################################### # 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 16900 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16900 1 3 '3D HNCO' . . . 16900 1 4 '3D HN(CA)CO' . . . 16900 1 5 '3D HNCACB' . . . 16900 1 6 '3D HN(CO)CACB' . . . 16900 1 7 '3D HNCA' . . . 16900 1 8 '3D CC(CO)NH TOCSY' . . . 16900 1 9 '3D H(CC)(CO)NH TOCSY' . . . 16900 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 16900 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 ASP H H 1 8.181 0.020 . 1 . . . . 14 ASP H . 16900 1 2 . 1 1 5 5 ASP C C 13 175.966 0.3 . 1 . . . . 14 ASP C . 16900 1 3 . 1 1 5 5 ASP CA C 13 53.884 0.3 . 1 . . . . 14 ASP CA . 16900 1 4 . 1 1 5 5 ASP CB C 13 40.823 0.3 . 1 . . . . 14 ASP CB . 16900 1 5 . 1 1 5 5 ASP N N 15 122.199 0.3 . 1 . . . . 14 ASP N . 16900 1 6 . 1 1 6 6 SER H H 1 8.102 0.020 . 1 . . . . 15 SER H . 16900 1 7 . 1 1 6 6 SER CA C 13 58.419 0.3 . 1 . . . . 15 SER CA . 16900 1 8 . 1 1 6 6 SER CB C 13 62.947 0.3 . 1 . . . . 15 SER CB . 16900 1 9 . 1 1 6 6 SER N N 15 116.577 0.3 . 1 . . . . 15 SER N . 16900 1 10 . 1 1 7 7 ALA H H 1 8.111 0.020 . 1 . . . . 16 ALA H . 16900 1 11 . 1 1 7 7 ALA C C 13 177.421 0.3 . 1 . . . . 16 ALA C . 16900 1 12 . 1 1 7 7 ALA CA C 13 52.378 0.3 . 1 . . . . 16 ALA CA . 16900 1 13 . 1 1 7 7 ALA CB C 13 18.366 0.3 . 1 . . . . 16 ALA CB . 16900 1 14 . 1 1 7 7 ALA N N 15 125.48 0.3 . 1 . . . . 16 ALA N . 16900 1 15 . 1 1 8 8 SER H H 1 7.902 0.020 . 1 . . . . 17 SER H . 16900 1 16 . 1 1 8 8 SER C C 13 173.926 0.3 . 1 . . . . 17 SER C . 16900 1 17 . 1 1 8 8 SER CA C 13 58.05 0.3 . 1 . . . . 17 SER CA . 16900 1 18 . 1 1 8 8 SER CB C 13 62.939 0.3 . 1 . . . . 17 SER CB . 16900 1 19 . 1 1 8 8 SER N N 15 114.315 0.3 . 1 . . . . 17 SER N . 16900 1 20 . 1 1 9 9 ARG H H 1 7.933 0.020 . 1 . . . . 18 ARG H . 16900 1 21 . 1 1 9 9 ARG C C 13 175.397 0.3 . 1 . . . . 18 ARG C . 16900 1 22 . 1 1 9 9 ARG CA C 13 55.461 0.3 . 1 . . . . 18 ARG CA . 16900 1 23 . 1 1 9 9 ARG CB C 13 30.261 0.3 . 1 . . . . 18 ARG CB . 16900 1 24 . 1 1 9 9 ARG N N 15 122.535 0.3 . 1 . . . . 18 ARG N . 16900 1 25 . 1 1 10 10 ILE H H 1 7.862 0.020 . 1 . . . . 19 ILE H . 16900 1 26 . 1 1 10 10 ILE C C 13 175.288 0.3 . 1 . . . . 19 ILE C . 16900 1 27 . 1 1 10 10 ILE CA C 13 60.269 0.3 . 1 . . . . 19 ILE CA . 16900 1 28 . 1 1 10 10 ILE CB C 13 37.821 0.3 . 1 . . . . 19 ILE CB . 16900 1 29 . 1 1 10 10 ILE N N 15 121.449 0.3 . 1 . . . . 19 ILE N . 16900 1 30 . 1 1 11 11 SER H H 1 8.148 0.020 . 1 . . . . 20 SER H . 16900 1 31 . 1 1 11 11 SER C C 13 172.031 0.3 . 1 . . . . 20 SER C . 16900 1 32 . 1 1 11 11 SER CA C 13 55.517 0.3 . 1 . . . . 20 SER CA . 16900 1 33 . 1 1 11 11 SER CB C 13 62.824 0.3 . 1 . . . . 20 SER CB . 16900 1 34 . 1 1 11 11 SER N N 15 121.147 0.3 . 1 . . . . 20 SER N . 16900 1 35 . 1 1 12 12 PRO C C 13 176.931 0.3 . 1 . . . . 21 PRO C . 16900 1 36 . 1 1 12 12 PRO CA C 13 63.288 0.3 . 1 . . . . 21 PRO CA . 16900 1 37 . 1 1 12 12 PRO CB C 13 30.929 0.3 . 1 . . . . 21 PRO CB . 16900 1 38 . 1 1 13 13 GLY H H 1 8.22 0.020 . 1 . . . . 22 GLY H . 16900 1 39 . 1 1 13 13 GLY C C 13 173.567 0.3 . 1 . . . . 22 GLY C . 16900 1 40 . 1 1 13 13 GLY CA C 13 44.599 0.3 . 1 . . . . 22 GLY CA . 16900 1 41 . 1 1 13 13 GLY N N 15 108.674 0.3 . 1 . . . . 22 GLY N . 16900 1 42 . 1 1 14 14 GLN H H 1 7.911 0.020 . 1 . . . . 23 GLN H . 16900 1 43 . 1 1 14 14 GLN C C 13 175.433 0.3 . 1 . . . . 23 GLN C . 16900 1 44 . 1 1 14 14 GLN CA C 13 55.414 0.3 . 1 . . . . 23 GLN CA . 16900 1 45 . 1 1 14 14 GLN CB C 13 29.039 0.3 . 1 . . . . 23 GLN CB . 16900 1 46 . 1 1 14 14 GLN N N 15 119.875 0.3 . 1 . . . . 23 GLN N . 16900 1 47 . 1 1 15 15 ILE H H 1 7.963 0.020 . 1 . . . . 24 ILE H . 16900 1 48 . 1 1 15 15 ILE C C 13 175.128 0.3 . 1 . . . . 24 ILE C . 16900 1 49 . 1 1 15 15 ILE CA C 13 60.632 0.3 . 1 . . . . 24 ILE CA . 16900 1 50 . 1 1 15 15 ILE CB C 13 38.233 0.3 . 1 . . . . 24 ILE CB . 16900 1 51 . 1 1 15 15 ILE N N 15 120.774 0.3 . 1 . . . . 24 ILE N . 16900 1 52 . 1 1 16 16 ASN H H 1 8.252 0.020 . 1 . . . . 25 ASN H . 16900 1 53 . 1 1 16 16 ASN C C 13 174.23 0.3 . 1 . . . . 25 ASN C . 16900 1 54 . 1 1 16 16 ASN CA C 13 52.947 0.3 . 1 . . . . 25 ASN CA . 