################################### # 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 25988 _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' . . . 25988 1 2 '3D HNCO' . . . 25988 1 3 '3D HNCACB' . . . 25988 1 4 '3D HNCA' . . . 25988 1 5 '3D CBCA(CO)NH' . . . 25988 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 $CcpNmr_Analysis . . 25988 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 2 2 MET C C 13 175.727 0.000 . 1 . . . . 1927 MET C . 25988 1 2 . 1 1 2 2 MET CA C 13 55.167 0.051 . 1 . . . . 1927 MET CA . 25988 1 3 . 1 1 2 2 MET CB C 13 32.996 0.000 . 1 . . . . 1927 MET CB . 25988 1 4 . 1 1 3 3 SER H H 1 8.552 0.002 . 1 . . . . 1928 SER HN . 25988 1 5 . 1 1 3 3 SER C C 13 174.396 0.000 . 1 . . . . 1928 SER C . 25988 1 6 . 1 1 3 3 SER CA C 13 58.186 0.061 . 1 . . . . 1928 SER CA . 25988 1 7 . 1 1 3 3 SER CB C 13 63.835 0.059 . 1 . . . . 1928 SER CB . 25988 1 8 . 1 1 3 3 SER N N 15 118.117 0.023 . 1 . . . . 1928 SER N . 25988 1 9 . 1 1 4 4 ILE H H 1 8.125 0.003 . 1 . . . . 1929 ILE HN . 25988 1 10 . 1 1 4 4 ILE C C 13 175.984 0.000 . 1 . . . . 1929 ILE C . 25988 1 11 . 1 1 4 4 ILE CA C 13 61.281 0.072 . 1 . . . . 1929 ILE CA . 25988 1 12 . 1 1 4 4 ILE CB C 13 38.683 0.044 . 1 . . . . 1929 ILE CB . 25988 1 13 . 1 1 4 4 ILE N N 15 121.992 0.054 . 1 . . . . 1929 ILE N . 25988 1 14 . 1 1 5 5 MET H H 1 8.164 0.004 . 1 . . . . 1930 MET HN . 25988 1 15 . 1 1 5 5 MET C C 13 175.339 0.000 . 1 . . . . 1930 MET C . 25988 1 16 . 1 1 5 5 MET CA C 13 54.950 0.060 . 1 . . . . 1930 MET CA . 25988 1 17 . 1 1 5 5 MET CB C 13 33.014 0.027 . 1 . . . . 1930 MET CB . 25988 1 18 . 1 1 5 5 MET N N 15 123.374 0.054 . 1 . . . . 1930 MET N . 25988 1 19 . 1 1 6 6 LYS H H 1 8.150 0.004 . 1 . . . . 1931 LYS HN . 25988 1 20 . 1 1 6 6 LYS C C 13 175.524 0.000 . 1 . . . . 1931 LYS C . 25988 1 21 . 1 1 6 6 LYS CA C 13 56.180 0.065 . 1 . . . . 1931 LYS CA . 25988 1 22 . 1 1 6 6 LYS CB C 13 32.903 0.014 . 1 . . . . 1931 LYS CB . 25988 1 23 . 1 1 6 6 LYS N N 15 123.221 0.081 . 1 . . . . 1931 LYS N . 25988 1 24 . 1 1 7 7 VAL H H 1 7.906 0.001 . 1 . . . . 1932 VAL HN . 25988 1 25 . 1 1 7 7 VAL C C 13 173.853 0.000 . 1 . . . . 1932 VAL C . 25988 1 26 . 1 1 7 7 VAL CA C 13 61.668 0.097 . 1 . . . . 1932 VAL CA . 25988 1 27 . 1 1 7 7 VAL CB C 13 32.905 0.087 . 1 . . . . 1932 VAL CB . 25988 1 28 . 1 1 7 7 VAL N N 15 123.283 0.088 . 1 . . . . 1932 VAL N . 25988 1 29 . 1 1 8 8 TYR H H 1 7.771 0.001 . 1 . . . . 1933 TYR HN . 25988 1 30 . 1 1 8 8 TYR C C 13 174.124 0.000 . 