Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
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 19796
_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' 1 $sample_1 . 19796 1
2 '3D HNCO' 1 $sample_1 . 19796 1
3 '3D HNCACB' 1 $sample_1 . 19796 1
4 '3D CBCA(CO)NH' 1 $sample_1 . 19796 1
5 '3D HN(CO)CA' 1 $sample_1 . 19796 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 $CCPN . . 19796 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 ARG C C 13 176.101 0.000 . 1 . . 224 . . -2 ARG C . 19796 1
2 . 1 1 2 2 ARG CA C 13 56.215 0.000 . 1 . . 164 . . -2 ARG CA . 19796 1
3 . 1 1 2 2 ARG CB C 13 30.987 0.000 . 1 . . 167 . . -2 ARG CB . 19796 1
4 . 1 1 3 3 ALA H H 1 8.700 0.002 . 1 . . 92 . . -1 ALA H . 19796 1
5 . 1 1 3 3 ALA C C 13 177.718 0.000 . 1 . . 335 . . -1 ALA C . 19796 1
6 . 1 1 3 3 ALA CA C 13 52.544 0.01 . 1 . . 163 . . -1 ALA CA . 19796 1
7 . 1 1 3 3 ALA CB C 13 18.975 0.005 . 1 . . 166 . . -1 ALA CB . 19796 1
8 . 1 1 3 3 ALA N N 15 126.543 0.038 . 1 . . 93 . . -1 ALA N . 19796 1
9 . 1 1 4 4 MET H H 1 8.637 0.001 . 1 . . 18 . . 0 MET H . 19796 1
10 . 1 1 4 4 MET C C 13 176.840 0.000 . 1 . . 256 . . 0 MET C . 19796 1
11 . 1 1 4 4 MET CA C 13 55.343 0.015 . 1 . . 165 . . 0 MET CA . 19796 1
12 . 1 1 4 4 MET CB C 13 32.964 0.068 . 1 . . 168 . . 0 MET CB . 19796 1
13 . 1 1 4 4 MET N N 15 120.610 0.011 . 1 . . 19 . . 0 MET N . 19796 1
14 . 1 1 5 5 GLY H H 1 8.564 0.002 . 1 . . 57 . . 1925 GLY H . 19796 1
15 . 1 1 5 5 GLY CA C 13 45.094 0.042 . 1 . . 207 . . 1925 GLY CA . 19796 1
16 . 1 1 5 5 GLY N N 15 110.197 0.033 . 1 . . 58 . . 1925 GLY N . 19796 1
17 . 1 1 6 6 LEU H H 1 8.349 0.0 . 1 . . 209 . . 1926 LEU H . 19796 1
18 . 1 1 6 6 LEU CA C 13 53.176 0.000 . 1 . . 210 . . 1926 LEU CA . 19796 1
19 . 1 1 6 6 LEU CB C 13 41.441 0.000 . 1 . . 211 . . 1926 LEU CB . 19796 1
20 . 1 1 6 6 LEU N N 15 122.999 0.024 . 1 . . 208 . . 1926 LEU N . 19796 1
21 . 1 1 9 9 GLU C C 13 176.934 0.000 . 1 . . 297 . . 1929 GLU C . 19796 1
22 . 1 1 9 9 GLU CA C 13 56.819 0.000 . 1 . . 299 . . 1929 GLU CA . 19796 1
23 . 1 1 9 9 GLU CB C 13 30.157 0.000 . 1 . . 298 . . 1929 GLU CB . 19796 1
24 . 1 1 10 10 ARG H H 1 8.590 0.001 . 1 . . 67 . . 1930 ARG H . 19796 1
25 . 1 1 10 10 ARG C C 13 176.991 0.000 . 1 . . 296 . . 1930 ARG C . 19796 1
26 . 1 1 10 10 ARG CA C 13 56.564 0.006 . 1 . . 295 . . 1930 ARG CA . 19796 1
27 . 1 1 10 10 ARG CB C 13 30.722 0.051 . 1 . . 294 . . 1930 ARG CB . 19796 1
28 . 1 1 10 10 ARG N N 15 121.928 0.047 . 1 . . 68 . . 1930 ARG N . 19796 1
29 . 1 1 11 11 GLY H H 1 8.549 0.001 . 1 . . 102 . . 1931 GLY H . 19796 1
30 . 1 1 11 11 GLY C C 13 174.253 0.000 . 1 . . 273 . . 1931 GLY C . 19796 1
31 . 1 1 11 11 GLY CA C 13 45.307 0.019 . 1 . . 271 . . 1931 GLY CA . 19796 1
32 . 1 1 11 11 GLY N N 15 109.623 0.021 . 1 . . 103 . . 1931 GLY N . 19796 1
33 . 1 1 12 12 LEU H H 1 8.289 0.002 . 1 . . 201 . . 1932 LEU H . 19796 1
34 . 1 1 12 12 LEU C C 13 177.761 0.000 . 1 . . 274 . . 1932 LEU C . 19796 1