16900 1 55 . 1 1 16 16 ASN CB C 13 38.488 0.3 . 1 . . . . 25 ASN CB . 16900 1 56 . 1 1 16 16 ASN N N 15 122.003 0.3 . 1 . . . . 25 ASN N . 16900 1 57 . 1 1 17 17 GLN H H 1 8.144 0.020 . 1 . . . . 26 GLN H . 16900 1 58 . 1 1 17 17 GLN C C 13 174.636 0.3 . 1 . . . . 26 GLN C . 16900 1 59 . 1 1 17 17 GLN CA C 13 55.035 0.3 . 1 . . . . 26 GLN CA . 16900 1 60 . 1 1 17 17 GLN CB C 13 31.151 0.3 . 1 . . . . 26 GLN CB . 16900 1 61 . 1 1 17 17 GLN N N 15 119.595 0.3 . 1 . . . . 26 GLN N . 16900 1 62 . 1 1 18 18 VAL H H 1 9.288 0.020 . 1 . . . . 27 VAL H . 16900 1 63 . 1 1 18 18 VAL C C 13 173.327 0.3 . 1 . . . . 27 VAL C . 16900 1 64 . 1 1 18 18 VAL CA C 13 58.165 0.3 . 1 . . . . 27 VAL CA . 16900 1 65 . 1 1 18 18 VAL CB C 13 35.264 0.3 . 1 . . . . 27 VAL CB . 16900 1 66 . 1 1 18 18 VAL N N 15 114.104 0.3 . 1 . . . . 27 VAL N . 16900 1 67 . 1 1 19 19 ARG H H 1 8.812 0.020 . 1 . . . . 28 ARG H . 16900 1 68 . 1 1 19 19 ARG C C 13 174.565 0.3 . 1 . . . . 28 ARG C . 16900 1 69 . 1 1 19 19 ARG CA C 13 51.761 0.3 . 1 . . . . 28 ARG CA . 16900 1 70 . 1 1 19 19 ARG CB C 13 32.819 0.3 . 1 . . . . 28 ARG CB . 16900 1 71 . 1 1 19 19 ARG N N 15 122.12 0.3 . 1 . . . . 28 ARG N . 16900 1 72 . 1 1 20 20 PRO C C 13 175.822 0.3 . 1 . . . . 29 PRO C . 16900 1 73 . 1 1 20 20 PRO CA C 13 60.928 0.3 . 1 . . . . 29 PRO CA . 16900 1 74 . 1 1 20 20 PRO CB C 13 31.191 0.3 . 1 . . . . 29 PRO CB . 16900 1 75 . 1 1 21 21 LYS H H 1 8.429 0.020 . 1 . . . . 30 LYS H . 16900 1 76 . 1 1 21 21 LYS C C 13 177.025 0.3 . 1 . . . . 30 LYS C . 16900 1 77 . 1 1 21 21 LYS CA C 13 56.744 0.3 . 1 . . . . 30 LYS CA . 16900 1 78 . 1 1 21 21 LYS CB C 13 33.073 0.3 . 1 . . . . 30 LYS CB . 16900 1 79 . 1 1 21 21 LYS N N 15 122.265 0.3 . 1 . . . . 30 LYS N . 16900 1 80 . 1 1 22 22 LEU H H 1 8.509 0.020 . 1 . . . . 31 LEU H . 16900 1 81 . 1 1 22 22 LEU C C 13 173.598 0.3 . 1 . . . . 31 LEU C . 16900 1 82 . 1 1 22 22 LEU CA C 13 59.351 0.3 . 1 . . . . 31 LEU CA . 16900 1 83 . 1 1 22 22 LEU CB C 13 39.044 0.3 . 1 . . . . 31 LEU CB . 16900 1 84 . 1 1 22 22 LEU N N 15 122.3 0.3 . 1 . . . . 31 LEU N . 16900 1 85 . 1 1 23 23 PRO C C 13 177.681 0.3 . 1 . . . . 32 PRO C . 16900 1 86 . 1 1 23 23 PRO CA C 13 65.755 0.3 . 1 . . . . 32 PRO CA . 16900 1 87 . 1 1 23 23 PRO CB C 13 31.04 0.3 . 1 . . . . 32 PRO CB . 16900 1 88 . 1 1 24 24 LEU H H 1 6.501 0.020 . 1 . . . . 33 LEU H . 16900 1 89 . 1 1 24 24 LEU C C 13 177.077 0.3 . 1 . . . . 33 LEU C . 16900 1 90 . 1 1 24 24 LEU CA C 13 55.258 0.3 . 1 . . . . 33 LEU CA . 16900 1 91 . 1 1 24 24 LEU CB C 13 41.157 0.3 . 1 . . . . 33 LEU CB . 16900 1 92 . 1 1 24 24 LEU N N 15 114.07 0.3 . 1 . . . . 33 LEU N . 16900 1 93 . 1 1 25 25 LEU H H 1 8.321 0.020 . 1 . . . . 34 LEU H . 16900 1 94 . 1 1 25 25 LEU C C 13 176.936 0.3 . 1 . . . . 34 LEU C . 16900 1 95 . 1 1 25 25 LEU CA C 13 57.434 0.3 . 1 . . . . 34 LEU CA . 16900 1 96 . 1 1 25 25 LEU CB C 13 40.823 0.3 . 1 . . . . 34 LEU CB . 16900 1 97 . 1 1 25 25 LEU N N 15 122.544 0.3 . 1 . . . . 34 LEU N . 16900 1 98 . 1 1 26 26 LYS H H 1 7.863 0.020 . 1 . . . . 35 LYS H . 16900 1 99 . 1 1 26 26 LYS C C 13 179.552 0.3 . 1 . . . . 35 LYS C . 16900 1 100 . 1 1 26 26 LYS CA C 13 59.244 0.3 . 1 . . . . 35 LYS CA . 16900 1 101 . 1 1 26 26 LYS CB C 13 31.707 0.3 . 1 . . . . 35 LYS CB . 16900 1 102 . 1 1 26 26 LYS N N 15 115.659 0.3 . 1 . . . . 35 LYS N . 16900 1 103 . 1 1 27 27 ILE H H 1 6.613 0.020 . 1 . . . . 36 ILE H . 16900 1 104 . 1 1 27 27 ILE C C 13 175.733 0.3 . 1 . . . . 36 ILE C . 16900 1 105 . 1 1 27 27 ILE CA C 13 63.691 0.3 . 1 . . . . 36 ILE CA . 16900 1 106 . 1 1 27 27 ILE CB C 13 36.821 0.3 . 1 . . . . 36 ILE CB . 16900 1 107 . 1 1 27 27 ILE N N 15 120.636 0.3 . 1 . . . . 36 ILE N . 16900 1 108 . 1 1 28 28 LEU H H 1 7.542 0.020 . 1 . . . . 37 LEU H . 16900 1 109 . 1 1 28 28 LEU C C 13 179.702 0.3 . 1 . . . . 37 LEU C . 16900 1 110 . 1 1 28 28 LEU CA C 13 57.404 0.3 . 1 . . . . 37 LEU CA . 16900 1 111 . 1 1 28 28 LEU CB C 13 38.044 0.3 . 1 . . . . 37 LEU CB . 16900 1 112 . 1 1 28 28 LEU N N 15 117.352 0.3 . 1 . . . . 37 LEU N . 16900 1 113 . 1 1 29 29 HIS H H 1 8.855 0.020 . 1 . . . . 38 HIS H . 16900 1 114 . 1 1 29 29 HIS C C 13 179.171 0.3 . 