1 . . . . 1933 TYR C . 25988 1 31 . 1 1 8 8 TYR CA C 13 55.434 0.054 . 1 . . . . 1933 TYR CA . 25988 1 32 . 1 1 8 8 TYR CB C 13 40.073 0.075 . 1 . . . . 1933 TYR CB . 25988 1 33 . 1 1 8 8 TYR N N 15 120.588 0.031 . 1 . . . . 1933 TYR N . 25988 1 34 . 1 1 9 9 CYS H H 1 8.050 0.001 . 1 . . . . 1934 CYS HN . 25988 1 35 . 1 1 9 9 CYS C C 13 177.409 0.000 . 1 . . . . 1934 CYS C . 25988 1 36 . 1 1 9 9 CYS CA C 13 58.908 0.065 . 1 . . . . 1934 CYS CA . 25988 1 37 . 1 1 9 9 CYS CB C 13 31.624 0.062 . 1 . . . . 1934 CYS CB . 25988 1 38 . 1 1 9 9 CYS N N 15 122.858 0.050 . 1 . . . . 1934 CYS N . 25988 1 39 . 1 1 10 10 GLN H H 1 8.677 0.002 . 1 . . . . 1935 GLN HN . 25988 1 40 . 1 1 10 10 GLN C C 13 174.984 0.000 . 1 . . . . 1935 GLN C . 25988 1 41 . 1 1 10 10 GLN CA C 13 57.717 0.065 . 1 . . . . 1935 GLN CA . 25988 1 42 . 1 1 10 10 GLN CB C 13 30.443 0.011 . 1 . . . . 1935 GLN CB . 25988 1 43 . 1 1 10 10 GLN N N 15 127.274 0.106 . 1 . . . . 1935 GLN N . 25988 1 44 . 1 1 11 11 ILE H H 1 8.968 0.003 . 1 . . . . 1936 ILE HN . 25988 1 45 . 1 1 11 11 ILE C C 13 176.846 0.000 . 1 . . . . 1936 ILE C . 25988 1 46 . 1 1 11 11 ILE CA C 13 62.180 0.050 . 1 . . . . 1936 ILE CA . 25988 1 47 . 1 1 11 11 ILE CB C 13 37.265 0.058 . 1 . . . . 1936 ILE CB . 25988 1 48 . 1 1 11 11 ILE N N 15 121.936 0.075 . 1 . . . . 1936 ILE N . 25988 1 49 . 1 1 12 12 CYS H H 1 8.261 0.001 . 1 . . . . 1937 CYS HN . 25988 1 50 . 1 1 12 12 CYS C C 13 175.731 0.000 . 1 . . . . 1937 CYS C . 25988 1 51 . 1 1 12 12 CYS CA C 13 59.268 0.024 . 1 . . . . 1937 CYS CA . 25988 1 52 . 1 1 12 12 CYS CB C 13 30.748 0.038 . 1 . . . . 1937 CYS CB . 25988 1 53 . 1 1 12 12 CYS N N 15 118.181 0.039 . 1 . . . . 1937 CYS N . 25988 1 54 . 1 1 13 13 ARG H H 1 7.709 0.001 . 1 . . . . 1938 ARG HN . 25988 1 55 . 1 1 13 13 ARG C C 13 174.936 0.000 . 1 . . . . 1938 ARG C . 25988 1 56 . 1 1 13 13 ARG CA C 13 57.369 0.069 . 1 . . . . 1938 ARG CA . 25988 1 57 . 1 1 13 13 ARG CB C 13 26.066 0.034 . 1 . . . . 1938 ARG CB . 25988 1 58 . 1 1 13 13 ARG N N 15 115.343 0.034 . 1 . . . . 1938 ARG N . 25988 1 59 . 1 1 14 14 LYS H H 1 8.398 0.003 . 1 . . . . 1939 LYS HN . 25988 1 60 . 1 1 14 14 LYS C C 13 177.231 0.000 . 1 . . . . 1939 LYS C . 25988 1 61 . 1 1 14 14 LYS CA C 13 55.521 0.072 . 1 . . . . 1939 LYS CA . 25988 1 62 . 1 1 14 14 LYS CB C 13 36.040 0.030 . 1 . . . . 1939 LYS CB . 25988 1 63 . 1 1 14 14 LYS N N 15 118.691 0.055 . 1 . . . . 1939 LYS N . 25988 1 64 . 1 1 15 15 GLY H H 1 8.969 0.004 . 1 . . . . 1940 GLY HN . 