data_19759
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19759
_Entry.PDB_ID 2MK7
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 19759
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.459 0.191 19759
2 1 1 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.998 -1.228 19759
3 1 1 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.709 0.411 19759
4 1 1 . 1 1 4 4 THR N N 4 113.200 113.200 116.260 -3.060 19759
5 1 1 . 1 1 4 4 THR HA H 4 4.710 4.710 4.469 0.241 19759
6 1 1 . 1 1 4 4 THR CA C 4 59.900 59.900 60.785 -0.885 19759
7 1 1 . 1 1 4 4 THR CB C 4 79.320 79.320 70.168 9.152 19759
8 1 1 . 1 1 4 4 THR H H 4 8.710 8.710 8.012 0.698 19759
9 1 1 . 1 1 5 5 THR N N 5 111.800 111.800 113.755 -1.955 19759
10 1 1 . 1 1 5 5 THR HA H 5 4.790 4.790 4.613 0.177 19759
11 1 1 . 1 1 5 5 THR CA C 5 59.280 59.280 61.309 -2.030 19759
12 1 1 . 1 1 5 5 THR CB C 5 80.090 80.090 70.744 9.346 19759
13 1 1 . 1 1 5 5 THR H H 5 8.910 8.910 8.101 0.809 19759
14 1 1 . 1 1 6 6 THR N N 6 110.600 110.600 115.375 -4.775 19759
15 1 1 . 1 1 6 6 THR HA H 6 4.750 4.750 4.572 0.178 19759
16 1 1 . 1 1 6 6 THR CA C 6 59.270 59.270 61.168 -1.898 19759
17 1 1 . 1 1 6 6 THR CB C 6 80.720 80.720 70.349 10.371 19759
18 1 1 . 1 1 6 6 THR H H 6 8.940 8.940 8.313 0.627 19759
19 1 1 . 1 1 7 7 THR N N 7 109.800 109.800 112.866 -3.066 19759
20 1 1 . 1 1 7 7 THR HA H 7 4.530 4.530 4.443 0.087 19759
21 1 1 . 1 1 7 7 THR CA C 7 59.220 59.220 61.536 -2.316 19759
22 1 1 . 1 1 7 7 THR CB C 7 79.400 79.400 70.040 9.360 19759
23 1 1 . 1 1 7 7 THR H H 7 8.880 8.880 8.228 0.652 19759
24 1 1 . 1 1 8 8 LYS N N 8 119.600 119.600 123.622 -4.022 19759
25 1 1 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.273 -0.033 19759
26 1 1 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.124 -0.784 19759
27 1 1 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.167 0.773 19759
28 1 1 . 1 1 8 8 LYS H H 8 8.460 8.460 8.457 0.003 19759
29 1 1 . 1 1 9 9 LYS N N 9 124.600 124.600 126.896 -2.296 19759
30 1 1 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.411 -0.011 19759
31 1 1 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.169 -0.599 19759
32 1 1 . 1 1 9 9 LYS CB C 9 32.580 32.580 32.186 0.394 19759
33 1 1 . 1 1 9 9 LYS H H 9 8.500 8.500 8.430 0.070 19759
34 1 2 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.688 -0.038 19759
35 1 2 . 1 1 3 3 PRO CA C 3 62.770 62.770 64.127 -1.357 19759
36 1 2 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.012 0.108 19759
37 1 2 . 1 1 4 4 THR N N 4 113.200 113.200 112.416 0.784 19759
38 1 2 . 1 1 4 4 THR HA H 4 4.710 4.710 4.508 0.202 19759
39 1 2 . 1 1 4 4 THR CA C 4 59.900 59.900 61.016 -1.116 19759
40 1 2 . 1 1 4 4 THR CB C 4 79.320 79.320 70.945 8.375 19759
41 1 2 . 1 1 4 4 THR H H 4 8.710 8.710 8.089 0.621 19759
42 1 2 . 1 1 5 5 THR N N 5 111.800 111.800 113.157 -1.357 19759
43 1 2 . 1 1 5 5 THR HA H 5 4.790 4.790 4.721 0.069 19759
44 1 2 . 1 1 5 5 THR CA C 5 59.280 59.280 61.571 -2.291 19759
45 1 2 . 1 1 5 5 THR CB C 5 80.090 80.090 70.638 9.451 19759
46 1 2 . 1 1 5 5 THR H H 5 8.910 8.910 8.094 0.816 19759
47 1 2 . 1 1 6 6 THR N N 6 110.600 110.600 114.456 -3.856 19759
48 1 2 . 1 1 6 6 THR HA H 6 4.750 4.750 4.586 0.164 19759
49 1 2 . 1 1 6 6 THR CA C 6 59.270 59.270 61.053 -1.783 19759
50 1 2 . 1 1 6 6 THR CB C 6 80.720 80.720 70.469 10.251 19759
51 1 2 . 1 1 6 6 THR H H 6 8.940 8.940 8.195 0.745 19759
52 1 2 . 1 1 7 7 THR N N 7 109.800 109.800 112.763 -2.963 19759
53 1 2 . 1 1 7 7 THR HA H 7 4.530 4.530 4.445 0.085 19759
54 1 2 . 1 1 7 7 THR CA C 7 59.220 59.220 61.500 -2.280 19759
55 1 2 . 1 1 7 7 THR CB C 7 79.400 79.400 70.053 9.347 19759
56 1 2 . 1 1 7 7 THR H H 7 8.880 8.880 8.205 0.675 19759
57 1 2 . 1 1 8 8 LYS N N 8 119.600 119.600 124.420 -4.820 19759
58 1 2 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.334 -0.094 19759
59 1 2 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.101 -0.761 19759
60 1 2 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.128 0.812 19759
61 1 2 . 1 1 8 8 LYS H H 8 8.460 8.460 8.429 0.031 19759
62 1 2 . 1 1 9 9 LYS N N 9 124.600 124.600 124.292 0.308 19759
63 1 2 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.431 -0.031 19759
64 1 2 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.355 -0.785 19759
65 1 2 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.461 1.119 19759
66 1 2 . 1 1 9 9 LYS H H 9 8.500 8.500 8.419 0.081 19759
67 1 3 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.327 0.323 19759
68 1 3 . 1 1 3 3 PRO CA C 3 62.770 62.770 64.085 -1.315 19759
69 1 3 . 1 1 3 3 PRO CB C 3 32.120 32.120 30.539 1.581 19759