1 . . . . 38 HIS C . 16900 1 115 . 1 1 29 29 HIS CA C 13 56.552 0.3 . 1 . . . . 38 HIS CA . 16900 1 116 . 1 1 29 29 HIS CB C 13 29.483 0.3 . 1 . . . . 38 HIS CB . 16900 1 117 . 1 1 29 29 HIS N N 15 118.181 0.3 . 1 . . . . 38 HIS N . 16900 1 118 . 1 1 30 30 ALA H H 1 7.855 0.020 . 1 . . . . 39 ALA H . 16900 1 119 . 1 1 30 30 ALA C C 13 178.113 0.3 . 1 . . . . 39 ALA C . 16900 1 120 . 1 1 30 30 ALA CA C 13 54.228 0.3 . 1 . . . . 39 ALA CA . 16900 1 121 . 1 1 30 30 ALA CB C 13 16.92 0.3 . 1 . . . . 39 ALA CB . 16900 1 122 . 1 1 30 30 ALA N N 15 124.537 0.3 . 1 . . . . 39 ALA N . 16900 1 123 . 1 1 31 31 ALA H H 1 7.495 0.020 . 1 . . . . 40 ALA H . 16900 1 124 . 1 1 31 31 ALA C C 13 175.655 0.3 . 1 . . . . 40 ALA C . 16900 1 125 . 1 1 31 31 ALA CA C 13 51.192 0.3 . 1 . . . . 40 ALA CA . 16900 1 126 . 1 1 31 31 ALA CB C 13 20.256 0.3 . 1 . . . . 40 ALA CB . 16900 1 127 . 1 1 31 31 ALA N N 15 118.775 0.3 . 1 . . . . 40 ALA N . 16900 1 128 . 1 1 32 32 GLY H H 1 7.57 0.020 . 1 . . . . 41 GLY H . 16900 1 129 . 1 1 32 32 GLY C C 13 173.759 0.3 . 1 . . . . 41 GLY C . 16900 1 130 . 1 1 32 32 GLY CA C 13 44.079 0.3 . 1 . . . . 41 GLY CA . 16900 1 131 . 1 1 32 32 GLY N N 15 104.817 0.3 . 1 . . . . 41 GLY N . 16900 1 132 . 1 1 33 33 ALA H H 1 7.445 0.020 . 1 . . . . 42 ALA H . 16900 1 133 . 1 1 33 33 ALA C C 13 175.399 0.3 . 1 . . . . 42 ALA C . 16900 1 134 . 1 1 33 33 ALA CA C 13 51.856 0.3 . 1 . . . . 42 ALA CA . 16900 1 135 . 1 1 33 33 ALA CB C 13 18.699 0.3 . 1 . . . . 42 ALA CB . 16900 1 136 . 1 1 33 33 ALA N N 15 124.397 0.3 . 1 . . . . 42 ALA N . 16900 1 137 . 1 1 34 34 GLN H H 1 8.461 0.020 . 1 . . . . 43 GLN H . 16900 1 138 . 1 1 34 34 GLN C C 13 174.941 0.3 . 1 . . . . 43 GLN C . 16900 1 139 . 1 1 34 34 GLN CA C 13 53.754 0.3 . 1 . . . . 43 GLN CA . 16900 1 140 . 1 1 34 34 GLN CB C 13 31.484 0.3 . 1 . . . . 43 GLN CB . 16900 1 141 . 1 1 34 34 GLN N N 15 118.467 0.3 . 1 . . . . 43 GLN N . 16900 1 142 . 1 1 35 35 GLY H H 1 8.431 0.020 . 1 . . . . 44 GLY H . 16900 1 143 . 1 1 35 35 GLY C C 13 173.552 0.3 . 1 . . . . 44 GLY C . 16900 1 144 . 1 1 35 35 GLY CA C 13 43.77 0.3 . 1 . . . . 44 GLY CA . 16900 1 145 . 1 1 35 35 GLY N N 15 108.72 0.3 . 1 . . . . 44 GLY N . 16900 1 146 . 1 1 36 36 GLU H H 1 8.204 0.020 . 1 . . . . 45 GLU H . 16900 1 147 . 1 1 36 36 GLU C C 13 173.473 0.3 . 1 . . . . 45 GLU C . 16900 1 148 . 1 1 36 36 GLU CA C 13 55.983 0.3 . 1 . . . . 45 GLU CA . 16900 1 149 . 1 1 36 36 GLU CB C 13 32.263 0.3 . 1 . . . . 45 GLU CB . 16900 1 150 . 1 1 36 36 GLU N N 15 115.326 0.3 . 1 . . . . 45 GLU N . 16900 1 151 . 1 1 37 37 MET H H 1 6.787 0.020 . 1 . . . . 46 MET H . 16900 1 152 . 1 1 37 37 MET C C 13 173.953 0.3 . 1 . . . . 46 MET C . 16900 1 153 . 1 1 37 37 MET CA C 13 53.422 0.3 . 1 . . . . 46 MET CA . 16900 1 154 . 1 1 37 37 MET CB C 13 34.82 0.3 . 1 . . . . 46 MET CB . 16900 1 155 . 1 1 37 37 MET N N 15 116.286 0.3 . 1 . . . . 46 MET N . 16900 1 156 . 1 1 38 38 PHE H H 1 8.528 0.020 . 1 . . . . 47 PHE H . 16900 1 157 . 1 1 38 38 PHE C C 13 175.12 0.3 . 1 . . . . 47 PHE C . 16900 1 158 . 1 1 38 38 PHE CA C 13 56.6 0.3 . 1 . . . . 47 PHE CA . 16900 1 159 . 1 1 38 38 PHE CB C 13 46.048 0.3 . 1 . . . . 47 PHE CB . 16900 1 160 . 1 1 38 38 PHE N N 15 119.735 0.3 . 1 . . . . 47 PHE N . 16900 1 161 . 1 1 39 39 THR H H 1 9.034 0.020 . 1 . . . . 48 THR H . 16900 1 162 . 1 1 39 39 THR C C 13 176.262 0.3 . 1 . . . . 48 THR C . 16900 1 163 . 1 1 39 39 THR CA C 13 60.11 0.3 . 1 . . . . 48 THR CA . 16900 1 164 . 1 1 39 39 THR CB C 13 70.507 0.3 . 1 . . . . 48 THR CB . 16900 1 165 . 1 1 39 39 THR N N 15 111.207 0.3 . 1 . . . . 48 THR N . 16900 1 166 . 1 1 40 40 VAL H H 1 8.999 0.020 . 1 . . . . 49 VAL H . 16900 1 167 . 1 1 40 40 VAL C C 13 177.094 0.3 . 1 . . . . 49 VAL C . 16900 1 168 . 1 1 40 40 VAL CA C 13 67.394 0.3 . 1 . . . . 49 VAL CA . 16900 1 169 . 1 1 40 40 VAL CB C 13 30.321 0.3 . 1 . . . . 49 VAL CB . 16900 1 170 . 1 1 40 40 VAL N N 15 122.411 0.3 . 1 . . . . 49 VAL N . 16900 1 171 . 1 1 41 41 LYS H H 1 8.021 0.020 . 1 . . . . 50 LYS H . 16900 1 172 . 1 1 41 41 LYS C C 13 179.67 0.3 . 1 . . . . 50 LYS C . 16900 1 173 . 1 1 41 41 LYS CA C 13 59.399 0.3 . 1 . . . . 