35 . 1 1 12 12 LEU CA C 13 55.373 0.024 . 1 . . 272 . . 1932 LEU CA . 19796 1
36 . 1 1 12 12 LEU CB C 13 42.376 0.017 . 1 . . 270 . . 1932 LEU CB . 19796 1
37 . 1 1 12 12 LEU N N 15 121.813 0.04 . 1 . . 202 . . 1932 LEU N . 19796 1
38 . 1 1 13 13 ARG H H 1 8.571 0.001 . 1 . . 107 . . 1933 ARG H . 19796 1
39 . 1 1 13 13 ARG C C 13 176.791 0.000 . 1 . . 284 . . 1933 ARG C . 19796 1
40 . 1 1 13 13 ARG CA C 13 56.216 0.052 . 1 . . 275 . . 1933 ARG CA . 19796 1
41 . 1 1 13 13 ARG CB C 13 30.580 0.005 . 1 . . 276 . . 1933 ARG CB . 19796 1
42 . 1 1 13 13 ARG N N 15 121.612 0.044 . 1 . . 108 . . 1933 ARG N . 19796 1
43 . 1 1 14 14 GLY H H 1 8.466 0.004 . 1 . . 83 . . 1934 GLY H . 19796 1
44 . 1 1 14 14 GLY C C 13 173.809 0.000 . 1 . . 287 . . 1934 GLY C . 19796 1
45 . 1 1 14 14 GLY CA C 13 44.898 0.047 . 1 . . 283 . . 1934 GLY CA . 19796 1
46 . 1 1 14 14 GLY N N 15 110.030 0.082 . 1 . . 84 . . 1934 GLY N . 19796 1
47 . 1 1 15 15 GLU H H 1 8.491 0.001 . 1 . . 104 . . 1935 GLU H . 19796 1
48 . 1 1 15 15 GLU CA C 13 54.479 0.000 . 1 . . 286 . . 1935 GLU CA . 19796 1
49 . 1 1 15 15 GLU CB C 13 29.313 0.000 . 1 . . 285 . . 1935 GLU CB . 19796 1
50 . 1 1 15 15 GLU N N 15 121.819 0.034 . 1 . . 105 . . 1935 GLU N . 19796 1
51 . 1 1 17 17 GLY C C 13 174.213 0.000 . 1 . . 233 . . 1937 GLY C . 19796 1
52 . 1 1 17 17 GLY CA C 13 45.176 0.000 . 1 . . 171 . . 1937 GLY CA . 19796 1
53 . 1 1 18 18 SER H H 1 8.240 0.001 . 1 . . 79 . . 1938 SER H . 19796 1
54 . 1 1 18 18 SER CA C 13 58.404 0.002 . 1 . . 169 . . 1938 SER CA . 19796 1
55 . 1 1 18 18 SER CB C 13 64.099 0.018 . 1 . . 170 . . 1938 SER CB . 19796 1
56 . 1 1 18 18 SER N N 15 115.801 0.027 . 1 . . 80 . . 1938 SER N . 19796 1
57 . 1 1 19 19 VAL H H 1 8.364 0.001 . 1 . . 130 . . 1939 VAL H . 19796 1
58 . 1 1 19 19 VAL CA C 13 59.991 0.000 . 1 . . 172 . . 1939 VAL CA . 19796 1
59 . 1 1 19 19 VAL CB C 13 32.614 0.000 . 1 . . 173 . . 1939 VAL CB . 19796 1
60 . 1 1 19 19 VAL N N 15 123.170 0.017 . 1 . . 131 . . 1939 VAL N . 19796 1
61 . 1 1 20 20 PRO C C 13 176.592 0.000 . 1 . . 223 . . 1940 PRO C . 19796 1
62 . 1 1 20 20 PRO CA C 13 63.301 0.000 . 1 . . 187 . . 1940 PRO CA . 19796 1
63 . 1 1 20 20 PRO CB C 13 32.229 0.000 . 1 . . 189 . . 1940 PRO CB . 19796 1
64 . 1 1 21 21 ASN H H 1 8.714 0.002 . 1 . . 59 . . 1941 ASN H . 19796 1
65 . 1 1 21 21 ASN HD21 H 1 7.071 0.001 . 1 . . 42 . . 1941 ASN HD21 . 19796 1
66 . 1 1 21 21 ASN HD22 H 1 7.775 0.001 . 1 . . 3 . . 1941 ASN HD22 . 19796 1
67 . 1 1 21 21 ASN C C 13 175.645 0.000 . 1 . . 232 . . 1941 ASN C . 19796 1
68 . 1 1 21 21 ASN CA C 13 53.560 0.006 . 1 . . 186 . . 1941 ASN CA . 19796 1
69 . 1 1 21 21 ASN CB C 13 38.857 0.004 . 1 . . 188 . . 1941 ASN CB . 19796 1
70 . 1 1 21 21 ASN CG C 13 176.968 0.000 . 1 . . 315 . . 1941 ASN CG . 19796 1
71 . 1 1 21 21 ASN N N 15 119.799 0.047 . 1 . . 60 . . 1941 ASN N . 19796 1
72 . 1 1 21 21 ASN ND2 N 15 113.519 0.076 . 1 . . 4 . . 1941 ASN ND2 . 19796 1