70 1 3 . 1 1 4 4 THR N N 4 113.200 113.200 116.900 -3.700 19759
71 1 3 . 1 1 4 4 THR HA H 4 4.710 4.710 4.573 0.137 19759
72 1 3 . 1 1 4 4 THR CA C 4 59.900 59.900 60.232 -0.332 19759
73 1 3 . 1 1 4 4 THR CB C 4 79.320 79.320 70.930 8.389 19759
74 1 3 . 1 1 4 4 THR H H 4 8.710 8.710 7.895 0.815 19759
75 1 3 . 1 1 5 5 THR N N 5 111.800 111.800 115.151 -3.351 19759
76 1 3 . 1 1 5 5 THR HA H 5 4.790 4.790 4.675 0.115 19759
77 1 3 . 1 1 5 5 THR CA C 5 59.280 59.280 61.305 -2.025 19759
78 1 3 . 1 1 5 5 THR CB C 5 80.090 80.090 69.904 10.186 19759
79 1 3 . 1 1 5 5 THR H H 5 8.910 8.910 8.135 0.775 19759
80 1 3 . 1 1 6 6 THR N N 6 110.600 110.600 115.205 -4.605 19759
81 1 3 . 1 1 6 6 THR HA H 6 4.750 4.750 4.588 0.162 19759
82 1 3 . 1 1 6 6 THR CA C 6 59.270 59.270 61.388 -2.118 19759
83 1 3 . 1 1 6 6 THR CB C 6 80.720 80.720 70.146 10.574 19759
84 1 3 . 1 1 6 6 THR H H 6 8.940 8.940 8.288 0.652 19759
85 1 3 . 1 1 7 7 THR N N 7 109.800 109.800 115.339 -5.539 19759
86 1 3 . 1 1 7 7 THR HA H 7 4.530 4.530 4.608 -0.078 19759
87 1 3 . 1 1 7 7 THR CA C 7 59.220 59.220 61.202 -1.982 19759
88 1 3 . 1 1 7 7 THR CB C 7 79.400 79.400 69.814 9.586 19759
89 1 3 . 1 1 7 7 THR H H 7 8.880 8.880 8.337 0.543 19759
90 1 3 . 1 1 8 8 LYS N N 8 119.600 119.600 121.810 -2.210 19759
91 1 3 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.399 -0.159 19759
92 1 3 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.822 -1.482 19759
93 1 3 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.914 0.026 19759
94 1 3 . 1 1 8 8 LYS H H 8 8.460 8.460 8.197 0.263 19759
95 1 3 . 1 1 9 9 LYS N N 9 124.600 124.600 125.291 -0.691 19759
96 1 3 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.147 0.253 19759
97 1 3 . 1 1 9 9 LYS CA C 9 54.570 54.570 56.440 -1.870 19759
98 1 3 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.653 0.927 19759
99 1 3 . 1 1 9 9 LYS H H 9 8.500 8.500 8.719 -0.219 19759
100 1 4 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.463 0.187 19759
101 1 4 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.188 -0.418 19759
102 1 4 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.239 -0.119 19759
103 1 4 . 1 1 4 4 THR N N 4 113.200 113.200 111.945 1.255 19759
104 1 4 . 1 1 4 4 THR HA H 4 4.710 4.710 4.535 0.175 19759
105 1 4 . 1 1 4 4 THR CA C 4 59.900 59.900 61.394 -1.494 19759
106 1 4 . 1 1 4 4 THR CB C 4 79.320 79.320 70.612 8.708 19759
107 1 4 . 1 1 4 4 THR H H 4 8.710 8.710 8.097 0.613 19759
108 1 4 . 1 1 5 5 THR N N 5 111.800 111.800 116.884 -5.084 19759
109 1 4 . 1 1 5 5 THR HA H 5 4.790 4.790 4.765 0.025 19759
110 1 4 . 1 1 5 5 THR CA C 5 59.280 59.280 61.272 -1.992 19759
111 1 4 . 1 1 5 5 THR CB C 5 80.090 80.090 69.734 10.356 19759
112 1 4 . 1 1 5 5 THR H H 5 8.910 8.910 8.376 0.534 19759
113 1 4 . 1 1 6 6 THR N N 6 110.600 110.600 113.210 -2.610 19759
114 1 4 . 1 1 6 6 THR HA H 6 4.750 4.750 4.938 -0.188 19759
115 1 4 . 1 1 6 6 THR CA C 6 59.270 59.270 61.407 -2.137 19759
116 1 4 . 1 1 6 6 THR CB C 6 80.720 80.720 71.725 8.995 19759
117 1 4 . 1 1 6 6 THR H H 6 8.940 8.940 8.805 0.135 19759
118 1 4 . 1 1 7 7 THR N N 7 109.800 109.800 113.210 -3.410 19759
119 1 4 . 1 1 7 7 THR HA H 7 4.530 4.530 4.850 -0.320 19759
120 1 4 . 1 1 7 7 THR CA C 7 59.220 59.220 61.006 -1.786 19759
121 1 4 . 1 1 7 7 THR CB C 7 79.400 79.400 71.318 8.082 19759
122 1 4 . 1 1 7 7 THR H H 7 8.880 8.880 8.604 0.276 19759
123 1 4 . 1 1 8 8 LYS N N 8 119.600 119.600 122.199 -2.599 19759
124 1 4 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.511 -0.271 19759
125 1 4 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.429 -1.089 19759
126 1 4 . 1 1 8 8 LYS CB C 8 33.940 33.940 34.133 -0.193 19759
127 1 4 . 1 1 8 8 LYS H H 8 8.460 8.460 8.382 0.078 19759
128 1 4 . 1 1 9 9 LYS N N 9 124.600 124.600 124.072 0.528 19759
129 1 4 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.555 -0.155 19759
130 1 4 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.356 -0.786 19759
131 1 4 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.452 1.128 19759
132 1 4 . 1 1 9 9 LYS H H 9 8.500 8.500 8.421 0.079 19759
133 1 5 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.505 0.145 19759
134 1 5 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.972 -1.202 19759
135 1 5 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.283 0.837 19759
136 1 5 . 1 1 4 4 THR N N 4 113.200 113.200 116.618 -3.418 19759
137 1 5 . 1 1 4 4 THR HA H 4 4.710 4.710 4.490 0.220 19759
138 1 5 . 1 1 4 4 THR CA C 4 59.900 59.900 60.943 -1.043 19759
139 1 5 . 1 1 4 4 THR CB C 4 79.320 79.320 70.058 9.262 19759