25988 1 65 . 1 1 15 15 GLY C C 13 173.525 0.000 . 1 . . . . 1940 GLY C . 25988 1 66 . 1 1 15 15 GLY CA C 13 44.569 0.078 . 1 . . . . 1940 GLY CA . 25988 1 67 . 1 1 15 15 GLY N N 15 110.325 0.049 . 1 . . . . 1940 GLY N . 25988 1 68 . 1 1 16 16 ASP H H 1 7.668 0.001 . 1 . . . . 1941 ASP HN . 25988 1 69 . 1 1 16 16 ASP C C 13 174.506 0.000 . 1 . . . . 1941 ASP C . 25988 1 70 . 1 1 16 16 ASP CA C 13 52.156 0.073 . 1 . . . . 1941 ASP CA . 25988 1 71 . 1 1 16 16 ASP CB C 13 40.698 0.073 . 1 . . . . 1941 ASP CB . 25988 1 72 . 1 1 16 16 ASP N N 15 117.044 0.022 . 1 . . . . 1941 ASP N . 25988 1 73 . 1 1 17 17 ASN H H 1 8.931 0.001 . 1 . . . . 1942 ASN HN . 25988 1 74 . 1 1 17 17 ASN C C 13 176.457 0.000 . 1 . . . . 1942 ASN C . 25988 1 75 . 1 1 17 17 ASN CA C 13 54.186 0.036 . 1 . . . . 1942 ASN CA . 25988 1 76 . 1 1 17 17 ASN CB C 13 38.070 0.034 . 1 . . . . 1942 ASN CB . 25988 1 77 . 1 1 17 17 ASN N N 15 115.733 0.065 . 1 . . . . 1942 ASN N . 25988 1 78 . 1 1 18 18 GLU H H 1 9.055 0.002 . 1 . . . . 1943 GLU HN . 25988 1 79 . 1 1 18 18 GLU C C 13 178.730 0.000 . 1 . . . . 1943 GLU C . 25988 1 80 . 1 1 18 18 GLU CA C 13 60.422 0.035 . 1 . . . . 1943 GLU CA . 25988 1 81 . 1 1 18 18 GLU CB C 13 29.258 0.018 . 1 . . . . 1943 GLU CB . 25988 1 82 . 1 1 18 18 GLU N N 15 117.081 0.040 . 1 . . . . 1943 GLU N . 25988 1 83 . 1 1 19 19 GLU H H 1 9.487 0.002 . 1 . . . . 1944 GLU HN . 25988 1 84 . 1 1 19 19 GLU C C 13 177.002 0.000 . 1 . . . . 1944 GLU C . 25988 1 85 . 1 1 19 19 GLU CA C 13 58.761 0.047 . 1 . . . . 1944 GLU CA . 25988 1 86 . 1 1 19 19 GLU CB C 13 28.188 0.010 . 1 . . . . 1944 GLU CB . 25988 1 87 . 1 1 19 19 GLU N N 15 119.583 0.030 . 1 . . . . 1944 GLU N . 25988 1 88 . 1 1 20 20 LEU H H 1 8.015 0.002 . 1 . . . . 1945 LEU HN . 25988 1 89 . 1 1 20 20 LEU C C 13 174.580 0.000 . 1 . . . . 1945 LEU C . 25988 1 90 . 1 1 20 20 LEU CA C 13 53.230 0.072 . 1 . . . . 1945 LEU CA . 25988 1 91 . 1 1 20 20 LEU CB C 13 41.112 0.050 . 1 . . . . 1945 LEU CB . 25988 1 92 . 1 1 20 20 LEU N N 15 118.569 0.033 . 1 . . . . 1945 LEU N . 25988 1 93 . 1 1 21 21 LEU H H 1 7.270 0.002 . 1 . . . . 1946 LEU HN . 25988 1 94 . 1 1 21 21 LEU C C 13 174.365 0.000 . 1 . . . . 1946 LEU C . 25988 1 95 . 1 1 21 21 LEU CA C 13 54.724 0.094 . 1 . . . . 1946 LEU CA . 25988 1 96 . 1 1 21 21 LEU CB C 13 42.456 0.013 . 1 . . . . 1946 LEU CB . 25988 1 97 . 1 1 21 21 LEU N N 15 122.899 0.047 . 1 . . . . 1946 LEU N . 25988 1 98 . 1 1 22 22 LEU H H 1 7.865 0.002 . 1 . . . . 1947 LEU HN . 