73 . 1 1 22 22 VAL H H 1 8.296 0.002 . 1 . . 111 . . 1942 VAL H . 19796 1
74 . 1 1 22 22 VAL C C 13 175.947 0.000 . 1 . . 231 . . 1942 VAL C . 19796 1
75 . 1 1 22 22 VAL CA C 13 62.686 0.005 . 1 . . 190 . . 1942 VAL CA . 19796 1
76 . 1 1 22 22 VAL CB C 13 32.719 0.062 . 1 . . 192 . . 1942 VAL CB . 19796 1
77 . 1 1 22 22 VAL N N 15 120.781 0.033 . 1 . . 112 . . 1942 VAL N . 19796 1
78 . 1 1 23 23 ASP H H 1 8.473 0.002 . 1 . . 14 . . 1943 ASP H . 19796 1
79 . 1 1 23 23 ASP C C 13 176.737 0.000 . 1 . . 244 . . 1943 ASP C . 19796 1
80 . 1 1 23 23 ASP CA C 13 54.782 0.007 . 1 . . 197 . . 1943 ASP CA . 19796 1
81 . 1 1 23 23 ASP CB C 13 41.074 0.066 . 1 . . 196 . . 1943 ASP CB . 19796 1
82 . 1 1 23 23 ASP N N 15 123.710 0.036 . 1 . . 15 . . 1943 ASP N . 19796 1
83 . 1 1 24 24 ARG H H 1 8.362 0.002 . 1 . . 20 . . 1944 ARG H . 19796 1
84 . 1 1 24 24 ARG C C 13 176.753 0.000 . 1 . . 279 . . 1944 ARG C . 19796 1
85 . 1 1 24 24 ARG CA C 13 56.672 0.000 . 1 . . 246 . . 1944 ARG CA . 19796 1
86 . 1 1 24 24 ARG CB C 13 30.344 0.000 . 1 . . 245 . . 1944 ARG CB . 19796 1
87 . 1 1 24 24 ARG N N 15 121.983 0.042 . 1 . . 21 . . 1944 ARG N . 19796 1
88 . 1 1 25 25 LEU H H 1 8.347 0.001 . 1 . . 278 . . 1945 LEU H . 19796 1
89 . 1 1 25 25 LEU C C 13 177.942 0.000 . 1 . . 253 . . 1945 LEU C . 19796 1
90 . 1 1 25 25 LEU CA C 13 55.908 0.029 . 1 . . 252 . . 1945 LEU CA . 19796 1
91 . 1 1 25 25 LEU CB C 13 41.687 0.013 . 1 . . 251 . . 1945 LEU CB . 19796 1
92 . 1 1 25 25 LEU N N 15 122.378 0.047 . 1 . . 91 . . 1945 LEU N . 19796 1
93 . 1 1 26 26 LEU H H 1 8.194 0.002 . 1 . . 53 . . 1946 LEU H . 19796 1
94 . 1 1 26 26 LEU C C 13 177.908 0.000 . 1 . . 241 . . 1946 LEU C . 19796 1
95 . 1 1 26 26 LEU CA C 13 55.525 0.003 . 1 . . 250 . . 1946 LEU CA . 19796 1
96 . 1 1 26 26 LEU CB C 13 42.062 0.056 . 1 . . 242 . . 1946 LEU CB . 19796 1
97 . 1 1 26 26 LEU N N 15 122.039 0.047 . 1 . . 54 . . 1946 LEU N . 19796 1
98 . 1 1 27 27 GLU H H 1 8.386 0.002 . 1 . . 13 . . 1947 GLU H . 19796 1
99 . 1 1 27 27 GLU C C 13 177.169 0.000 . 1 . . 234 . . 1947 GLU C . 19796 1
100 . 1 1 27 27 GLU CA C 13 56.964 0.013 . 1 . . 119 . . 1947 GLU CA . 19796 1
101 . 1 1 27 27 GLU CB C 13 30.207 0.025 . 1 . . 120 . . 1947 GLU CB . 19796 1
102 . 1 1 27 27 GLU N N 15 121.676 0.055 . 1 . . 240 . . 1947 GLU N . 19796 1
103 . 1 1 28 28 THR H H 1 8.237 0.003 . 1 . . 47 . . 1948 THR H . 19796 1
104 . 1 1 28 28 THR C C 13 174.707 0.000 . 1 . . 227 . . 1948 THR C . 19796 1
105 . 1 1 28 28 THR CA C 13 62.427 0.031 . 1 . . 118 . . 1948 THR CA . 19796 1
106 . 1 1 28 28 THR CB C 13 69.803 0.016 . 1 . . 117 . . 1948 THR CB . 19796 1
107 . 1 1 28 28 THR N N 15 114.959 0.024 . 1 . . 48 . . 1948 THR N . 19796 1
108 . 1 1 29 29 ALA H H 1 8.410 0.002 . 1 . . 38 . . 1949 ALA H . 19796 1
109 . 1 1 29 29 ALA C C 13 178.472 0.000 . 1 . . 220 . . 1949 ALA C . 19796 1
110 . 1 1 29 29 ALA CA C 13 53.108 0.005 . 1 . . 115 . . 1949 ALA CA . 19796 1