50 LYS CA . 16900 1 174 . 1 1 41 41 LYS CB C 13 31.744 0.3 . 1 . . . . 50 LYS CB . 16900 1 175 . 1 1 41 41 LYS N N 15 119.381 0.3 . 1 . . . . 50 LYS N . 16900 1 176 . 1 1 42 42 GLU H H 1 7.837 0.020 . 1 . . . . 51 GLU H . 16900 1 177 . 1 1 42 42 GLU C C 13 178.001 0.3 . 1 . . . . 51 GLU C . 16900 1 178 . 1 1 42 42 GLU CA C 13 59.056 0.3 . 1 . . . . 51 GLU CA . 16900 1 179 . 1 1 42 42 GLU CB C 13 30.595 0.3 . 1 . . . . 51 GLU CB . 16900 1 180 . 1 1 42 42 GLU N N 15 120.817 0.3 . 1 . . . . 51 GLU N . 16900 1 181 . 1 1 43 43 VAL H H 1 8.174 0.020 . 1 . . . . 52 VAL H . 16900 1 182 . 1 1 43 43 VAL C C 13 177 0.3 . 1 . . . . 52 VAL C . 16900 1 183 . 1 1 43 43 VAL CA C 13 67.083 0.3 . 1 . . . . 52 VAL CA . 16900 1 184 . 1 1 43 43 VAL CB C 13 30.373 0.3 . 1 . . . . 52 VAL CB . 16900 1 185 . 1 1 43 43 VAL N N 15 119.943 0.3 . 1 . . . . 52 VAL N . 16900 1 186 . 1 1 44 44 MET H H 1 8.206 0.020 . 1 . . . . 53 MET H . 16900 1 187 . 1 1 44 44 MET C C 13 179.669 0.3 . 1 . . . . 53 MET C . 16900 1 188 . 1 1 44 44 MET CA C 13 56.538 0.3 . 1 . . . . 53 MET CA . 16900 1 189 . 1 1 44 44 MET CB C 13 29.087 0.3 . 1 . . . . 53 MET CB . 16900 1 190 . 1 1 44 44 MET N N 15 115.532 0.3 . 1 . . . . 53 MET N . 16900 1 191 . 1 1 45 45 HIS H H 1 8.18 0.020 . 1 . . . . 54 HIS H . 16900 1 192 . 1 1 45 45 HIS C C 13 178.268 0.3 . 1 . . . . 54 HIS C . 16900 1 193 . 1 1 45 45 HIS CA C 13 59.676 0.3 . 1 . . . . 54 HIS CA . 16900 1 194 . 1 1 45 45 HIS N N 15 121.963 0.3 . 1 . . . . 54 HIS N . 16900 1 195 . 1 1 46 46 TYR H H 1 8.55 0.020 . 1 . . . . 55 TYR H . 16900 1 196 . 1 1 46 46 TYR C C 13 177.045 0.3 . 1 . . . . 55 TYR C . 16900 1 197 . 1 1 46 46 TYR CA C 13 62.932 0.3 . 1 . . . . 55 TYR CA . 16900 1 198 . 1 1 46 46 TYR CB C 13 38.155 0.3 . 1 . . . . 55 TYR CB . 16900 1 199 . 1 1 46 46 TYR N N 15 118.008 0.3 . 1 . . . . 55 TYR N . 16900 1 200 . 1 1 47 47 LEU H H 1 8.572 0.020 . 1 . . . . 56 LEU H . 16900 1 201 . 1 1 47 47 LEU C C 13 177.404 0.3 . 1 . . . . 56 LEU C . 16900 1 202 . 1 1 47 47 LEU CA C 13 57.643 0.3 . 1 . . . . 56 LEU CA . 16900 1 203 . 1 1 47 47 LEU CB C 13 42.157 0.3 . 1 . . . . 56 LEU CB . 16900 1 204 . 1 1 47 47 LEU N N 15 121.715 0.3 . 1 . . . . 56 LEU N . 16900 1 205 . 1 1 48 48 GLY H H 1 7.743 0.020 . 1 . . . . 57 GLY H . 16900 1 206 . 1 1 48 48 GLY C C 13 175.137 0.3 . 1 . . . . 57 GLY C . 16900 1 207 . 1 1 48 48 GLY CA C 13 45.27 0.3 . 1 . . . . 57 GLY CA . 16900 1 208 . 1 1 48 48 GLY N N 15 106.44 0.3 . 1 . . . . 57 GLY N . 16900 1 209 . 1 1 49 49 GLN H H 1 7.52 0.020 . 1 . . . . 58 GLN H . 16900 1 210 . 1 1 49 49 GLN C C 13 176.784 0.3 . 1 . . . . 58 GLN C . 16900 1 211 . 1 1 49 49 GLN CA C 13 57.738 0.3 . 1 . . . . 58 GLN CA . 16900 1 212 . 1 1 49 49 GLN CB C 13 28.149 0.3 . 1 . . . . 58 GLN CB . 16900 1 213 . 1 1 49 49 GLN N N 15 119.435 0.3 . 1 . . . . 58 GLN N . 16900 1 214 . 1 1 50 50 TYR H H 1 8.325 0.020 . 1 . . . . 59 TYR H . 16900 1 215 . 1 1 50 50 TYR C C 13 175.351 0.3 . 1 . . . . 59 TYR C . 16900 1 216 . 1 1 50 50 TYR CA C 13 61.698 0.3 . 1 . . . . 59 TYR CA . 16900 1 217 . 1 1 50 50 TYR CB C 13 37.821 0.3 . 1 . . . . 59 TYR CB . 16900 1 218 . 1 1 50 50 TYR N N 15 121.166 0.3 . 1 . . . . 59 TYR N . 16900 1 219 . 1 1 51 51 ILE H H 1 7.384 0.020 . 1 . . . . 60 ILE H . 16900 1 220 . 1 1 51 51 ILE C C 13 176.849 0.3 . 1 . . . . 60 ILE C . 16900 1 221 . 1 1 51 51 ILE CA C 13 65.138 0.3 . 1 . . . . 60 ILE CA . 16900 1 222 . 1 1 51 51 ILE CB C 13 37.266 0.3 . 1 . . . . 60 ILE CB . 16900 1 223 . 1 1 51 51 ILE N N 15 117.761 0.3 . 1 . . . . 60 ILE N . 16900 1 224 . 1 1 52 52 MET H H 1 7.635 0.020 . 1 . . . . 61 MET H . 16900 1 225 . 1 1 52 52 MET C C 13 179.124 0.3 . 1 . . . . 61 MET C . 16900 1 226 . 1 1 52 52 MET CA C 13 59.067 0.3 . 1 . . . . 61 MET CA . 16900 1 227 . 1 1 52 52 MET CB C 13 32.707 0.3 . 1 . . . . 61 MET CB . 16900 1 228 . 1 1 52 52 MET N N 15 116.946 0.3 . 1 . . . . 61 MET N . 16900 1 229 . 1 1 53 53 VAL H H 1 8.977 0.020 . 1 . . . . 62 VAL H . 16900 1 230 . 1 1 53 53 VAL C C 13 178.184 0.3 . 1 . . . . 62 VAL C . 16900 1 231 . 1 1 53 53 VAL CA C 13 65.328 0.3 . 1 . . . . 62 VAL CA . 16900 1 232 . 1 1 53 53 VAL CB C 13 30.929 0.3 . 1 . . . . 62 VAL CB . 