25988 1 99 . 1 1 22 22 LEU C C 13 175.384 0.000 . 1 . . . . 1947 LEU C . 25988 1 100 . 1 1 22 22 LEU CA C 13 54.200 0.059 . 1 . . . . 1947 LEU CA . 25988 1 101 . 1 1 22 22 LEU CB C 13 41.061 0.052 . 1 . . . . 1947 LEU CB . 25988 1 102 . 1 1 22 22 LEU N N 15 127.740 0.076 . 1 . . . . 1947 LEU N . 25988 1 103 . 1 1 23 23 LEU H H 1 8.119 0.006 . 1 . . . . 1948 LEU HN . 25988 1 104 . 1 1 23 23 LEU C C 13 175.754 0.000 . 1 . . . . 1948 LEU C . 25988 1 105 . 1 1 23 23 LEU CA C 13 53.147 0.071 . 1 . . . . 1948 LEU CA . 25988 1 106 . 1 1 23 23 LEU CB C 13 42.499 0.035 . 1 . . . . 1948 LEU CB . 25988 1 107 . 1 1 23 23 LEU N N 15 122.026 0.046 . 1 . . . . 1948 LEU N . 25988 1 108 . 1 1 24 24 CYS H H 1 8.522 0.002 . 1 . . . . 1949 CYS HN . 25988 1 109 . 1 1 24 24 CYS C C 13 176.842 0.000 . 1 . . . . 1949 CYS C . 25988 1 110 . 1 1 24 24 CYS CA C 13 60.085 0.076 . 1 . . . . 1949 CYS CA . 25988 1 111 . 1 1 24 24 CYS CB C 13 31.102 0.029 . 1 . . . . 1949 CYS CB . 25988 1 112 . 1 1 24 24 CYS N N 15 126.502 0.042 . 1 . . . . 1949 CYS N . 25988 1 113 . 1 1 25 25 ASP H H 1 8.808 0.002 . 1 . . . . 1950 ASP HN . 25988 1 114 . 1 1 25 25 ASP C C 13 176.341 0.000 . 1 . . . . 1950 ASP C . 25988 1 115 . 1 1 25 25 ASP CA C 13 57.031 0.066 . 1 . . . . 1950 ASP CA . 25988 1 116 . 1 1 25 25 ASP CB C 13 41.376 0.041 . 1 . . . . 1950 ASP CB . 25988 1 117 . 1 1 25 25 ASP N N 15 127.911 0.045 . 1 . . . . 1950 ASP N . 25988 1 118 . 1 1 26 26 GLY H H 1 10.180 0.003 . 1 . . . . 1951 GLY HN . 25988 1 119 . 1 1 26 26 GLY C C 13 174.184 0.000 . 1 . . . . 1951 GLY C . 25988 1 120 . 1 1 26 26 GLY CA C 13 45.751 0.115 . 1 . . . . 1951 GLY CA . 25988 1 121 . 1 1 26 26 GLY N N 15 114.615 0.031 . 1 . . . . 1951 GLY N . 25988 1 122 . 1 1 27 27 CYS H H 1 7.885 0.003 . 1 . . . . 1952 CYS HN . 25988 1 123 . 1 1 27 27 CYS C C 13 174.249 0.000 . 1 . . . . 1952 CYS C . 25988 1 124 . 1 1 27 27 CYS CA C 13 58.604 0.032 . 1 . . . . 1952 CYS CA . 25988 1 125 . 1 1 27 27 CYS CB C 13 31.792 0.051 . 1 . . . . 1952 CYS CB . 25988 1 126 . 1 1 27 27 CYS N N 15 121.173 0.031 . 1 . . . . 1952 CYS N . 25988 1 127 . 1 1 28 28 ASP H H 1 7.974 0.001 . 1 . . . . 1953 ASP HN . 25988 1 128 . 1 1 28 28 ASP C C 13 175.587 0.000 . 1 . . . . 1953 ASP C . 25988 1 129 . 1 1 28 28 ASP CA C 13 55.079 0.099 . 1 . . . . 1953 ASP CA . 25988 1 130 . 1 1 28 28 ASP CB C 13 40.294 0.050 . 1 . . . . 1953 ASP CB . 25988 1 131 . 1 1 28 28 ASP N N 15 117.787 0.046 . 1 . . . . 1953 ASP N . 25988 1 132 . 1 1 29 29 LYS H H 1 8.482 0.003 . 