140 1 5 . 1 1 4 4 THR H H 4 8.710 8.710 7.928 0.782 19759
141 1 5 . 1 1 5 5 THR N N 5 111.800 111.800 113.050 -1.250 19759
142 1 5 . 1 1 5 5 THR HA H 5 4.790 4.790 4.543 0.247 19759
143 1 5 . 1 1 5 5 THR CA C 5 59.280 59.280 61.292 -2.012 19759
144 1 5 . 1 1 5 5 THR CB C 5 80.090 80.090 70.909 9.181 19759
145 1 5 . 1 1 5 5 THR H H 5 8.910 8.910 8.166 0.744 19759
146 1 5 . 1 1 6 6 THR N N 6 110.600 110.600 116.778 -6.178 19759
147 1 5 . 1 1 6 6 THR HA H 6 4.750 4.750 4.568 0.182 19759
148 1 5 . 1 1 6 6 THR CA C 6 59.270 59.270 61.345 -2.075 19759
149 1 5 . 1 1 6 6 THR CB C 6 80.720 80.720 69.770 10.950 19759
150 1 5 . 1 1 6 6 THR H H 6 8.940 8.940 8.303 0.637 19759
151 1 5 . 1 1 7 7 THR N N 7 109.800 109.800 115.955 -6.155 19759
152 1 5 . 1 1 7 7 THR HA H 7 4.530 4.530 4.405 0.125 19759
153 1 5 . 1 1 7 7 THR CA C 7 59.220 59.220 61.822 -2.602 19759
154 1 5 . 1 1 7 7 THR CB C 7 79.400 79.400 69.343 10.057 19759
155 1 5 . 1 1 7 7 THR H H 7 8.880 8.880 8.389 0.491 19759
156 1 5 . 1 1 8 8 LYS N N 8 119.600 119.600 126.122 -6.522 19759
157 1 5 . 1 1 8 8 LYS HA H 8 4.240 4.240 3.923 0.317 19759
158 1 5 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.930 -1.590 19759
159 1 5 . 1 1 8 8 LYS CB C 8 33.940 33.940 31.294 2.646 19759
160 1 5 . 1 1 8 8 LYS H H 8 8.460 8.460 8.632 -0.172 19759
161 1 5 . 1 1 9 9 LYS N N 9 124.600 124.600 123.055 1.545 19759
162 1 5 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.400 0.000 19759
163 1 5 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.032 -0.462 19759
164 1 5 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.777 0.803 19759
165 1 5 . 1 1 9 9 LYS H H 9 8.500 8.500 8.073 0.427 19759
166 1 6 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.461 0.189 19759
167 1 6 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.368 -0.598 19759
168 1 6 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.190 -0.070 19759
169 1 6 . 1 1 4 4 THR N N 4 113.200 113.200 115.034 -1.834 19759
170 1 6 . 1 1 4 4 THR HA H 4 4.710 4.710 4.442 0.268 19759
171 1 6 . 1 1 4 4 THR CA C 4 59.900 59.900 61.123 -1.223 19759
172 1 6 . 1 1 4 4 THR CB C 4 79.320 79.320 70.193 9.127 19759
173 1 6 . 1 1 4 4 THR H H 4 8.710 8.710 8.155 0.555 19759
174 1 6 . 1 1 5 5 THR N N 5 111.800 111.800 112.308 -0.508 19759
175 1 6 . 1 1 5 5 THR HA H 5 4.790 4.790 4.661 0.129 19759
176 1 6 . 1 1 5 5 THR CA C 5 59.280 59.280 61.286 -2.006 19759
177 1 6 . 1 1 5 5 THR CB C 5 80.090 80.090 70.913 9.177 19759
178 1 6 . 1 1 5 5 THR H H 5 8.910 8.910 8.091 0.819 19759
179 1 6 . 1 1 6 6 THR N N 6 110.600 110.600 116.392 -5.792 19759
180 1 6 . 1 1 6 6 THR HA H 6 4.750 4.750 4.654 0.096 19759
181 1 6 . 1 1 6 6 THR CA C 6 59.270 59.270 61.447 -2.178 19759
182 1 6 . 1 1 6 6 THR CB C 6 80.720 80.720 70.199 10.521 19759
183 1 6 . 1 1 6 6 THR H H 6 8.940 8.940 8.198 0.742 19759
184 1 6 . 1 1 7 7 THR N N 7 109.800 109.800 116.621 -6.821 19759
185 1 6 . 1 1 7 7 THR HA H 7 4.530 4.530 4.431 0.099 19759
186 1 6 . 1 1 7 7 THR CA C 7 59.220 59.220 60.742 -1.522 19759
187 1 6 . 1 1 7 7 THR CB C 7 79.400 79.400 70.028 9.371 19759
188 1 6 . 1 1 7 7 THR H H 7 8.880 8.880 8.307 0.573 19759
189 1 6 . 1 1 8 8 LYS N N 8 119.600 119.600 122.696 -3.096 19759
190 1 6 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.266 -0.026 19759
191 1 6 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.248 -0.908 19759
192 1 6 . 1 1 8 8 LYS CB C 8 33.940 33.940 31.172 2.768 19759
193 1 6 . 1 1 8 8 LYS H H 8 8.460 8.460 8.525 -0.065 19759
194 1 6 . 1 1 9 9 LYS N N 9 124.600 124.600 124.275 0.325 19759
195 1 6 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.415 -0.015 19759
196 1 6 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.893 -0.323 19759
197 1 6 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.343 1.237 19759
198 1 6 . 1 1 9 9 LYS H H 9 8.500 8.500 7.883 0.617 19759
199 1 7 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.417 0.233 19759
200 1 7 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.065 -0.295 19759
201 1 7 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.248 -0.128 19759
202 1 7 . 1 1 4 4 THR N N 4 113.200 113.200 114.724 -1.524 19759
203 1 7 . 1 1 4 4 THR HA H 4 4.710 4.710 4.456 0.254 19759
204 1 7 . 1 1 4 4 THR CA C 4 59.900 59.900 61.684 -1.784 19759
205 1 7 . 1 1 4 4 THR CB C 4 79.320 79.320 69.834 9.486 19759
206 1 7 . 1 1 4 4 THR H H 4 8.710 8.710 8.128 0.582 19759
207 1 7 . 1 1 5 5 THR N N 5 111.800 111.800 117.352 -5.552 19759
208 1 7 . 1 1 5 5 THR HA H 5 4.790 4.790 4.601 0.189 19759
209 1 7 . 1 1 5 5 THR CA C 5 59.280 59.280 61.144 -1.864 19759
210 1 7 . 1 1 5 5 THR CB C 5 80.090 80.090 70.350 9.740 19759