111 . 1 1 29 29 ALA CB C 13 19.042 0.051 . 1 . . 113 . . 1949 ALA CB . 19796 1
112 . 1 1 29 29 ALA N N 15 126.306 0.055 . 1 . . 39 . . 1949 ALA N . 19796 1
113 . 1 1 30 30 GLY H H 1 8.441 0.003 . 1 . . 22 . . 1950 GLY H . 19796 1
114 . 1 1 30 30 GLY C C 13 174.331 0.000 . 1 . . 334 . . 1950 GLY C . 19796 1
115 . 1 1 30 30 GLY CA C 13 45.381 0.004 . 1 . . 114 . . 1950 GLY CA . 19796 1
116 . 1 1 30 30 GLY N N 15 108.107 0.039 . 1 . . 23 . . 1950 GLY N . 19796 1
117 . 1 1 31 31 ILE H H 1 8.067 0.001 . 1 . . 73 . . 1951 ILE H . 19796 1
118 . 1 1 31 31 ILE C C 13 176.699 0.000 . 1 . . 333 . . 1951 ILE C . 19796 1
119 . 1 1 31 31 ILE CA C 13 61.479 0.004 . 1 . . 133 . . 1951 ILE CA . 19796 1
120 . 1 1 31 31 ILE CB C 13 38.602 0.001 . 1 . . 132 . . 1951 ILE CB . 19796 1
121 . 1 1 31 31 ILE N N 15 121.055 0.03 . 1 . . 74 . . 1951 ILE N . 19796 1
122 . 1 1 32 32 LYS H H 1 8.530 0.003 . 1 . . 32 . . 1952 LYS H . 19796 1
123 . 1 1 32 32 LYS C C 13 176.682 0.000 . 1 . . 332 . . 1952 LYS C . 19796 1
124 . 1 1 32 32 LYS CA C 13 56.433 0.016 . 1 . . 135 . . 1952 LYS CA . 19796 1
125 . 1 1 32 32 LYS CB C 13 32.983 0.004 . 1 . . 134 . . 1952 LYS CB . 19796 1
126 . 1 1 32 32 LYS N N 15 125.995 0.018 . 1 . . 33 . . 1952 LYS N . 19796 1
127 . 1 1 33 33 ALA H H 1 8.510 0.002 . 1 . . 137 . . 1953 ALA H . 19796 1
128 . 1 1 33 33 ALA CA C 13 52.884 0.047 . 1 . . 139 . . 1953 ALA CA . 19796 1
129 . 1 1 33 33 ALA CB C 13 19.091 0.005 . 1 . . 138 . . 1953 ALA CB . 19796 1
130 . 1 1 33 33 ALA N N 15 125.754 0.023 . 1 . . 136 . . 1953 ALA N . 19796 1
131 . 1 1 34 34 SER H H 1 8.424 0.003 . 1 . . 89 . . 1954 SER H . 19796 1
132 . 1 1 34 34 SER C C 13 174.666 0.000 . 1 . . 237 . . 1954 SER C . 19796 1
133 . 1 1 34 34 SER CA C 13 58.738 0.048 . 1 . . 142 . . 1954 SER CA . 19796 1
134 . 1 1 34 34 SER CB C 13 63.733 0.022 . 1 . . 143 . . 1954 SER CB . 19796 1
135 . 1 1 34 34 SER N N 15 115.327 0.03 . 1 . . 90 . . 1954 SER N . 19796 1
136 . 1 1 35 35 ALA H H 1 8.379 0.004 . 1 . . 141 . . 1955 ALA H . 19796 1
137 . 1 1 35 35 ALA C C 13 177.903 0.000 . 1 . . 331 . . 1955 ALA C . 19796 1
138 . 1 1 35 35 ALA CA C 13 52.717 0.025 . 1 . . 144 . . 1955 ALA CA . 19796 1
139 . 1 1 35 35 ALA CB C 13 19.146 0.021 . 1 . . 145 . . 1955 ALA CB . 19796 1
140 . 1 1 35 35 ALA N N 15 126.034 0.048 . 1 . . 140 . . 1955 ALA N . 19796 1
141 . 1 1 36 36 LEU H H 1 8.202 0.001 . 1 . . 87 . . 1956 LEU H . 19796 1
142 . 1 1 36 36 LEU CA C 13 55.387 0.002 . 1 . . 146 . . 1956 LEU CA . 19796 1
143 . 1 1 36 36 LEU CB C 13 42.187 0.028 . 1 . . 147 . . 1956 LEU CB . 19796 1
144 . 1 1 36 36 LEU N N 15 121.081 0.025 . 1 . . 88 . . 1956 LEU N . 19796 1
145 . 1 1 37 37 ARG H H 1 8.311 0.0 . 1 . . 148 . . 1957 ARG H . 19796 1
146 . 1 1 37 37 ARG C C 13 176.111 0.000 . 1 . . 282 . . 1957 ARG C . 19796 1
147 . 1 1 37 37 ARG CA C 13 56.151 0.032 . 1 . . 281 . . 1957 ARG CA . 19796 1
148 . 1 1 37 37 ARG CB C 13 30.837 0.036 . 1 . . 280 . . 1957 ARG CB . 19796 1