1 . . . . 1954 LYS HN . 25988 1 133 . 1 1 29 29 LYS C C 13 176.312 0.000 . 1 . . . . 1954 LYS C . 25988 1 134 . 1 1 29 29 LYS CA C 13 56.568 0.032 . 1 . . . . 1954 LYS CA . 25988 1 135 . 1 1 29 29 LYS CB C 13 34.743 0.023 . 1 . . . . 1954 LYS CB . 25988 1 136 . 1 1 29 29 LYS N N 15 120.041 0.087 . 1 . . . . 1954 LYS N . 25988 1 137 . 1 1 30 30 GLY H H 1 8.282 0.003 . 1 . . . . 1955 GLY HN . 25988 1 138 . 1 1 30 30 GLY C C 13 175.174 0.000 . 1 . . . . 1955 GLY C . 25988 1 139 . 1 1 30 30 GLY CA C 13 44.572 0.072 . 1 . . . . 1955 GLY CA . 25988 1 140 . 1 1 30 30 GLY N N 15 105.439 0.060 . 1 . . . . 1955 GLY N . 25988 1 141 . 1 1 31 31 CYS H H 1 8.932 0.002 . 1 . . . . 1956 CYS HN . 25988 1 142 . 1 1 31 31 CYS C C 13 174.193 0.000 . 1 . . . . 1956 CYS C . 25988 1 143 . 1 1 31 31 CYS CA C 13 58.184 0.044 . 1 . . . . 1956 CYS CA . 25988 1 144 . 1 1 31 31 CYS CB C 13 30.317 0.036 . 1 . . . . 1956 CYS CB . 25988 1 145 . 1 1 31 31 CYS N N 15 121.567 0.031 . 1 . . . . 1956 CYS N . 25988 1 146 . 1 1 32 32 HIS H H 1 9.441 0.001 . 1 . . . . 1957 HIS HN . 25988 1 147 . 1 1 32 32 HIS CA C 13 59.293 0.080 . 1 . . . . 1957 HIS CA . 25988 1 148 . 1 1 32 32 HIS CB C 13 30.382 0.018 . 1 . . . . 1957 HIS CB . 25988 1 149 . 1 1 32 32 HIS N N 15 129.375 0.084 . 1 . . . . 1957 HIS N . 25988 1 150 . 1 1 33 33 THR H H 1 9.101 0.003 . 1 . . . . 1958 THR HN . 25988 1 151 . 1 1 33 33 THR C C 13 177.059 0.000 . 1 . . . . 1958 THR C . 25988 1 152 . 1 1 33 33 THR CA C 13 65.616 0.059 . 1 . . . . 1958 THR CA . 25988 1 153 . 1 1 33 33 THR N N 15 116.022 0.032 . 1 . . . . 1958 THR N . 25988 1 154 . 1 1 34 34 TYR H H 1 6.646 0.002 . 1 . . . . 1959 TYR HN . 25988 1 155 . 1 1 34 34 TYR C C 13 176.454 0.000 . 1 . . . . 1959 TYR C . 25988 1 156 . 1 1 34 34 TYR CA C 13 56.697 0.024 . 1 . . . . 1959 TYR CA . 25988 1 157 . 1 1 34 34 TYR CB C 13 36.838 0.063 . 1 . . . . 1959 TYR CB . 25988 1 158 . 1 1 34 34 TYR N N 15 112.079 0.076 . 1 . . . . 1959 TYR N . 25988 1 159 . 1 1 35 35 CYS H H 1 7.022 0.005 . 1 . . . . 1960 CYS HN . 25988 1 160 . 1 1 35 35 CYS C C 13 174.286 0.000 . 1 . . . . 1960 CYS C . 25988 1 161 . 1 1 35 35 CYS CA C 13 61.386 0.082 . 1 . . . . 1960 CYS CA . 25988 1 162 . 1 1 35 35 CYS CB C 13 31.337 0.021 . 1 . . . . 1960 CYS CB . 25988 1 163 . 1 1 35 35 CYS N N 15 123.506 0.046 . 1 . . . . 1960 CYS N . 25988 1 164 . 1 1 36 36 HIS H H 1 6.840 0.001 . 1 . . . . 1961 HIS HN . 25988 1 165 . 1 1 36 36 HIS CA C 13 58.736 0.046 . 1 . . . . 1961 HIS CA . 25988 1 166 . 