211 1 7 . 1 1 5 5 THR H H 5 8.910 8.910 8.355 0.555 19759
212 1 7 . 1 1 6 6 THR N N 6 110.600 110.600 115.095 -4.495 19759
213 1 7 . 1 1 6 6 THR HA H 6 4.750 4.750 4.590 0.160 19759
214 1 7 . 1 1 6 6 THR CA C 6 59.270 59.270 61.129 -1.859 19759
215 1 7 . 1 1 6 6 THR CB C 6 80.720 80.720 70.124 10.596 19759
216 1 7 . 1 1 6 6 THR H H 6 8.940 8.940 8.194 0.746 19759
217 1 7 . 1 1 7 7 THR N N 7 109.800 109.800 114.194 -4.394 19759
218 1 7 . 1 1 7 7 THR HA H 7 4.530 4.530 4.455 0.075 19759
219 1 7 . 1 1 7 7 THR CA C 7 59.220 59.220 61.451 -2.231 19759
220 1 7 . 1 1 7 7 THR CB C 7 79.400 79.400 69.898 9.502 19759
221 1 7 . 1 1 7 7 THR H H 7 8.880 8.880 8.343 0.537 19759
222 1 7 . 1 1 8 8 LYS N N 8 119.600 119.600 125.624 -6.024 19759
223 1 7 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.338 -0.098 19759
224 1 7 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.677 -1.337 19759
225 1 7 . 1 1 8 8 LYS CB C 8 33.940 33.940 32.835 1.105 19759
226 1 7 . 1 1 8 8 LYS H H 8 8.460 8.460 8.675 -0.215 19759
227 1 7 . 1 1 9 9 LYS N N 9 124.600 124.600 124.910 -0.310 19759
228 1 7 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.522 -0.122 19759
229 1 7 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.880 -1.310 19759
230 1 7 . 1 1 9 9 LYS CB C 9 32.580 32.580 32.787 -0.207 19759
231 1 7 . 1 1 9 9 LYS H H 9 8.500 8.500 8.690 -0.190 19759
232 1 8 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.653 -0.003 19759
233 1 8 . 1 1 3 3 PRO CA C 3 62.770 62.770 64.331 -1.561 19759
234 1 8 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.049 0.071 19759
235 1 8 . 1 1 4 4 THR N N 4 113.200 113.200 113.066 0.134 19759
236 1 8 . 1 1 4 4 THR HA H 4 4.710 4.710 4.524 0.186 19759
237 1 8 . 1 1 4 4 THR CA C 4 59.900 59.900 61.059 -1.159 19759
238 1 8 . 1 1 4 4 THR CB C 4 79.320 79.320 71.153 8.167 19759
239 1 8 . 1 1 4 4 THR H H 4 8.710 8.710 8.082 0.628 19759
240 1 8 . 1 1 5 5 THR N N 5 111.800 111.800 113.073 -1.273 19759
241 1 8 . 1 1 5 5 THR HA H 5 4.790 4.790 4.693 0.097 19759
242 1 8 . 1 1 5 5 THR CA C 5 59.280 59.280 61.637 -2.357 19759
243 1 8 . 1 1 5 5 THR CB C 5 80.090 80.090 70.451 9.639 19759
244 1 8 . 1 1 5 5 THR H H 5 8.910 8.910 8.105 0.805 19759
245 1 8 . 1 1 6 6 THR N N 6 110.600 110.600 116.851 -6.251 19759
246 1 8 . 1 1 6 6 THR HA H 6 4.750 4.750 4.573 0.177 19759
247 1 8 . 1 1 6 6 THR CA C 6 59.270 59.270 61.258 -1.988 19759
248 1 8 . 1 1 6 6 THR CB C 6 80.720 80.720 70.048 10.672 19759
249 1 8 . 1 1 6 6 THR H H 6 8.940 8.940 8.232 0.708 19759
250 1 8 . 1 1 7 7 THR N N 7 109.800 109.800 116.447 -6.647 19759
251 1 8 . 1 1 7 7 THR HA H 7 4.530 4.530 4.438 0.092 19759
252 1 8 . 1 1 7 7 THR CA C 7 59.220 59.220 61.631 -2.411 19759
253 1 8 . 1 1 7 7 THR CB C 7 79.400 79.400 69.915 9.485 19759
254 1 8 . 1 1 7 7 THR H H 7 8.880 8.880 8.339 0.541 19759
255 1 8 . 1 1 8 8 LYS N N 8 119.600 119.600 124.400 -4.800 19759
256 1 8 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.351 -0.111 19759
257 1 8 . 1 1 8 8 LYS CA C 8 55.340 55.340 55.882 -0.542 19759
258 1 8 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.383 0.557 19759
259 1 8 . 1 1 8 8 LYS H H 8 8.460 8.460 8.472 -0.012 19759
260 1 8 . 1 1 9 9 LYS N N 9 124.600 124.600 121.495 3.105 19759
261 1 8 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.348 0.052 19759
262 1 8 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.392 -0.822 19759
263 1 8 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.357 1.223 19759
264 1 8 . 1 1 9 9 LYS H H 9 8.500 8.500 8.380 0.120 19759
265 1 9 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.403 0.247 19759
266 1 9 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.549 -0.779 19759
267 1 9 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.111 0.009 19759
268 1 9 . 1 1 4 4 THR N N 4 113.200 113.200 112.951 0.249 19759
269 1 9 . 1 1 4 4 THR HA H 4 4.710 4.710 4.522 0.188 19759
270 1 9 . 1 1 4 4 THR CA C 4 59.900 59.900 61.333 -1.433 19759
271 1 9 . 1 1 4 4 THR CB C 4 79.320 79.320 71.043 8.277 19759
272 1 9 . 1 1 4 4 THR H H 4 8.710 8.710 8.057 0.653 19759
273 1 9 . 1 1 5 5 THR N N 5 111.800 111.800 116.687 -4.887 19759
274 1 9 . 1 1 5 5 THR HA H 5 4.790 4.790 4.636 0.154 19759
275 1 9 . 1 1 5 5 THR CA C 5 59.280 59.280 61.354 -2.074 19759
276 1 9 . 1 1 5 5 THR CB C 5 80.090 80.090 70.168 9.922 19759
277 1 9 . 1 1 5 5 THR H H 5 8.910 8.910 8.280 0.630 19759
278 1 9 . 1 1 6 6 THR N N 6 110.600 110.600 115.022 -4.422 19759
279 1 9 . 1 1 6 6 THR HA H 6 4.750 4.750 4.584 0.166 19759
280 1 9 . 1 1 6 6 THR CA C 6 59.270 59.270 61.115 -1.845 19759
281 1 9 . 1 1 6 6 THR CB C 6 80.720 80.720 70.238 10.482 19759