16900 1 233 . 1 1 53 53 VAL N N 15 121.594 0.3 . 1 . . . . 62 VAL N . 16900 1 234 . 1 1 54 54 LYS H H 1 7.537 0.020 . 1 . . . . 63 LYS H . 16900 1 235 . 1 1 54 54 LYS C C 13 173.965 0.3 . 1 . . . . 63 LYS C . 16900 1 236 . 1 1 54 54 LYS CA C 13 55.272 0.3 . 1 . . . . 63 LYS CA . 16900 1 237 . 1 1 54 54 LYS N N 15 117.411 0.3 . 1 . . . . 63 LYS N . 16900 1 238 . 1 1 55 55 GLN H H 1 7.399 0.020 . 1 . . . . 64 GLN H . 16900 1 239 . 1 1 55 55 GLN C C 13 174.622 0.3 . 1 . . . . 64 GLN C . 16900 1 240 . 1 1 55 55 GLN CA C 13 55.699 0.3 . 1 . . . . 64 GLN CA . 16900 1 241 . 1 1 55 55 GLN CB C 13 25.37 0.3 . 1 . . . . 64 GLN CB . 16900 1 242 . 1 1 55 55 GLN N N 15 116.239 0.3 . 1 . . . . 64 GLN N . 16900 1 243 . 1 1 56 56 LEU H H 1 7.575 0.020 . 1 . . . . 65 LEU H . 16900 1 244 . 1 1 56 56 LEU C C 13 176.322 0.3 . 1 . . . . 65 LEU C . 16900 1 245 . 1 1 56 56 LEU CA C 13 54.465 0.3 . 1 . . . . 65 LEU CA . 16900 1 246 . 1 1 56 56 LEU CB C 13 41.49 0.3 . 1 . . . . 65 LEU CB . 16900 1 247 . 1 1 56 56 LEU N N 15 113.135 0.3 . 1 . . . . 65 LEU N . 16900 1 248 . 1 1 57 57 TYR H H 1 6.164 0.020 . 1 . . . . 66 TYR H . 16900 1 249 . 1 1 57 57 TYR C C 13 173.865 0.3 . 1 . . . . 66 TYR C . 16900 1 250 . 1 1 57 57 TYR CA C 13 53.469 0.3 . 1 . . . . 66 TYR CA . 16900 1 251 . 1 1 57 57 TYR CB C 13 38.377 0.3 . 1 . . . . 66 TYR CB . 16900 1 252 . 1 1 57 57 TYR N N 15 113.449 0.3 . 1 . . . . 66 TYR N . 16900 1 253 . 1 1 58 58 ASP H H 1 8.221 0.020 . 1 . . . . 67 ASP H . 16900 1 254 . 1 1 58 58 ASP C C 13 176.378 0.3 . 1 . . . . 67 ASP C . 16900 1 255 . 1 1 58 58 ASP CA C 13 53.327 0.3 . 1 . . . . 67 ASP CA . 16900 1 256 . 1 1 58 58 ASP CB C 13 42.268 0.3 . 1 . . . . 67 ASP CB . 16900 1 257 . 1 1 58 58 ASP N N 15 123.249 0.3 . 1 . . . . 67 ASP N . 16900 1 258 . 1 1 59 59 GLN H H 1 8.462 0.020 . 1 . . . . 68 GLN H . 16900 1 259 . 1 1 59 59 GLN C C 13 176.761 0.3 . 1 . . . . 68 GLN C . 16900 1 260 . 1 1 59 59 GLN CA C 13 58.356 0.3 . 1 . . . . 68 GLN CA . 16900 1 261 . 1 1 59 59 GLN CB C 13 27.758 0.3 . 1 . . . . 68 GLN CB . 16900 1 262 . 1 1 59 59 GLN N N 15 123.869 0.3 . 1 . . . . 68 GLN N . 16900 1 263 . 1 1 60 60 GLN H H 1 8.228 0.020 . 1 . . . . 69 GLN H . 16900 1 264 . 1 1 60 60 GLN C C 13 175.606 0.3 . 1 . . . . 69 GLN C . 16900 1 265 . 1 1 60 60 GLN CA C 13 56.247 0.3 . 1 . . . . 69 GLN CA . 16900 1 266 . 1 1 60 60 GLN CB C 13 29.087 0.3 . 1 . . . . 69 GLN CB . 16900 1 267 . 1 1 60 60 GLN N N 15 115.778 0.3 . 1 . . . . 69 GLN N . 16900 1 268 . 1 1 61 61 GLU H H 1 8.146 0.020 . 1 . . . . 70 GLU H . 16900 1 269 . 1 1 61 61 GLU C C 13 175.2 0.3 . 1 . . . . 70 GLU C . 16900 1 270 . 1 1 61 61 GLU CA C 13 54.159 0.3 . 1 . . . . 70 GLU CA . 16900 1 271 . 1 1 61 61 GLU CB C 13 28.483 0.3 . 1 . . . . 70 GLU CB . 16900 1 272 . 1 1 61 61 GLU N N 15 123.66 0.3 . 1 . . . . 70 GLU N . 16900 1 273 . 1 1 62 62 GLN H H 1 8.054 0.020 . 1 . . . . 71 GLN H . 16900 1 274 . 1 1 62 62 GLN C C 13 172.927 0.3 . 1 . . . . 71 GLN C . 16900 1 275 . 1 1 62 62 GLN CA C 13 59.25 0.3 . 1 . . . . 71 GLN CA . 16900 1 276 . 1 1 62 62 GLN CB C 13 26.148 0.3 . 1 . . . . 71 GLN CB . 16900 1 277 . 1 1 62 62 GLN N N 15 119.273 0.3 . 1 . . . . 71 GLN N . 16900 1 278 . 1 1 63 63 HIS H H 1 7.117 0.020 . 1 . . . . 72 HIS H . 16900 1 279 . 1 1 63 63 HIS C C 13 173.895 0.3 . 1 . . . . 72 HIS C . 16900 1 280 . 1 1 63 63 HIS CA C 13 54.855 0.3 . 1 . . . . 72 HIS CA . 16900 1 281 . 1 1 63 63 HIS CB C 13 30.817 0.3 . 1 . . . . 72 HIS CB . 16900 1 282 . 1 1 63 63 HIS N N 15 107.988 0.3 . 1 . . . . 72 HIS N . 16900 1 283 . 1 1 64 64 MET H H 1 7.794 0.020 . 1 . . . . 73 MET H . 16900 1 284 . 1 1 64 64 MET C C 13 173.593 0.3 . 1 . . . . 73 MET C . 16900 1 285 . 1 1 64 64 MET CA C 13 52.067 0.3 . 1 . . . . 73 MET CA . 16900 1 286 . 1 1 64 64 MET CB C 13 30.15 0.3 . 1 . . . . 73 MET CB . 16900 1 287 . 1 1 64 64 MET N N 15 120.82 0.3 . 1 . . . . 73 MET N . 16900 1 288 . 1 1 65 65 VAL H H 1 8.317 0.020 . 1 . . . . 74 VAL H . 16900 1 289 . 1 1 65 65 VAL C C 13 173.865 0.3 . 1 . . . . 74 VAL C . 16900 1 290 . 1 1 65 65 VAL CA C 13 60.679 0.3 . 1 . . . . 74 VAL CA . 16900 1 291 . 1 1 65 65 VAL CB C 13 31.484 0.3 . 1 . . . . 74 VAL CB . 16900 1 292 . 