . . . . 83 SER CB . 27137 1 412 . 1 . 1 83 83 SER N N 15 120.905 0.100 . 1 . . . . . 83 SER N . 27137 1 413 . 1 . 1 84 84 GLN H H 1 7.512 0.010 . 1 . . . . . 84 GLN H . 27137 1 414 . 1 . 1 84 84 GLN HA H 1 4.489 0.010 . 1 . . . . . 84 GLN HA . 27137 1 415 . 1 . 1 84 84 GLN C C 13 174.431 0.100 . 1 . . . . . 84 GLN C . 27137 1 416 . 1 . 1 84 84 GLN CA C 13 54.567 0.100 . 1 . . . . . 84 GLN CA . 27137 1 417 . 1 . 1 84 84 GLN CB C 13 30.956 0.100 . 1 . . . . . 84 GLN CB . 27137 1 418 . 1 . 1 84 84 GLN N N 15 118.727 0.100 . 1 . . . . . 84 GLN N . 27137 1 419 . 1 . 1 85 85 LEU H H 1 8.718 0.010 . 1 . . . . . 85 LEU H . 27137 1 420 . 1 . 1 85 85 LEU HA H 1 3.941 0.010 . 1 . . . . . 85 LEU HA . 27137 1 421 . 1 . 1 85 85 LEU C C 13 175.018 0.100 . 1 . . . . . 85 LEU C . 27137 1 422 . 1 . 1 85 85 LEU CA C 13 53.050 0.100 . 1 . . . . . 85 LEU CA . 27137 1 423 . 1 . 1 85 85 LEU CB C 13 40.851 0.100 . 1 . . . . . 85 LEU CB . 27137 1 424 . 1 . 1 85 85 LEU N N 15 126.696 0.100 . 1 . . . . . 85 LEU N . 27137 1 425 . 1 . 1 86 86 PRO CA C 13 62.024 0.100 . 1 . . . . . 86 PRO CA . 27137 1 426 . 1 . 1 86 86 PRO CB C 13 31.251 0.100 . 1 . . . . . 86 PRO CB . 27137 1 427 . 1 . 1 87 87 THR H H 1 8.324 0.010 . 1 . . . . . 87 THR H . 27137 1 428 . 1 . 1 87 87 THR HA H 1 4.115 0.010 . 1 . . . . . 87 THR HA . 27137 1 429 . 1 . 1 87 87 THR C C 13 176.738 0.100 . 1 . . . . . 87 THR C . 27137 1 430 . 1 . 1 87 87 THR CA C 13 61.781 0.100 . 1 . . . . . 87 THR CA . 27137 1 431 . 1 . 1 87 87 THR CB C 13 68.892 0.100 . 1 . . . . . 87 THR CB . 27137 1 432 . 1 . 1 87 87 THR N N 15 110.919 0.100 . 1 . . . . . 87 THR N . 27137 1 433 . 1 . 1 88 88 GLU H H 1 7.909 0.010 . 1 . . . . . 88 GLU H . 27137 1 434 . 1 . 1 88 88 GLU C C 13 173.747 0.100 . 1 . . . . . 88 GLU C . 27137 1 435 . 1 . 1 88 88 GLU CA C 13 54.499 0.100 . 1 . . . . . 88 GLU CA . 27137 1 436 . 1 . 1 88 88 GLU CB C 13 33.014 0.100 . 1 . . . . . 88 GLU CB . 27137 1 437 . 1 . 1 88 88 GLU N N 15 120.281 0.100 . 1 . . . . . 88 GLU N . 27137 1 438 . 1 . 1 89 89 PHE H H 1 9.123 0.010 . 1 . . . . . 89 PHE H . 27137 1 439 . 1 . 1 89 89 PHE HA H 1 5.484 0.010 . 1 . . . . . 89 PHE HA . 27137 1 440 . 1 . 1 89 89 PHE C C 13 174.355 0.100 . 1 . . . . . 89 PHE C . 27137 1 441 . 1 . 1 89 89 PHE CA C 13 57.550 0.100 . 1 . . . . . 89 PHE CA . 27137 1 442 . 1 . 1 89 89 PHE CB C 13 40.205 0.100 . 1 . . . . . 89 PHE CB . 27137 1 443 . 1 . 1 89 89 PHE N N 15 124.360 0.100 . 1 . . . . . 89 PHE N . 27137 1 444 . 1 . 1 90 90 THR H H 1 7.701 0.010 . 1 . . . . . 90 THR H . 27137 1 445 . 1 . 1 90 90 THR HA H 1 4.919 0.010 . 1 . . . . . 90 THR HA . 27137 1 446 . 1 . 1 90 90 THR C C 13 175.290 0.100 . 1 . . . . . 90 THR C . 27137 1 447 . 1 . 1 90 90 THR CA C 13 60.607 0.100 . 1 . . . . . 90 THR CA . 27137 1 448 . 1 . 1 90 90 THR CB C 13 72.123 0.100 . 1 . . . . . 90 THR CB . 27137 1 449 . 1 . 1 90 90 THR N N 15 119.660 0.100 . 1 . . . . . 90 THR N . 27137 1 450 . 1 . 1 91 91 ILE H H 1 8.347 0.010 . 1 . . . . . 91 ILE H . 27137 1 451 . 1 . 1 91 91 ILE HA H 1 4.501 0.010 . 1 . . . . . 91 ILE HA . 27137 1 452 . 1 . 1 91 91 ILE C C 13 172.538 0.100 . 1 . . . . . 91 ILE C . 27137 1 453 . 1 . 1 91 91 ILE CA C 13 61.123 0.100 . 1 . . . . . 91 ILE CA . 27137 1 454 . 1 . 1 91 91 ILE CB C 13 38.690 0.100 . 1 . . . . . 91 ILE CB . 27137 1 455 . 1 . 1 91 91 ILE N N 15 121.446 0.100 . 1 . . . . . 91 ILE N . 27137 1 456 . 1 . 1 92 92 ARG H H 1 8.697 0.010 . 1 . . . . . 92 ARG H . 27137 1 457 . 1 . 1 92 92 ARG HA H 1 4.467 0.010 . 1 . . . . . 92 ARG HA . 27137 1 458 . 1 . 1 92 92 ARG C C 13 175.002 0.100 . 1 . . . . . 92 ARG C . 27137 1 459 . 1 . 1 92 92 ARG CA C 13 56.603 0.100 . 1 . . . . . 92 ARG CA . 27137 1 460 . 1 . 1 92 92 ARG CB C 13 32.372 0.100 . 1 . . . . . 92 ARG CB . 27137 1 461 . 1 . 1 92 92 ARG N N 15 102.427 0.100 . 1 . . . . . 92 ARG N . 27137 1 stop_ save_