282 1 9 . 1 1 6 6 THR H H 6 8.940 8.940 8.195 0.745 19759
283 1 9 . 1 1 7 7 THR N N 7 109.800 109.800 113.700 -3.900 19759
284 1 9 . 1 1 7 7 THR HA H 7 4.530 4.530 4.441 0.089 19759
285 1 9 . 1 1 7 7 THR CA C 7 59.220 59.220 61.560 -2.340 19759
286 1 9 . 1 1 7 7 THR CB C 7 79.400 79.400 69.883 9.517 19759
287 1 9 . 1 1 7 7 THR H H 7 8.880 8.880 8.266 0.614 19759
288 1 9 . 1 1 8 8 LYS N N 8 119.600 119.600 125.123 -5.523 19759
289 1 9 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.318 -0.078 19759
290 1 9 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.125 -0.785 19759
291 1 9 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.327 0.613 19759
292 1 9 . 1 1 8 8 LYS H H 8 8.460 8.460 8.456 0.004 19759
293 1 9 . 1 1 9 9 LYS N N 9 124.600 124.600 124.870 -0.270 19759
294 1 9 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.403 -0.003 19759
295 1 9 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.333 -0.763 19759
296 1 9 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.842 0.738 19759
297 1 9 . 1 1 9 9 LYS H H 9 8.500 8.500 8.401 0.099 19759
298 1 10 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.671 -0.021 19759
299 1 10 . 1 1 3 3 PRO CA C 3 62.770 62.770 64.270 -1.500 19759
300 1 10 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.056 0.064 19759
301 1 10 . 1 1 4 4 THR N N 4 113.200 113.200 113.102 0.098 19759
302 1 10 . 1 1 4 4 THR HA H 4 4.710 4.710 4.486 0.224 19759
303 1 10 . 1 1 4 4 THR CA C 4 59.900 59.900 61.127 -1.227 19759
304 1 10 . 1 1 4 4 THR CB C 4 79.320 79.320 71.019 8.301 19759
305 1 10 . 1 1 4 4 THR H H 4 8.710 8.710 8.060 0.650 19759
306 1 10 . 1 1 5 5 THR N N 5 111.800 111.800 113.857 -2.057 19759
307 1 10 . 1 1 5 5 THR HA H 5 4.790 4.790 4.679 0.111 19759
308 1 10 . 1 1 5 5 THR CA C 5 59.280 59.280 62.000 -2.720 19759
309 1 10 . 1 1 5 5 THR CB C 5 80.090 80.090 70.664 9.426 19759
310 1 10 . 1 1 5 5 THR H H 5 8.910 8.910 8.228 0.682 19759
311 1 10 . 1 1 6 6 THR N N 6 110.600 110.600 116.269 -5.669 19759
312 1 10 . 1 1 6 6 THR HA H 6 4.750 4.750 4.718 0.032 19759
313 1 10 . 1 1 6 6 THR CA C 6 59.270 59.270 61.285 -2.015 19759
314 1 10 . 1 1 6 6 THR CB C 6 80.720 80.720 69.793 10.927 19759
315 1 10 . 1 1 6 6 THR H H 6 8.940 8.940 8.283 0.657 19759
316 1 10 . 1 1 7 7 THR N N 7 109.800 109.800 112.635 -2.835 19759
317 1 10 . 1 1 7 7 THR HA H 7 4.530 4.530 4.534 -0.004 19759
318 1 10 . 1 1 7 7 THR CA C 7 59.220 59.220 60.891 -1.671 19759
319 1 10 . 1 1 7 7 THR CB C 7 79.400 79.400 71.263 8.137 19759
320 1 10 . 1 1 7 7 THR H H 7 8.880 8.880 7.944 0.936 19759
321 1 10 . 1 1 8 8 LYS N N 8 119.600 119.600 122.806 -3.206 19759
322 1 10 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.329 -0.089 19759
323 1 10 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.741 -1.401 19759
324 1 10 . 1 1 8 8 LYS CB C 8 33.940 33.940 32.593 1.347 19759
325 1 10 . 1 1 8 8 LYS H H 8 8.460 8.460 8.599 -0.139 19759
326 1 10 . 1 1 9 9 LYS N N 9 124.600 124.600 123.341 1.259 19759
327 1 10 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.456 -0.056 19759
328 1 10 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.964 -1.393 19759
329 1 10 . 1 1 9 9 LYS CB C 9 32.580 32.580 33.146 -0.566 19759
330 1 10 . 1 1 9 9 LYS H H 9 8.500 8.500 8.507 -0.007 19759
331 1 11 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.356 0.294 19759
332 1 11 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.632 -0.862 19759
333 1 11 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.071 1.049 19759
334 1 11 . 1 1 4 4 THR N N 4 113.200 113.200 117.437 -4.237 19759
335 1 11 . 1 1 4 4 THR HA H 4 4.710 4.710 4.579 0.131 19759
336 1 11 . 1 1 4 4 THR CA C 4 59.900 59.900 60.437 -0.537 19759
337 1 11 . 1 1 4 4 THR CB C 4 79.320 79.320 70.811 8.509 19759
338 1 11 . 1 1 4 4 THR H H 4 8.710 8.710 7.936 0.774 19759
339 1 11 . 1 1 5 5 THR N N 5 111.800 111.800 114.339 -2.539 19759
340 1 11 . 1 1 5 5 THR HA H 5 4.790 4.790 4.646 0.144 19759
341 1 11 . 1 1 5 5 THR CA C 5 59.280 59.280 61.589 -2.309 19759
342 1 11 . 1 1 5 5 THR CB C 5 80.090 80.090 70.665 9.425 19759
343 1 11 . 1 1 5 5 THR H H 5 8.910 8.910 8.160 0.750 19759
344 1 11 . 1 1 6 6 THR N N 6 110.600 110.600 116.716 -6.116 19759
345 1 11 . 1 1 6 6 THR HA H 6 4.750 4.750 4.570 0.180 19759
346 1 11 . 1 1 6 6 THR CA C 6 59.270 59.270 61.359 -2.089 19759
347 1 11 . 1 1 6 6 THR CB C 6 80.720 80.720 70.258 10.462 19759
348 1 11 . 1 1 6 6 THR H H 6 8.940 8.940 8.302 0.638 19759
349 1 11 . 1 1 7 7 THR N N 7 109.800 109.800 112.360 -2.560 19759
350 1 11 . 1 1 7 7 THR HA H 7 4.530 4.530 4.444 0.086 19759