1 1 65 65 VAL N N 15 122.858 0.3 . 1 . . . . 74 VAL N . 16900 1 293 . 1 1 66 66 TYR H H 1 8.158 0.020 . 1 . . . . 75 TYR H . 16900 1 294 . 1 1 66 66 TYR C C 13 174.4 0.3 . 1 . . . . 75 TYR C . 16900 1 295 . 1 1 66 66 TYR CA C 13 57.314 0.3 . 1 . . . . 75 TYR CA . 16900 1 296 . 1 1 66 66 TYR CB C 13 37.503 0.3 . 1 . . . . 75 TYR CB . 16900 1 297 . 1 1 66 66 TYR N N 15 126.405 0.3 . 1 . . . . 75 TYR N . 16900 1 298 . 1 1 67 67 CYS H H 1 8.171 0.020 . 1 . . . . 76 CYS H . 16900 1 299 . 1 1 67 67 CYS C C 13 173.531 0.3 . 1 . . . . 76 CYS C . 16900 1 300 . 1 1 67 67 CYS CA C 13 55.224 0.3 . 1 . . . . 76 CYS CA . 16900 1 301 . 1 1 67 67 CYS CB C 13 28.594 0.3 . 1 . . . . 76 CYS CB . 16900 1 302 . 1 1 67 67 CYS N N 15 117.273 0.3 . 1 . . . . 76 CYS N . 16900 1 303 . 1 1 68 68 GLY H H 1 8.455 0.020 . 1 . . . . 77 GLY H . 16900 1 304 . 1 1 68 68 GLY C C 13 174.107 0.3 . 1 . . . . 77 GLY C . 16900 1 305 . 1 1 68 68 GLY CA C 13 46.354 0.3 . 1 . . . . 77 GLY CA . 16900 1 306 . 1 1 68 68 GLY N N 15 112.485 0.3 . 1 . . . . 77 GLY N . 16900 1 307 . 1 1 69 69 GLY H H 1 8.758 0.020 . 1 . . . . 78 GLY H . 16900 1 308 . 1 1 69 69 GLY C C 13 172.107 0.3 . 1 . . . . 78 GLY C . 16900 1 309 . 1 1 69 69 GLY CA C 13 44.883 0.3 . 1 . . . . 78 GLY CA . 16900 1 310 . 1 1 69 69 GLY N N 15 113.684 0.3 . 1 . . . . 78 GLY N . 16900 1 311 . 1 1 70 70 ASP H H 1 7.665 0.020 . 1 . . . . 79 ASP H . 16900 1 312 . 1 1 70 70 ASP C C 13 175.566 0.3 . 1 . . . . 79 ASP C . 16900 1 313 . 1 1 70 70 ASP CA C 13 52.094 0.3 . 1 . . . . 79 ASP CA . 16900 1 314 . 1 1 70 70 ASP CB C 13 46.16 0.3 . 1 . . . . 79 ASP CB . 16900 1 315 . 1 1 70 70 ASP N N 15 120.22 0.3 . 1 . . . . 79 ASP N . 16900 1 316 . 1 1 71 71 LEU H H 1 8.424 0.020 . 1 . . . . 80 LEU H . 16900 1 317 . 1 1 71 71 LEU C C 13 178.575 0.3 . 1 . . . . 80 LEU C . 16900 1 318 . 1 1 71 71 LEU CA C 13 57.691 0.3 . 1 . . . . 80 LEU CA . 16900 1 319 . 1 1 71 71 LEU CB C 13 41.824 0.3 . 1 . . . . 80 LEU CB . 16900 1 320 . 1 1 71 71 LEU N N 15 129.4 0.3 . 1 . . . . 80 LEU N . 16900 1 321 . 1 1 72 72 LEU H H 1 9.899 0.020 . 1 . . . . 81 LEU H . 16900 1 322 . 1 1 72 72 LEU C C 13 177.89 0.3 . 1 . . . . 81 LEU C . 16900 1 323 . 1 1 72 72 LEU CA C 13 57.691 0.3 . 1 . . . . 81 LEU CA . 16900 1 324 . 1 1 72 72 LEU CB C 13 41.713 0.3 . 1 . . . . 81 LEU CB . 16900 1 325 . 1 1 72 72 LEU N N 15 119.255 0.3 . 1 . . . . 81 LEU N . 16900 1 326 . 1 1 73 73 GLY H H 1 7.467 0.020 . 1 . . . . 82 GLY H . 16900 1 327 . 1 1 73 73 GLY C C 13 176.288 0.3 . 1 . . . . 82 GLY C . 16900 1 328 . 1 1 73 73 GLY CA C 13 47.303 0.3 . 1 . . . . 82 GLY CA . 16900 1 329 . 1 1 73 73 GLY N N 15 106.688 0.3 . 1 . . . . 82 GLY N . 16900 1 330 . 1 1 74 74 GLU H H 1 7.405 0.020 . 1 . . . . 83 GLU H . 16900 1 331 . 1 1 74 74 GLU C C 13 178.602 0.3 . 1 . . . . 83 GLU C . 16900 1 332 . 1 1 74 74 GLU CA C 13 58.26 0.3 . 1 . . . . 83 GLU CA . 16900 1 333 . 1 1 74 74 GLU CB C 13 28.816 0.3 . 1 . . . . 83 GLU CB . 16900 1 334 . 1 1 74 74 GLU N N 15 122.621 0.3 . 1 . . . . 83 GLU N . 16900 1 335 . 1 1 75 75 LEU H H 1 7.585 0.020 . 1 . . . . 84 LEU H . 16900 1 336 . 1 1 75 75 LEU C C 13 178.203 0.3 . 1 . . . . 84 LEU C . 16900 1 337 . 1 1 75 75 LEU CA C 13 56.505 0.3 . 1 . . . . 84 LEU CA . 16900 1 338 . 1 1 75 75 LEU CB C 13 41.601 0.3 . 1 . . . . 84 LEU CB . 16900 1 339 . 1 1 75 75 LEU N N 15 119.354 0.3 . 1 . . . . 84 LEU N . 16900 1 340 . 1 1 76 76 LEU H H 1 8.016 0.020 . 1 . . . . 85 LEU H . 16900 1 341 . 1 1 76 76 LEU C C 13 177.1 0.3 . 1 . . . . 85 LEU C . 16900 1 342 . 1 1 76 76 LEU CA C 13 55.556 0.3 . 1 . . . . 85 LEU CA . 16900 1 343 . 1 1 76 76 LEU CB C 13 43.158 0.3 . 1 . . . . 85 LEU CB . 16900 1 344 . 1 1 76 76 LEU N N 15 116.05 0.3 . 1 . . . . 85 LEU N . 16900 1 345 . 1 1 77 77 GLY H H 1 7.898 0.020 . 1 . . . . 86 GLY H . 16900 1 346 . 1 1 77 77 GLY C C 13 173.539 0.3 . 1 . . . . 86 GLY C . 16900 1 347 . 1 1 77 77 GLY CA C 13 45.547 0.3 . 1 . . . . 86 GLY CA . 16900 1 348 . 1 1 77 77 GLY N N 15 108.232 0.3 . 1 . . . . 86 GLY N . 16900 1 349 . 1 1 78 78 ARG H H 1 7.312 0.020 . 1 . . . . 87 ARG H . 16900 1 350 . 1 1 78 78 ARG C C 13 174.227 0.3 . 1 . . . . 87 ARG C . 16900 1 351 . 