1 1 36 36 HIS CB C 13 29.579 0.055 . 1 . . . . 1961 HIS CB . 25988 1 167 . 1 1 36 36 HIS N N 15 119.532 0.041 . 1 . . . . 1961 HIS N . 25988 1 168 . 1 1 37 37 ARG H H 1 7.447 0.002 . 1 . . . . 1962 ARG HN . 25988 1 169 . 1 1 37 37 ARG CA C 13 52.164 0.014 . 1 . . . . 1962 ARG CA . 25988 1 170 . 1 1 37 37 ARG CB C 13 31.560 0.000 . 1 . . . . 1962 ARG CB . 25988 1 171 . 1 1 37 37 ARG N N 15 122.824 0.047 . 1 . . . . 1962 ARG N . 25988 1 172 . 1 1 38 38 PRO C C 13 176.254 0.000 . 1 . . . . 1963 PRO C . 25988 1 173 . 1 1 38 38 PRO CA C 13 63.084 0.025 . 1 . . . . 1963 PRO CA . 25988 1 174 . 1 1 38 38 PRO CB C 13 34.614 0.007 . 1 . . . . 1963 PRO CB . 25988 1 175 . 1 1 39 39 LYS H H 1 8.553 0.001 . 1 . . . . 1964 LYS HN . 25988 1 176 . 1 1 39 39 LYS C C 13 177.059 0.000 . 1 . . . . 1964 LYS C . 25988 1 177 . 1 1 39 39 LYS CA C 13 58.455 0.040 . 1 . . . . 1964 LYS CA . 25988 1 178 . 1 1 39 39 LYS CB C 13 32.745 0.041 . 1 . . . . 1964 LYS CB . 25988 1 179 . 1 1 39 39 LYS N N 15 121.230 0.035 . 1 . . . . 1964 LYS N . 25988 1 180 . 1 1 40 40 ILE H H 1 7.761 0.002 . 1 . . . . 1965 ILE HN . 25988 1 181 . 1 1 40 40 ILE C C 13 176.248 0.059 . 1 . . . . 1965 ILE C . 25988 1 182 . 1 1 40 40 ILE CA C 13 60.859 0.014 . 1 . . . . 1965 ILE CA . 25988 1 183 . 1 1 40 40 ILE CB C 13 39.268 0.010 . 1 . . . . 1965 ILE CB . 25988 1 184 . 1 1 40 40 ILE N N 15 124.265 0.058 . 1 . . . . 1965 ILE N . 25988 1 185 . 1 1 41 41 THR H H 1 8.597 0.003 . 1 . . . . 1966 THR HN . 25988 1 186 . 1 1 41 41 THR C C 13 174.457 0.000 . 1 . . . . 1966 THR C . 25988 1 187 . 1 1 41 41 THR CA C 13 62.754 0.085 . 1 . . . . 1966 THR CA . 25988 1 188 . 1 1 41 41 THR CB C 13 69.183 0.072 . 1 . . . . 1966 THR CB . 25988 1 189 . 1 1 41 41 THR N N 15 118.377 0.073 . 1 . . . . 1966 THR N . 25988 1 190 . 1 1 42 42 THR H H 1 7.407 0.002 . 1 . . . . 1967 THR HN . 25988 1 191 . 1 1 42 42 THR C C 13 172.798 0.000 . 1 . . . . 1967 THR C . 25988 1 192 . 1 1 42 42 THR CA C 13 60.728 0.075 . 1 . . . . 1967 THR CA . 25988 1 193 . 1 1 42 42 THR CB C 13 70.689 0.050 . 1 . . . . 1967 THR CB . 25988 1 194 . 1 1 42 42 THR N N 15 116.931 0.037 . 1 . . . . 1967 THR N . 25988 1 195 . 1 1 43 43 ILE H H 1 8.440 0.001 . 1 . . . . 1968 ILE HN . 25988 1 196 . 1 1 43 43 ILE CA C 13 58.975 0.040 . 1 . . . . 1968 ILE CA . 25988 1 197 . 1 1 43 43 ILE CB C 13 37.411 0.000 . 1 . . . . 1968 ILE CB . 25988 1 198 . 1 1 43 43 ILE N N 15 126.748 0.045 . 1 . . . . 1968 ILE N . 25988 1 199 . 1 1 44 44 PRO C C 13 176.053 0.000 . 1 . . . . 1969 PRO C . 