351 1 11 . 1 1 7 7 THR CA C 7 59.220 59.220 61.789 -2.569 19759
352 1 11 . 1 1 7 7 THR CB C 7 79.400 79.400 70.903 8.497 19759
353 1 11 . 1 1 7 7 THR H H 7 8.880 8.880 8.064 0.816 19759
354 1 11 . 1 1 8 8 LYS N N 8 119.600 119.600 122.309 -2.709 19759
355 1 11 . 1 1 8 8 LYS HA H 8 4.240 4.240 3.857 0.383 19759
356 1 11 . 1 1 8 8 LYS CA C 8 55.340 55.340 57.357 -2.017 19759
357 1 11 . 1 1 8 8 LYS CB C 8 33.940 33.940 32.494 1.446 19759
358 1 11 . 1 1 8 8 LYS H H 8 8.460 8.460 8.396 0.064 19759
359 1 11 . 1 1 9 9 LYS N N 9 124.600 124.600 120.832 3.768 19759
360 1 11 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.113 0.287 19759
361 1 11 . 1 1 9 9 LYS CA C 9 54.570 54.570 56.366 -1.796 19759
362 1 11 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.481 1.099 19759
363 1 11 . 1 1 9 9 LYS H H 9 8.500 8.500 8.200 0.300 19759
364 1 12 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.328 0.322 19759
365 1 12 . 1 1 3 3 PRO CA C 3 62.770 62.770 64.088 -1.318 19759
366 1 12 . 1 1 3 3 PRO CB C 3 32.120 32.120 30.529 1.591 19759
367 1 12 . 1 1 4 4 THR N N 4 113.200 113.200 117.197 -3.997 19759
368 1 12 . 1 1 4 4 THR HA H 4 4.710 4.710 4.582 0.128 19759
369 1 12 . 1 1 4 4 THR CA C 4 59.900 59.900 60.465 -0.565 19759
370 1 12 . 1 1 4 4 THR CB C 4 79.320 79.320 71.032 8.288 19759
371 1 12 . 1 1 4 4 THR H H 4 8.710 8.710 7.925 0.785 19759
372 1 12 . 1 1 5 5 THR N N 5 111.800 111.800 115.368 -3.568 19759
373 1 12 . 1 1 5 5 THR HA H 5 4.790 4.790 4.615 0.175 19759
374 1 12 . 1 1 5 5 THR CA C 5 59.280 59.280 61.391 -2.111 19759
375 1 12 . 1 1 5 5 THR CB C 5 80.090 80.090 69.851 10.239 19759
376 1 12 . 1 1 5 5 THR H H 5 8.910 8.910 8.171 0.739 19759
377 1 12 . 1 1 6 6 THR N N 6 110.600 110.600 116.915 -6.315 19759
378 1 12 . 1 1 6 6 THR HA H 6 4.750 4.750 4.566 0.184 19759
379 1 12 . 1 1 6 6 THR CA C 6 59.270 59.270 61.202 -1.932 19759
380 1 12 . 1 1 6 6 THR CB C 6 80.720 80.720 69.915 10.805 19759
381 1 12 . 1 1 6 6 THR H H 6 8.940 8.940 8.344 0.596 19759
382 1 12 . 1 1 7 7 THR N N 7 109.800 109.800 115.762 -5.962 19759
383 1 12 . 1 1 7 7 THR HA H 7 4.530 4.530 4.451 0.079 19759
384 1 12 . 1 1 7 7 THR CA C 7 59.220 59.220 61.738 -2.518 19759
385 1 12 . 1 1 7 7 THR CB C 7 79.400 79.400 69.755 9.645 19759
386 1 12 . 1 1 7 7 THR H H 7 8.880 8.880 8.382 0.498 19759
387 1 12 . 1 1 8 8 LYS N N 8 119.600 119.600 122.248 -2.648 19759
388 1 12 . 1 1 8 8 LYS HA H 8 4.240 4.240 3.995 0.245 19759
389 1 12 . 1 1 8 8 LYS CA C 8 55.340 55.340 57.351 -2.011 19759
390 1 12 . 1 1 8 8 LYS CB C 8 33.940 33.940 32.953 0.987 19759
391 1 12 . 1 1 8 8 LYS H H 8 8.460 8.460 8.506 -0.046 19759
392 1 12 . 1 1 9 9 LYS N N 9 124.600 124.600 119.779 4.821 19759
393 1 12 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.533 -0.133 19759
394 1 12 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.829 -1.259 19759
395 1 12 . 1 1 9 9 LYS CB C 9 32.580 32.580 32.247 0.333 19759
396 1 12 . 1 1 9 9 LYS H H 9 8.500 8.500 8.398 0.102 19759
397 1 13 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.390 0.260 19759
398 1 13 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.713 -0.943 19759
399 1 13 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.258 0.862 19759
400 1 13 . 1 1 4 4 THR N N 4 113.200 113.200 117.925 -4.725 19759
401 1 13 . 1 1 4 4 THR HA H 4 4.710 4.710 4.529 0.181 19759
402 1 13 . 1 1 4 4 THR CA C 4 59.900 59.900 60.593 -0.693 19759
403 1 13 . 1 1 4 4 THR CB C 4 79.320 79.320 71.174 8.146 19759
404 1 13 . 1 1 4 4 THR H H 4 8.710 8.710 7.935 0.775 19759
405 1 13 . 1 1 5 5 THR N N 5 111.800 111.800 115.129 -3.329 19759
406 1 13 . 1 1 5 5 THR HA H 5 4.790 4.790 4.606 0.184 19759
407 1 13 . 1 1 5 5 THR CA C 5 59.280 59.280 61.354 -2.074 19759
408 1 13 . 1 1 5 5 THR CB C 5 80.090 80.090 69.837 10.253 19759
409 1 13 . 1 1 5 5 THR H H 5 8.910 8.910 8.231 0.679 19759
410 1 13 . 1 1 6 6 THR N N 6 110.600 110.600 116.626 -6.026 19759
411 1 13 . 1 1 6 6 THR HA H 6 4.750 4.750 4.591 0.159 19759
412 1 13 . 1 1 6 6 THR CA C 6 59.270 59.270 61.475 -2.205 19759
413 1 13 . 1 1 6 6 THR CB C 6 80.720 80.720 69.916 10.804 19759
414 1 13 . 1 1 6 6 THR H H 6 8.940 8.940 8.264 0.676 19759
415 1 13 . 1 1 7 7 THR N N 7 109.800 109.800 115.929 -6.129 19759
416 1 13 . 1 1 7 7 THR HA H 7 4.530 4.530 4.428 0.102 19759
417 1 13 . 1 1 7 7 THR CA C 7 59.220 59.220 61.443 -2.223 19759
418 1 13 . 1 1 7 7 THR CB C 7 79.400 79.400 70.245 9.155 19759
419 1 13 . 1 1 7 7 THR H H 7 8.880 8.880 8.300 0.580 19759
420 1 13 . 1 1 8 8 LYS N N 8 119.600 119.600 122.339 -2.739 19759
421 1 13 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.339 -0.099 19759