149 . 1 1 37 37 ARG N N 15 121.850 0.037 . 1 . . 149 . . 1957 ARG N . 19796 1
150 . 1 1 38 38 GLU H H 1 8.502 0.002 . 1 . . 9 . . 1958 GLU H . 19796 1
151 . 1 1 38 38 GLU CA C 13 56.613 0.022 . 1 . . 212 . . 1958 GLU CA . 19796 1
152 . 1 1 38 38 GLU CB C 13 30.296 0.055 . 1 . . 213 . . 1958 GLU CB . 19796 1
153 . 1 1 38 38 GLU N N 15 122.210 0.057 . 1 . . 10 . . 1958 GLU N . 19796 1
154 . 1 1 39 39 ILE H H 1 8.354 0.002 . 1 . . 61 . . 1959 ILE H . 19796 1
155 . 1 1 39 39 ILE C C 13 176.179 0.000 . 1 . . 228 . . 1959 ILE C . 19796 1
156 . 1 1 39 39 ILE CA C 13 61.155 0.056 . 1 . . 128 . . 1959 ILE CA . 19796 1
157 . 1 1 39 39 ILE CB C 13 38.599 0.019 . 1 . . 129 . . 1959 ILE CB . 19796 1
158 . 1 1 39 39 ILE N N 15 122.945 0.024 . 1 . . 62 . . 1959 ILE N . 19796 1
159 . 1 1 40 40 VAL H H 1 8.432 0.001 . 1 . . 81 . . 1960 VAL H . 19796 1
160 . 1 1 40 40 VAL C C 13 175.921 0.000 . 1 . . 226 . . 1960 VAL C . 19796 1
161 . 1 1 40 40 VAL CA C 13 62.206 0.01 . 1 . . 126 . . 1960 VAL CA . 19796 1
162 . 1 1 40 40 VAL CB C 13 32.849 0.017 . 1 . . 127 . . 1960 VAL CB . 19796 1
163 . 1 1 40 40 VAL N N 15 125.022 0.033 . 1 . . 82 . . 1960 VAL N . 19796 1
164 . 1 1 41 41 GLU H H 1 8.575 0.003 . 1 . . 109 . . 1961 GLU H . 19796 1
165 . 1 1 41 41 GLU C C 13 176.082 0.000 . 1 . . 221 . . 1961 GLU C . 19796 1
166 . 1 1 41 41 GLU CA C 13 56.206 0.011 . 1 . . 124 . . 1961 GLU CA . 19796 1
167 . 1 1 41 41 GLU CB C 13 31.136 0.076 . 1 . . 125 . . 1961 GLU CB . 19796 1
168 . 1 1 41 41 GLU N N 15 124.769 0.036 . 1 . . 110 . . 1961 GLU N . 19796 1
169 . 1 1 42 42 THR H H 1 8.607 0.002 . 1 . . 7 . . 1962 THR H . 19796 1
170 . 1 1 42 42 THR C C 13 173.813 0.000 . 1 . . 229 . . 1962 THR C . 19796 1
171 . 1 1 42 42 THR CA C 13 61.326 0.026 . 1 . . 121 . . 1962 THR CA . 19796 1
172 . 1 1 42 42 THR CB C 13 70.579 0.036 . 1 . . 116 . . 1962 THR CB . 19796 1
173 . 1 1 42 42 THR N N 15 115.434 0.044 . 1 . . 8 . . 1962 THR N . 19796 1
174 . 1 1 43 43 TRP H H 1 8.734 0.002 . 1 . . 55 . . 1963 TRP H . 19796 1
175 . 1 1 43 43 TRP HE1 H 1 10.242 0.000 . 1 . . 1 . . 1963 TRP HE1 . 19796 1
176 . 1 1 43 43 TRP C C 13 174.960 0.000 . 1 . . 225 . . 1963 TRP C . 19796 1
177 . 1 1 43 43 TRP CA C 13 57.514 0.009 . 1 . . 122 . . 1963 TRP CA . 19796 1
178 . 1 1 43 43 TRP CB C 13 29.844 0.01 . 1 . . 123 . . 1963 TRP CB . 19796 1
179 . 1 1 43 43 TRP N N 15 125.351 0.033 . 1 . . 56 . . 1963 TRP N . 19796 1
180 . 1 1 43 43 TRP NE1 N 15 129.267 0.000 . 1 . . 2 . . 1963 TRP NE1 . 19796 1
181 . 1 1 44 44 ASP H H 1 8.208 0.002 . 1 . . 85 . . 1964 ASP H . 19796 1
182 . 1 1 44 44 ASP C C 13 175.243 0.000 . 1 . . 236 . . 1964 ASP C . 19796 1
183 . 1 1 44 44 ASP CA C 13 53.063 0.01 . 1 . . 150 . . 1964 ASP CA . 19796 1
184 . 1 1 44 44 ASP CB C 13 42.063 0.019 . 1 . . 151 . . 1964 ASP CB . 19796 1
185 . 1 1 44 44 ASP N N 15 126.354 0.068 . 1 . . 86 . . 1964 ASP N . 19796 1