25988 1 200 . 1 1 44 44 PRO CA C 13 63.080 0.040 . 1 . . . . 1969 PRO CA . 25988 1 201 . 1 1 44 44 PRO CB C 13 32.166 0.018 . 1 . . . . 1969 PRO CB . 25988 1 202 . 1 1 45 45 ASP H H 1 8.326 0.001 . 1 . . . . 1970 ASP HN . 25988 1 203 . 1 1 45 45 ASP C C 13 176.408 0.000 . 1 . . . . 1970 ASP C . 25988 1 204 . 1 1 45 45 ASP CA C 13 54.068 0.065 . 1 . . . . 1970 ASP CA . 25988 1 205 . 1 1 45 45 ASP CB C 13 41.397 0.005 . 1 . . . . 1970 ASP CB . 25988 1 206 . 1 1 45 45 ASP N N 15 121.246 0.040 . 1 . . . . 1970 ASP N . 25988 1 207 . 1 1 46 46 GLY H H 1 7.926 0.001 . 1 . . . . 1971 GLY HN . 25988 1 208 . 1 1 46 46 GLY C C 13 172.955 0.000 . 1 . . . . 1971 GLY C . 25988 1 209 . 1 1 46 46 GLY CA C 13 44.551 0.045 . 1 . . . . 1971 GLY CA . 25988 1 210 . 1 1 46 46 GLY N N 15 109.797 0.026 . 1 . . . . 1971 GLY N . 25988 1 211 . 1 1 47 47 ASP H H 1 8.148 0.001 . 1 . . . . 1972 ASP HN . 25988 1 212 . 1 1 47 47 ASP C C 13 175.591 0.000 . 1 . . . . 1972 ASP C . 25988 1 213 . 1 1 47 47 ASP CA C 13 54.616 0.024 . 1 . . . . 1972 ASP CA . 25988 1 214 . 1 1 47 47 ASP CB C 13 41.549 0.039 . 1 . . . . 1972 ASP CB . 25988 1 215 . 1 1 47 47 ASP N N 15 121.349 0.011 . 1 . . . . 1972 ASP N . 25988 1 216 . 1 1 48 48 TRP H H 1 9.269 0.002 . 1 . . . . 1973 TRP HN . 25988 1 217 . 1 1 48 48 TRP C C 13 172.164 0.000 . 1 . . . . 1973 TRP C . 25988 1 218 . 1 1 48 48 TRP CA C 13 59.256 0.044 . 1 . . . . 1973 TRP CA . 25988 1 219 . 1 1 48 48 TRP CB C 13 30.447 0.028 . 1 . . . . 1973 TRP CB . 25988 1 220 . 1 1 48 48 TRP N N 15 124.982 0.070 . 1 . . . . 1973 TRP N . 25988 1 221 . 1 1 49 49 PHE H H 1 6.787 0.001 . 1 . . . . 1974 PHE HN . 25988 1 222 . 1 1 49 49 PHE CA C 13 54.861 0.102 . 1 . . . . 1974 PHE CA . 25988 1 223 . 1 1 49 49 PHE CB C 13 42.134 0.070 . 1 . . . . 1974 PHE CB . 25988 1 224 . 1 1 49 49 PHE N N 15 122.986 0.040 . 1 . . . . 1974 PHE N . 25988 1 225 . 1 1 50 50 CYS H H 1 9.251 0.003 . 1 . . . . 1975 CYS HN . 25988 1 226 . 1 1 50 50 CYS C C 13 173.459 0.000 . 1 . . . . 1975 CYS C . 25988 1 227 . 1 1 50 50 CYS CA C 13 57.007 0.050 . 1 . . . . 1975 CYS CA . 25988 1 228 . 1 1 50 50 CYS CB C 13 29.180 0.000 . 1 . . . . 1975 CYS CB . 25988 1 229 . 1 1 50 50 CYS N N 15 126.000 0.068 . 1 . . . . 1975 CYS N . 25988 1 230 . 1 1 51 51 PRO C C 13 178.945 0.000 . 1 . . . . 1976 PRO C . 25988 1 231 . 1 1 51 51 PRO CA C 13 65.738 0.018 . 1 . . . . 1976 PRO CA . 25988 1 232 . 1 1 51 51 PRO CB C 13 31.881 0.003 . 1 . . . . 1976 PRO CB . 25988 1 233 . 1 1 52 52 ALA H H 1 8.021 0.001 . 