422 1 13 . 1 1 8 8 LYS CA C 8 55.340 55.340 55.831 -0.491 19759
423 1 13 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.237 0.703 19759
424 1 13 . 1 1 8 8 LYS H H 8 8.460 8.460 8.479 -0.019 19759
425 1 13 . 1 1 9 9 LYS N N 9 124.600 124.600 126.167 -1.567 19759
426 1 13 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.433 -0.033 19759
427 1 13 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.317 -0.747 19759
428 1 13 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.811 0.769 19759
429 1 13 . 1 1 9 9 LYS H H 9 8.500 8.500 8.333 0.167 19759
430 1 14 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.446 0.204 19759
431 1 14 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.132 -0.362 19759
432 1 14 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.122 -0.002 19759
433 1 14 . 1 1 4 4 THR N N 4 113.200 113.200 113.252 -0.052 19759
434 1 14 . 1 1 4 4 THR HA H 4 4.710 4.710 4.496 0.214 19759
435 1 14 . 1 1 4 4 THR CA C 4 59.900 59.900 61.407 -1.507 19759
436 1 14 . 1 1 4 4 THR CB C 4 79.320 79.320 71.107 8.213 19759
437 1 14 . 1 1 4 4 THR H H 4 8.710 8.710 8.093 0.617 19759
438 1 14 . 1 1 5 5 THR N N 5 111.800 111.800 115.551 -3.751 19759
439 1 14 . 1 1 5 5 THR HA H 5 4.790 4.790 4.636 0.154 19759
440 1 14 . 1 1 5 5 THR CA C 5 59.280 59.280 61.508 -2.228 19759
441 1 14 . 1 1 5 5 THR CB C 5 80.090 80.090 69.906 10.184 19759
442 1 14 . 1 1 5 5 THR H H 5 8.910 8.910 8.232 0.678 19759
443 1 14 . 1 1 6 6 THR N N 6 110.600 110.600 115.232 -4.632 19759
444 1 14 . 1 1 6 6 THR HA H 6 4.750 4.750 4.614 0.136 19759
445 1 14 . 1 1 6 6 THR CA C 6 59.270 59.270 61.460 -2.190 19759
446 1 14 . 1 1 6 6 THR CB C 6 80.720 80.720 70.100 10.620 19759
447 1 14 . 1 1 6 6 THR H H 6 8.940 8.940 8.254 0.686 19759
448 1 14 . 1 1 7 7 THR N N 7 109.800 109.800 112.901 -3.101 19759
449 1 14 . 1 1 7 7 THR HA H 7 4.530 4.530 4.431 0.099 19759
450 1 14 . 1 1 7 7 THR CA C 7 59.220 59.220 61.805 -2.585 19759
451 1 14 . 1 1 7 7 THR CB C 7 79.400 79.400 70.287 9.113 19759
452 1 14 . 1 1 7 7 THR H H 7 8.880 8.880 8.192 0.688 19759
453 1 14 . 1 1 8 8 LYS N N 8 119.600 119.600 122.302 -2.702 19759
454 1 14 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.000 0.240 19759
455 1 14 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.608 -1.268 19759
456 1 14 . 1 1 8 8 LYS CB C 8 33.940 33.940 33.074 0.866 19759
457 1 14 . 1 1 8 8 LYS H H 8 8.460 8.460 8.458 0.002 19759
458 1 14 . 1 1 9 9 LYS N N 9 124.600 124.600 121.779 2.821 19759
459 1 14 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.408 -0.008 19759
460 1 14 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.702 -1.132 19759
461 1 14 . 1 1 9 9 LYS CB C 9 32.580 32.580 32.279 0.301 19759
462 1 14 . 1 1 9 9 LYS H H 9 8.500 8.500 8.173 0.327 19759
463 1 15 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.621 0.029 19759
464 1 15 . 1 1 3 3 PRO CA C 3 62.770 62.770 62.795 -0.025 19759
465 1 15 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.122 -0.002 19759
466 1 15 . 1 1 4 4 THR N N 4 113.200 113.200 114.935 -1.735 19759
467 1 15 . 1 1 4 4 THR HA H 4 4.710 4.710 4.496 0.214 19759
468 1 15 . 1 1 4 4 THR CA C 4 59.900 59.900 61.582 -1.682 19759
469 1 15 . 1 1 4 4 THR CB C 4 79.320 79.320 69.928 9.392 19759
470 1 15 . 1 1 4 4 THR H H 4 8.710 8.710 8.265 0.445 19759
471 1 15 . 1 1 5 5 THR N N 5 111.800 111.800 116.418 -4.618 19759
472 1 15 . 1 1 5 5 THR HA H 5 4.790 4.790 4.587 0.203 19759
473 1 15 . 1 1 5 5 THR CA C 5 59.280 59.280 61.466 -2.186 19759
474 1 15 . 1 1 5 5 THR CB C 5 80.090 80.090 70.212 9.878 19759
475 1 15 . 1 1 5 5 THR H H 5 8.910 8.910 8.265 0.645 19759
476 1 15 . 1 1 6 6 THR N N 6 110.600 110.600 116.976 -6.376 19759
477 1 15 . 1 1 6 6 THR HA H 6 4.750 4.750 4.708 0.042 19759
478 1 15 . 1 1 6 6 THR CA C 6 59.270 59.270 61.159 -1.889 19759
479 1 15 . 1 1 6 6 THR CB C 6 80.720 80.720 69.814 10.906 19759
480 1 15 . 1 1 6 6 THR H H 6 8.940 8.940 8.568 0.372 19759
481 1 15 . 1 1 7 7 THR N N 7 109.800 109.800 112.974 -3.174 19759
482 1 15 . 1 1 7 7 THR HA H 7 4.530 4.530 4.912 -0.382 19759
483 1 15 . 1 1 7 7 THR CA C 7 59.220 59.220 61.319 -2.099 19759
484 1 15 . 1 1 7 7 THR CB C 7 79.400 79.400 72.039 7.361 19759
485 1 15 . 1 1 7 7 THR H H 7 8.880 8.880 8.692 0.188 19759
486 1 15 . 1 1 8 8 LYS N N 8 119.600 119.600 120.792 -1.192 19759
487 1 15 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.423 -0.183 19759
488 1 15 . 1 1 8 8 LYS CA C 8 55.340 55.340 55.886 -0.546 19759
489 1 15 . 1 1 8 8 LYS CB C 8 33.940 33.940 34.159 -0.219 19759
490 1 15 . 1 1 8 8 LYS H H 8 8.460 8.460 8.200 0.260 19759
491 1 15 . 1 1 9 9 LYS N N 9 124.600 124.600 122.915 1.685 19759