186 . 1 1 45 45 GLU H H 1 8.662 0.002 . 1 . . 96 . . 1965 GLU H . 19796 1
187 . 1 1 45 45 GLU CA C 13 58.173 0.045 . 1 . . 152 . . 1965 GLU CA . 19796 1
188 . 1 1 45 45 GLU CB C 13 29.730 0.025 . 1 . . 153 . . 1965 GLU CB . 19796 1
189 . 1 1 45 45 GLU N N 15 124.845 0.03 . 1 . . 97 . . 1965 GLU N . 19796 1
190 . 1 1 46 46 SER H H 1 8.437 0.003 . 1 . . 26 . . 1966 SER H . 19796 1
191 . 1 1 46 46 SER C C 13 175.412 0.000 . 1 . . 218 . . 1966 SER C . 19796 1
192 . 1 1 46 46 SER CA C 13 60.508 0.002 . 1 . . 154 . . 1966 SER CA . 19796 1
193 . 1 1 46 46 SER CB C 13 63.286 0.002 . 1 . . 155 . . 1966 SER CB . 19796 1
194 . 1 1 46 46 SER N N 15 115.096 0.073 . 1 . . 27 . . 1966 SER N . 19796 1
195 . 1 1 47 47 SER H H 1 7.888 0.001 . 1 . . 28 . . 1967 SER H . 19796 1
196 . 1 1 47 47 SER C C 13 175.535 0.000 . 1 . . 219 . . 1967 SER C . 19796 1
197 . 1 1 47 47 SER CA C 13 58.842 0.005 . 1 . . 161 . . 1967 SER CA . 19796 1
198 . 1 1 47 47 SER CB C 13 64.306 0.005 . 1 . . 162 . . 1967 SER CB . 19796 1
199 . 1 1 47 47 SER N N 15 115.423 0.02 . 1 . . 29 . . 1967 SER N . 19796 1
200 . 1 1 48 48 GLY H H 1 8.112 0.002 . 1 . . 94 . . 1968 GLY H . 19796 1
201 . 1 1 48 48 GLY C C 13 173.989 0.000 . 1 . . 217 . . 1968 GLY C . 19796 1
202 . 1 1 48 48 GLY CA C 13 46.512 0.023 . 1 . . 156 . . 1968 GLY CA . 19796 1
203 . 1 1 48 48 GLY N N 15 112.813 0.036 . 1 . . 95 . . 1968 GLY N . 19796 1
204 . 1 1 49 49 SER H H 1 7.500 0.002 . 1 . . 5 . . 1969 SER H . 19796 1
205 . 1 1 49 49 SER C C 13 172.805 0.000 . 1 . . 230 . . 1969 SER C . 19796 1
206 . 1 1 49 49 SER CA C 13 57.694 0.029 . 1 . . 157 . . 1969 SER CA . 19796 1
207 . 1 1 49 49 SER CB C 13 65.160 0.001 . 1 . . 158 . . 1969 SER CB . 19796 1
208 . 1 1 49 49 SER N N 15 113.728 0.084 . 1 . . 6 . . 1969 SER N . 19796 1
209 . 1 1 50 50 PHE H H 1 8.496 0.003 . 1 . . 30 . . 1970 PHE H . 19796 1
210 . 1 1 50 50 PHE C C 13 175.749 0.000 . 1 . . 277 . . 1970 PHE C . 19796 1
211 . 1 1 50 50 PHE CA C 13 58.153 0.017 . 1 . . 159 . . 1970 PHE CA . 19796 1
212 . 1 1 50 50 PHE CB C 13 39.950 0.026 . 1 . . 160 . . 1970 PHE CB . 19796 1
213 . 1 1 50 50 PHE N N 15 120.478 0.041 . 1 . . 31 . . 1970 PHE N . 19796 1
214 . 1 1 51 51 LEU H H 1 8.519 0.002 . 1 . . 69 . . 1971 LEU H . 19796 1
215 . 1 1 51 51 LEU CA C 13 52.441 0.000 . 1 . . 205 . . 1971 LEU CA . 19796 1
216 . 1 1 51 51 LEU CB C 13 42.555 0.000 . 1 . . 206 . . 1971 LEU CB . 19796 1
217 . 1 1 51 51 LEU N N 15 125.271 0.075 . 1 . . 70 . . 1971 LEU N . 19796 1
218 . 1 1 52 52 PRO C C 13 176.855 0.000 . 1 . . 239 . . 1972 PRO C . 19796 1
219 . 1 1 52 52 PRO CA C 13 62.685 0.000 . 1 . . 191 . . 1972 PRO CA . 19796 1
220 . 1 1 52 52 PRO CB C 13 31.968 0.000 . 1 . . 214 . . 1972 PRO CB . 19796 1
221 . 1 1 53 53 VAL H H 1 8.393 0.001 . 1 . . 193 . . 1973 VAL H . 19796 1
222 . 1 1 53 53 VAL CA C 13 60.465 0.000 . 1 . . 195 . . 1973 VAL CA . 19796 1
223 . 1 1 53 53 VAL CB C 13 32.357 0.000 . 1 . . 215 . . 1973 VAL CB . 19796 1