1 . . . . 1977 ALA HN . 25988 1 234 . 1 1 52 52 ALA C C 13 180.312 0.000 . 1 . . . . 1977 ALA C . 25988 1 235 . 1 1 52 52 ALA CA C 13 54.954 0.084 . 1 . . . . 1977 ALA CA . 25988 1 236 . 1 1 52 52 ALA CB C 13 18.754 0.041 . 1 . . . . 1977 ALA CB . 25988 1 237 . 1 1 52 52 ALA N N 15 121.599 0.069 . 1 . . . . 1977 ALA N . 25988 1 238 . 1 1 53 53 CYS H H 1 8.357 0.001 . 1 . . . . 1978 CYS HN . 25988 1 239 . 1 1 53 53 CYS C C 13 178.613 0.000 . 1 . . . . 1978 CYS C . 25988 1 240 . 1 1 53 53 CYS CA C 13 65.466 0.030 . 1 . . . . 1978 CYS CA . 25988 1 241 . 1 1 53 53 CYS CB C 13 28.534 0.005 . 1 . . . . 1978 CYS CB . 25988 1 242 . 1 1 53 53 CYS N N 15 122.704 0.013 . 1 . . . . 1978 CYS N . 25988 1 243 . 1 1 54 54 ILE H H 1 8.125 0.002 . 1 . . . . 1979 ILE HN . 25988 1 244 . 1 1 54 54 ILE C C 13 178.015 0.000 . 1 . . . . 1979 ILE C . 25988 1 245 . 1 1 54 54 ILE CA C 13 63.235 0.041 . 1 . . . . 1979 ILE CA . 25988 1 246 . 1 1 54 54 ILE CB C 13 37.327 0.051 . 1 . . . . 1979 ILE CB . 25988 1 247 . 1 1 54 54 ILE N N 15 120.924 0.025 . 1 . . . . 1979 ILE N . 25988 1 248 . 1 1 55 55 ALA H H 1 7.631 0.001 . 1 . . . . 1980 ALA HN . 25988 1 249 . 1 1 55 55 ALA C C 13 178.660 0.000 . 1 . . . . 1980 ALA C . 25988 1 250 . 1 1 55 55 ALA CA C 13 53.733 0.026 . 1 . . . . 1980 ALA CA . 25988 1 251 . 1 1 55 55 ALA CB C 13 18.193 0.065 . 1 . . . . 1980 ALA CB . 25988 1 252 . 1 1 55 55 ALA N N 15 121.906 0.052 . 1 . . . . 1980 ALA N . 25988 1 253 . 1 1 56 56 LYS H H 1 7.368 0.002 . 1 . . . . 1981 LYS HN . 25988 1 254 . 1 1 56 56 LYS C C 13 176.307 0.000 . 1 . . . . 1981 LYS C . 25988 1 255 . 1 1 56 56 LYS CA C 13 57.047 0.079 . 1 . . . . 1981 LYS CA . 25988 1 256 . 1 1 56 56 LYS CB C 13 32.597 0.017 . 1 . . . . 1981 LYS CB . 25988 1 257 . 1 1 56 56 LYS N N 15 117.421 0.010 . 1 . . . . 1981 LYS N . 25988 1 258 . 1 1 57 57 ALA H H 1 7.544 0.001 . 1 . . . . 1982 ALA HN . 25988 1 259 . 1 1 57 57 ALA C C 13 176.698 0.000 . 1 . . . . 1982 ALA C . 25988 1 260 . 1 1 57 57 ALA CA C 13 52.346 0.051 . 1 . . . . 1982 ALA CA . 25988 1 261 . 1 1 57 57 ALA CB C 13 19.093 0.039 . 1 . . . . 1982 ALA CB . 25988 1 262 . 1 1 57 57 ALA N N 15 123.317 0.059 . 1 . . . . 1982 ALA N . 25988 1 263 . 1 1 58 58 SER H H 1 7.561 0.001 . 1 . . . . 1983 SER HN . 25988 1 264 . 1 1 58 58 SER CA C 13 60.121 0.004 . 1 . . . . 1983 SER CA . 25988 1 265 . 1 1 58 58 SER CB C 13 64.860 0.000 . 1 . . . . 1983 SER CB . 25988 1 266 . 1 1 58 58 SER N N 15 120.376 0.034 . 1 . . . . 1983 SER N . 25988 1 stop_ save_