1 1 78 78 ARG CA C 13 53.351 0.3 . 1 . . . . 87 ARG CA . 16900 1 352 . 1 1 78 78 ARG CB C 13 33.708 0.3 . 1 . . . . 87 ARG CB . 16900 1 353 . 1 1 78 78 ARG N N 15 113.833 0.3 . 1 . . . . 87 ARG N . 16900 1 354 . 1 1 79 79 GLN H H 1 8.579 0.020 . 1 . . . . 88 GLN H . 16900 1 355 . 1 1 79 79 GLN C C 13 175.273 0.3 . 1 . . . . 88 GLN C . 16900 1 356 . 1 1 79 79 GLN CA C 13 56.315 0.3 . 1 . . . . 88 GLN CA . 16900 1 357 . 1 1 79 79 GLN CB C 13 28.927 0.3 . 1 . . . . 88 GLN CB . 16900 1 358 . 1 1 79 79 GLN N N 15 116.705 0.3 . 1 . . . . 88 GLN N . 16900 1 359 . 1 1 80 80 SER H H 1 7.534 0.020 . 1 . . . . 89 SER H . 16900 1 360 . 1 1 80 80 SER C C 13 172.351 0.3 . 1 . . . . 89 SER C . 16900 1 361 . 1 1 80 80 SER CA C 13 56.165 0.3 . 1 . . . . 89 SER CA . 16900 1 362 . 1 1 80 80 SER CB C 13 65.615 0.3 . 1 . . . . 89 SER CB . 16900 1 363 . 1 1 80 80 SER N N 15 111.208 0.3 . 1 . . . . 89 SER N . 16900 1 364 . 1 1 81 81 PHE H H 1 8.548 0.020 . 1 . . . . 90 PHE H . 16900 1 365 . 1 1 81 81 PHE C C 13 169.52 0.3 . 1 . . . . 90 PHE C . 16900 1 366 . 1 1 81 81 PHE CA C 13 56.219 0.3 . 1 . . . . 90 PHE CA . 16900 1 367 . 1 1 81 81 PHE CB C 13 39.567 0.3 . 1 . . . . 90 PHE CB . 16900 1 368 . 1 1 81 81 PHE N N 15 115.66 0.3 . 1 . . . . 90 PHE N . 16900 1 369 . 1 1 82 82 SER H H 1 9.201 0.020 . 1 . . . . 91 SER H . 16900 1 370 . 1 1 82 82 SER C C 13 177.55 0.3 . 1 . . . . 91 SER C . 16900 1 371 . 1 1 82 82 SER CA C 13 53.509 0.3 . 1 . . . . 91 SER CA . 16900 1 372 . 1 1 82 82 SER CB C 13 64.504 0.3 . 1 . . . . 91 SER CB . 16900 1 373 . 1 1 82 82 SER N N 15 114.219 0.3 . 1 . . . . 91 SER N . 16900 1 374 . 1 1 83 83 VAL H H 1 9.832 0.020 . 1 . . . . 92 VAL H . 16900 1 375 . 1 1 83 83 VAL C C 13 175.174 0.3 . 1 . . . . 92 VAL C . 16900 1 376 . 1 1 83 83 VAL CA C 13 64.237 0.3 . 1 . . . . 92 VAL CA . 16900 1 377 . 1 1 83 83 VAL CB C 13 31.707 0.3 . 1 . . . . 92 VAL CB . 16900 1 378 . 1 1 83 83 VAL N N 15 126.35 0.3 . 1 . . . . 92 VAL N . 16900 1 379 . 1 1 84 84 LYS H H 1 7.995 0.020 . 1 . . . . 93 LYS H . 16900 1 380 . 1 1 84 84 LYS C C 13 176.062 0.3 . 1 . . . . 93 LYS C . 16900 1 381 . 1 1 84 84 LYS CA C 13 56.695 0.3 . 1 . . . . 93 LYS CA . 16900 1 382 . 1 1 84 84 LYS CB C 13 31.707 0.3 . 1 . . . . 93 LYS CB . 16900 1 383 . 1 1 84 84 LYS N N 15 115.271 0.3 . 1 . . . . 93 LYS N . 16900 1 384 . 1 1 85 85 ASP H H 1 7.343 0.020 . 1 . . . . 94 ASP H . 16900 1 385 . 1 1 85 85 ASP C C 13 172.631 0.3 . 1 . . . . 94 ASP C . 16900 1 386 . 1 1 85 85 ASP CA C 13 51.145 0.3 . 1 . . . . 94 ASP CA . 16900 1 387 . 1 1 85 85 ASP CB C 13 40.378 0.3 . 1 . . . . 94 ASP CB . 16900 1 388 . 1 1 85 85 ASP N N 15 116.657 0.3 . 1 . . . . 94 ASP N . 16900 1 389 . 1 1 86 86 PRO C C 13 176.18 0.3 . 1 . . . . 95 PRO C . 16900 1 390 . 1 1 86 86 PRO CA C 13 63.305 0.3 . 1 . . . . 95 PRO CA . 16900 1 391 . 1 1 86 86 PRO CB C 13 31.151 0.3 . 1 . . . . 95 PRO CB . 16900 1 392 . 1 1 87 87 SER H H 1 8.051 0.020 . 1 . . . . 96 SER H . 16900 1 393 . 1 1 87 87 SER CA C 13 63.81 0.3 . 1 . . . . 96 SER CA . 16900 1 394 . 1 1 87 87 SER CB C 13 60.946 0.3 . 1 . . . . 96 SER CB . 16900 1 395 . 1 1 87 87 SER N N 15 121.095 0.3 . 1 . . . . 96 SER N . 16900 1 396 . 1 1 88 88 PRO C C 13 179.249 0.3 . 1 . . . . 97 PRO C . 16900 1 397 . 1 1 88 88 PRO CA C 13 65.186 0.3 . 1 . . . . 97 PRO CA . 16900 1 398 . 1 1 88 88 PRO CB C 13 30.706 0.3 . 1 . . . . 97 PRO CB . 16900 1 399 . 1 1 89 89 LEU H H 1 7.056 0.020 . 1 . . . . 98 LEU H . 16900 1 400 . 1 1 89 89 LEU C C 13 177.267 0.3 . 1 . . . . 98 LEU C . 16900 1 401 . 1 1 89 89 LEU CA C 13 56.695 0.3 . 1 . . . . 98 LEU CA . 16900 1 402 . 1 1 89 89 LEU CB C 13 40.823 0.3 . 1 . . . . 98 LEU CB . 16900 1 403 . 1 1 89 89 LEU N N 15 118.088 0.3 . 1 . . . . 98 LEU N . 16900 1 404 . 1 1 90 90 TYR H H 1 7.34 0.020 . 1 . . . . 99 TYR H . 16900 1 405 . 1 1 90 90 TYR C C 13 178.143 0.3 . 1 . . . . 99 TYR C . 16900 1 406 . 1 1 90 90 TYR CA C 13 60.158 0.3 . 1 . . . . 99 TYR CA . 16900 1 407 . 1 1 90 90 TYR CB C 13 36.154 0.3 . 1 . . . . 99 TYR CB . 16900 1 408 . 1 1 90 90 TYR N N 15 118.936 0.3 . 1 . . . . 99 TYR N . 16900 1 409 . 1 1 91 91 ASP H H 1 8.147 0.020 . 1 . . . . 100 ASP H . 16900 1 410 . 