224 . 1 1 53 53 VAL N N 15 122.574 0.011 . 1 . . 194 . . 1973 VAL N . 19796 1
225 . 1 1 54 54 PRO C C 13 177.008 0.000 . 1 . . 265 . . 1974 PRO C . 19796 1
226 . 1 1 54 54 PRO CA C 13 63.466 0.000 . 1 . . 263 . . 1974 PRO CA . 19796 1
227 . 1 1 54 54 PRO CB C 13 32.052 0.000 . 1 . . 258 . . 1974 PRO CB . 19796 1
228 . 1 1 55 55 GLU H H 1 8.636 0.003 . 1 . . 34 . . 1975 GLU H . 19796 1
229 . 1 1 55 55 GLU C C 13 176.662 0.000 . 1 . . 304 . . 1975 GLU C . 19796 1
230 . 1 1 55 55 GLU CA C 13 56.885 0.008 . 1 . . 262 . . 1975 GLU CA . 19796 1
231 . 1 1 55 55 GLU CB C 13 30.149 0.03 . 1 . . 257 . . 1975 GLU CB . 19796 1
232 . 1 1 55 55 GLU N N 15 121.293 0.055 . 1 . . 35 . . 1975 GLU N . 19796 1
233 . 1 1 56 56 ARG H H 1 8.518 0.001 . 1 . . 300 . . 1976 ARG H . 19796 1
234 . 1 1 56 56 ARG C C 13 176.264 0.000 . 1 . . 312 . . 1976 ARG C . 19796 1
235 . 1 1 56 56 ARG CA C 13 56.207 0.004 . 1 . . 302 . . 1976 ARG CA . 19796 1
236 . 1 1 56 56 ARG CB C 13 30.533 0.0 . 1 . . 303 . . 1976 ARG CB . 19796 1
237 . 1 1 56 56 ARG N N 15 122.877 0.006 . 1 . . 301 . . 1976 ARG N . 19796 1
238 . 1 1 57 57 ARG H H 1 8.573 0.001 . 1 . . 51 . . 1977 ARG H . 19796 1
239 . 1 1 57 57 ARG C C 13 176.293 0.000 . 1 . . 238 . . 1977 ARG C . 19796 1
240 . 1 1 57 57 ARG CA C 13 56.222 0.039 . 1 . . 311 . . 1977 ARG CA . 19796 1
241 . 1 1 57 57 ARG CB C 13 30.654 0.023 . 1 . . 309 . . 1977 ARG CB . 19796 1
242 . 1 1 57 57 ARG N N 15 123.071 0.075 . 1 . . 52 . . 1977 ARG N . 19796 1
243 . 1 1 58 58 ARG H H 1 8.625 0.003 . 1 . . 43 . . 1978 ARG H . 19796 1
244 . 1 1 58 58 ARG C C 13 176.533 0.000 . 1 . . 307 . . 1978 ARG C . 19796 1
245 . 1 1 58 58 ARG CA C 13 56.144 0.000 . 1 . . 310 . . 1978 ARG CA . 19796 1
246 . 1 1 58 58 ARG CB C 13 30.996 0.017 . 1 . . 308 . . 1978 ARG CB . 19796 1
247 . 1 1 58 58 ARG N N 15 123.309 0.016 . 1 . . 44 . . 1978 ARG N . 19796 1
248 . 1 1 59 59 GLY H H 1 8.481 0.005 . 1 . . 305 . . 1979 GLY H . 19796 1
249 . 1 1 59 59 GLY N N 15 110.422 0.073 . 1 . . 306 . . 1979 GLY N . 19796 1
250 . 1 1 60 60 PRO C C 13 177.448 0.000 . 1 . . 266 . . 1980 PRO C . 19796 1
251 . 1 1 60 60 PRO CA C 13 63.335 0.000 . 1 . . 264 . . 1980 PRO CA . 19796 1
252 . 1 1 60 60 PRO CB C 13 32.099 0.0 . 1 . . 260 . . 1980 PRO CB . 19796 1
253 . 1 1 61 61 LYS H H 1 8.690 0.001 . 1 . . 24 . . 1981 LYS H . 19796 1
254 . 1 1 61 61 LYS C C 13 177.359 0.000 . 1 . . 269 . . 1981 LYS C . 19796 1
255 . 1 1 61 61 LYS CA C 13 56.669 0.027 . 1 . . 261 . . 1981 LYS CA . 19796 1
256 . 1 1 61 61 LYS CB C 13 32.847 0.01 . 1 . . 259 . . 1981 LYS CB . 19796 1
257 . 1 1 61 61 LYS N N 15 121.362 0.032 . 1 . . 25 . . 1981 LYS N . 19796 1
258 . 1 1 62 62 GLY H H 1 8.504 0.004 . 1 . . 267 . . 1982 GLY H . 19796 1
259 . 1 1 62 62 GLY CA C 13 45.309 0.034 . 1 . . 179 . . 1982 GLY CA . 19796 1
260 . 1 1 62 62 GLY N N 15 110.208 0.031 . 1 . . 268 . . 1982 GLY N . 19796 1
261 . 1 1 63 63 ASP H H 1 8.414 0.003 . 1 . . 100 . . 1983 ASP H . 19796 1
262 . 1 1 63 63 ASP C C 13 176.724 0.000 . 1 . . 222 . . 1983 ASP C . 19796 1
263 . 1 1 63 63 ASP CA C 13 54.310 0.011 . 1 . . 177 . . 1983 ASP CA . 19796 1
264 . 1 1 63 63 ASP CB C 13 41.412 0.002 . 1 . . 178 . . 1983 ASP CB . 19796 1
265 . 1 1 63 63 ASP N N 15 120.775 0.009 . 1 . . 101 . . 1983 ASP N . 19796 1
266 . 1 1 64 64 SER H H 1 8.558 0.003 . 1 . . 49 . . 1984 SER H . 19796 1
267 . 1 1 64 64 SER C C 13 175.329 0.000 . 1 . . 235 . . 1984 SER C . 19796 1
268 . 1 1 64 64 SER CA C 13 58.929 0.019 . 1 . . 175 . . 1984 SER CA . 19796 1
269 . 1 1 64 64 SER CB C 13 63.802 0.004 . 1 . . 176 . . 1984 SER CB . 19796 1
270 . 1 1 64 64 SER N N 15 116.658 0.025 . 1 . . 50 . . 1984 SER N . 19796 1
271 . 1 1 65 65 GLY H H 1 8.596 0.002 . 1 . . 63 . . 1985 GLY H . 19796 1
272 . 1 1 65 65 GLY CA C 13 45.377 0.000 . 1 . . 174 . . 1985 GLY CA . 19796 1
273 . 1 1 65 65 GLY N N 15 110.902 0.029 . 1 . . 64 . . 1985 GLY N . 19796 1
274 . 1 1 66 66 GLU C C 13 176.714 0.000 . 1 . . 292 . . 1986 GLU C . 19796 1
275 . 1 1 66 66 GLU CA C 13 56.621 0.015 . 1 . . 291 . . 1986 GLU CA . 19796 1
276 . 1 1 66 66 GLU CB C 13 30.234 0.000 . 1 . . 249 . . 1986 GLU CB . 19796 1
277 . 1 1 67 67 GLN H H 1 8.668 0.001 . 1 . . 77 . . 1987 GLN H . 19796 1
278 . 1 1 67 67 GLN HE21 H 1 7.650 0.001 . 1 . . 75 . . 1987 GLN HE21 . 19796 1
279 . 1 1 67 67 GLN HE22 H 1 6.967 0.001 . 1 . . 106 . . 1987 GLN HE22 . 19796 1
280 . 1 1 67 67 GLN C C 13 176.266 0.000 . 1 . . 293 . . 1987 GLN C . 19796 1
281 . 1 1 67 67 GLN CA C 13 55.957 0.071 . 1 . . 290 . . 1987 GLN CA . 19796 1
282 . 1 1 67 67 GLN CB C 13 29.614 0.003 . 1 . . 289 . . 1987 GLN CB . 19796 1
283 . 1 1 67 67 GLN CD C 13 180.658 0.029 . 1 . . 316 . . 1987 GLN CD . 19796 1
284 . 1 1 67 67 GLN N N 15 121.740 0.033 . 1 . . 78 . . 1987 GLN N . 19796 1
285 . 1 1 67 67 GLN NE2 N 15 113.264 0.097 . 1 . . 76 . . 1987 GLN NE2 . 19796 1
286 . 1 1 68 68 GLY H H 1 8.463 0.003 . 1 . . 65 . . 1988 GLY H . 19796 1
287 . 1 1 68 68 GLY CA C 13 44.481 0.000 . 1 . . 288 . . 1988 GLY CA . 19796 1
288 . 1 1 68 68 GLY N N 15 110.621 0.073 . 1 . . 66 . . 1988 GLY N . 19796 1
289 . 1 1 71 71 GLY CA C 13 45.194 0.000 . 1 . . 200 . . 1991 GLY CA . 19796 1
290 . 1 1 72 72 LYS H H 1 8.302 0.004 . 1 . . 16 . . 1992 LYS H . 19796 1
291 . 1 1 72 72 LYS C C 13 175.822 0.000 . 1 . . 330 . . 1992 LYS C . 19796 1
292 . 1 1 72 72 LYS CA C 13 56.197 0.006 . 1 . . 199 . . 1992 LYS CA . 19796 1
293 . 1 1 72 72 LYS CB C 13 33.258 0.033 . 1 . . 203 . . 1992 LYS CB . 19796 1
294 . 1 1 72 72 LYS N N 15 121.717 0.09 . 1 . . 17 . . 1992 LYS N . 19796 1
295 . 1 1 73 73 GLU H H 1 8.284 0.001 . 1 . . 11 . . 1993 GLU H . 19796 1
296 . 1 1 73 73 GLU CA C 13 58.334 0.000 . 1 . . 198 . . 1993 GLU CA . 19796 1
297 . 1 1 73 73 GLU CB C 13 30.947 0.000 . 1 . . 204 . . 1993 GLU CB . 19796 1
298 . 1 1 73 73 GLU N N 15 127.929 0.029 . 1 . . 12 . . 1993 GLU N . 19796 1
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