1 1 91 91 ASP C C 13 177.069 0.3 . 1 . . . . 100 ASP C . 16900 1 411 . 1 1 91 91 ASP CA C 13 57.027 0.3 . 1 . . . . 100 ASP CA . 16900 1 412 . 1 1 91 91 ASP CB C 13 40.267 0.3 . 1 . . . . 100 ASP CB . 16900 1 413 . 1 1 91 91 ASP N N 15 120.829 0.3 . 1 . . . . 100 ASP N . 16900 1 414 . 1 1 92 92 MET H H 1 7.111 0.020 . 1 . . . . 101 MET H . 16900 1 415 . 1 1 92 92 MET C C 13 179.402 0.3 . 1 . . . . 101 MET C . 16900 1 416 . 1 1 92 92 MET CA C 13 58.735 0.3 . 1 . . . . 101 MET CA . 16900 1 417 . 1 1 92 92 MET CB C 13 30.484 0.3 . 1 . . . . 101 MET CB . 16900 1 418 . 1 1 92 92 MET N N 15 119.322 0.3 . 1 . . . . 101 MET N . 16900 1 419 . 1 1 93 93 LEU H H 1 8.347 0.020 . 1 . . . . 102 LEU H . 16900 1 420 . 1 1 93 93 LEU C C 13 177.894 0.3 . 1 . . . . 102 LEU C . 16900 1 421 . 1 1 93 93 LEU CA C 13 58.023 0.3 . 1 . . . . 102 LEU CA . 16900 1 422 . 1 1 93 93 LEU CB C 13 40.712 0.3 . 1 . . . . 102 LEU CB . 16900 1 423 . 1 1 93 93 LEU N N 15 122.517 0.3 . 1 . . . . 102 LEU N . 16900 1 424 . 1 1 94 94 ARG H H 1 7.892 0.020 . 1 . . . . 103 ARG H . 16900 1 425 . 1 1 94 94 ARG C C 13 178.268 0.3 . 1 . . . . 103 ARG C . 16900 1 426 . 1 1 94 94 ARG CA C 13 58.924 0.3 . 1 . . . . 103 ARG CA . 16900 1 427 . 1 1 94 94 ARG CB C 13 29.372 0.3 . 1 . . . . 103 ARG CB . 16900 1 428 . 1 1 94 94 ARG N N 15 118.032 0.3 . 1 . . . . 103 ARG N . 16900 1 429 . 1 1 95 95 LYS H H 1 7.084 0.020 . 1 . . . . 104 LYS H . 16900 1 430 . 1 1 95 95 LYS C C 13 176.996 0.3 . 1 . . . . 104 LYS C . 16900 1 431 . 1 1 95 95 LYS CA C 13 57.169 0.3 . 1 . . . . 104 LYS CA . 16900 1 432 . 1 1 95 95 LYS N N 15 114.883 0.3 . 1 . . . . 104 LYS N . 16900 1 433 . 1 1 96 96 ASN H H 1 7.537 0.020 . 1 . . . . 105 ASN H . 16900 1 434 . 1 1 96 96 ASN C C 13 172.267 0.3 . 1 . . . . 105 ASN C . 16900 1 435 . 1 1 96 96 ASN CA C 13 53.942 0.3 . 1 . . . . 105 ASN CA . 16900 1 436 . 1 1 96 96 ASN CB C 13 42.046 0.3 . 1 . . . . 105 ASN CB . 16900 1 437 . 1 1 96 96 ASN N N 15 114.393 0.3 . 1 . . . . 105 ASN N . 16900 1 438 . 1 1 97 97 LEU H H 1 7.318 0.020 . 1 . . . . 106 LEU H . 16900 1 439 . 1 1 97 97 LEU C C 13 174.804 0.3 . 1 . . . . 106 LEU C . 16900 1 440 . 1 1 97 97 LEU CA C 13 53.754 0.3 . 1 . . . . 106 LEU CA . 16900 1 441 . 1 1 97 97 LEU CB C 13 42.491 0.3 . 1 . . . . 106 LEU CB . 16900 1 442 . 1 1 97 97 LEU N N 15 119.668 0.3 . 1 . . . . 106 LEU N . 16900 1 443 . 1 1 98 98 VAL H H 1 7.889 0.020 . 1 . . . . 107 VAL H . 16900 1 444 . 1 1 98 98 VAL C C 13 175.429 0.3 . 1 . . . . 107 VAL C . 16900 1 445 . 1 1 98 98 VAL CA C 13 61.249 0.3 . 1 . . . . 107 VAL CA . 16900 1 446 . 1 1 98 98 VAL CB C 13 32.707 0.3 . 1 . . . . 107 VAL CB . 16900 1 447 . 1 1 98 98 VAL N N 15 123.634 0.3 . 1 . . . . 107 VAL N . 16900 1 448 . 1 1 99 99 THR H H 1 8.443 0.020 . 1 . . . . 108 THR H . 16900 1 449 . 1 1 99 99 THR C C 13 173.632 0.3 . 1 . . . . 108 THR C . 16900 1 450 . 1 1 99 99 THR CA C 13 61.886 0.3 . 1 . . . . 108 THR CA . 16900 1 451 . 1 1 99 99 THR CB C 13 69.174 0.3 . 1 . . . . 108 THR CB . 16900 1 452 . 1 1 99 99 THR N N 15 121.701 0.3 . 1 . . . . 108 THR N . 16900 1 453 . 1 1 100 100 LEU H H 1 8.19 0.020 . 1 . . . . 109 LEU H . 16900 1 454 . 1 1 100 100 LEU C C 13 175.9 0.3 . 1 . . . . 109 LEU C . 16900 1 455 . 1 1 100 100 LEU CA C 13 54.276 0.3 . 1 . . . . 109 LEU CA . 16900 1 456 . 1 1 100 100 LEU CB C 13 41.601 0.3 . 1 . . . . 109 LEU CB . 16900 1 457 . 1 1 100 100 LEU N N 15 126.14 0.3 . 1 . . . . 109 LEU N . 16900 1 458 . 1 1 101 101 ALA H H 1 8.127 0.020 . 1 . . . . 110 ALA H . 16900 1 459 . 1 1 101 101 ALA C C 13 176.246 0.3 . 1 . . . . 110 ALA C . 16900 1 460 . 1 1 101 101 ALA CA C 13 51.78 0.3 . 1 . . . . 110 ALA CA . 16900 1 461 . 1 1 101 101 ALA CB C 13 18.922 0.3 . 1 . . . . 110 ALA CB . 16900 1 462 . 1 1 101 101 ALA N N 15 125.746 0.3 . 1 . . . . 110 ALA N . 16900 1 463 . 1 1 102 102 THR H H 1 7.555 0.020 . 1 . . . . 111 THR H . 16900 1 464 . 1 1 102 102 THR C C 13 178.536 0.3 . 1 . . . . 111 THR C . 16900 1 465 . 1 1 102 102 THR CA C 13 62.462 0.3 . 1 . . . . 111 THR CA . 16900 1 466 . 1 1 102 102 THR CB C 13 70.285 0.3 . 1 . . . . 111 THR CB . 16900 1 467 . 1 1 102 102 THR N N 15 118.986 0.3 . 1 . . . . 111 THR N . 16900 1 stop_ save_