492 1 15 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.129 0.271 19759
493 1 15 . 1 1 9 9 LYS CA C 9 54.570 54.570 56.074 -1.504 19759
494 1 15 . 1 1 9 9 LYS CB C 9 32.580 32.580 32.113 0.467 19759
495 1 15 . 1 1 9 9 LYS H H 9 8.500 8.500 8.739 -0.239 19759
496 1 16 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.416 0.234 19759
497 1 16 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.092 -0.322 19759
498 1 16 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.250 -0.130 19759
499 1 16 . 1 1 4 4 THR N N 4 113.200 113.200 114.429 -1.229 19759
500 1 16 . 1 1 4 4 THR HA H 4 4.710 4.710 4.490 0.220 19759
501 1 16 . 1 1 4 4 THR CA C 4 59.900 59.900 61.712 -1.812 19759
502 1 16 . 1 1 4 4 THR CB C 4 79.320 79.320 69.861 9.459 19759
503 1 16 . 1 1 4 4 THR H H 4 8.710 8.710 8.099 0.611 19759
504 1 16 . 1 1 5 5 THR N N 5 111.800 111.800 116.641 -4.841 19759
505 1 16 . 1 1 5 5 THR HA H 5 4.790 4.790 4.640 0.150 19759
506 1 16 . 1 1 5 5 THR CA C 5 59.280 59.280 61.157 -1.877 19759
507 1 16 . 1 1 5 5 THR CB C 5 80.090 80.090 70.398 9.692 19759
508 1 16 . 1 1 5 5 THR H H 5 8.910 8.910 8.228 0.682 19759
509 1 16 . 1 1 6 6 THR N N 6 110.600 110.600 115.338 -4.738 19759
510 1 16 . 1 1 6 6 THR HA H 6 4.750 4.750 4.609 0.141 19759
511 1 16 . 1 1 6 6 THR CA C 6 59.270 59.270 61.124 -1.854 19759
512 1 16 . 1 1 6 6 THR CB C 6 80.720 80.720 70.405 10.315 19759
513 1 16 . 1 1 6 6 THR H H 6 8.940 8.940 8.225 0.715 19759
514 1 16 . 1 1 7 7 THR N N 7 109.800 109.800 114.610 -4.810 19759
515 1 16 . 1 1 7 7 THR HA H 7 4.530 4.530 4.437 0.093 19759
516 1 16 . 1 1 7 7 THR CA C 7 59.220 59.220 61.420 -2.200 19759
517 1 16 . 1 1 7 7 THR CB C 7 79.400 79.400 70.007 9.393 19759
518 1 16 . 1 1 7 7 THR H H 7 8.880 8.880 8.359 0.521 19759
519 1 16 . 1 1 8 8 LYS N N 8 119.600 119.600 126.993 -7.393 19759
520 1 16 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.243 -0.003 19759
521 1 16 . 1 1 8 8 LYS CA C 8 55.340 55.340 54.679 0.661 19759
522 1 16 . 1 1 8 8 LYS CB C 8 33.940 33.940 31.571 2.369 19759
523 1 16 . 1 1 8 8 LYS H H 8 8.460 8.460 8.870 -0.410 19759
524 1 16 . 1 1 9 9 LYS N N 9 124.600 124.600 121.871 2.729 19759
525 1 16 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.028 0.372 19759
526 1 16 . 1 1 9 9 LYS CA C 9 54.570 54.570 56.218 -1.648 19759
527 1 16 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.118 1.462 19759
528 1 16 . 1 1 9 9 LYS H H 9 8.500 8.500 7.912 0.588 19759
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 6 3.338 3.196 1.055 19759
2 1 1 "Average Difference" HA 7 0.154 -0.119 0.106 19759
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19759
4 1 1 "Average Difference" CA 7 1.528 1.391 0.683 19759
5 1 1 "Average Difference" CB 7 7.243 -5.687 4.845 19759
6 1 1 "Average Difference" HN 6 0.572 -0.476 0.347 19759
7 1 2 "Average Difference" N 6 2.870 1.984 2.272 19759
8 1 2 "Average Difference" HA 7 0.114 -0.051 0.110 19759
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19759
10 1 2 "Average Difference" CA 7 1.599 1.482 0.650 19759
11 1 2 "Average Difference" CB 7 7.110 -5.638 4.679 19759
12 1 2 "Average Difference" HN 6 0.587 -0.495 0.346 19759
13 1 3 "Average Difference" N 6 3.701 3.349 1.724 19759
14 1 3 "Average Difference" HA 7 0.192 -0.108 0.172 19759
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19759
16 1 3 "Average Difference" CA 7 1.692 1.589 0.629 19759
17 1 3 "Average Difference" CB 7 7.380 -5.896 4.794 19759
18 1 3 "Average Difference" HN 6 0.592 -0.471 0.392 19759
19 1 4 "Average Difference" N 6 2.969 1.987 2.417 19759
20 1 4 "Average Difference" HA 7 0.208 0.078 0.208 19759
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19759
22 1 4 "Average Difference" CA 7 1.509 1.386 0.644 19759
23 1 4 "Average Difference" CB 7 6.873 -5.280 4.752 19759
24 1 4 "Average Difference" HN 6 0.358 -0.286 0.235 19759
25 1 5 "Average Difference" N 6 4.730 3.663 3.278 19759
26 1 5 "Average Difference" HA 7 0.200 -0.177 0.101 19759
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19759
28 1 5 "Average Difference" CA 7 1.707 1.569 0.725 19759
29 1 5 "Average Difference" CB 7 7.554 -6.248 4.586 19759
30 1 5 "Average Difference" HN 6 0.581 -0.485 0.350 19759
31 1 6 "Average Difference" N 6 3.945 2.954 2.864 19759
32 1 6 "Average Difference" HA 7 0.143 -0.106 0.105 19759
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19759
34 1 6 "Average Difference" CA 7 1.407 1.251 0.696 19759
35 1 6 "Average Difference" CB 7 7.322 -6.019 4.503 19759
36 1 6 "Average Difference" HN 6 0.611 -0.540 0.314 19759
37 1 7 "Average Difference" N 6 4.263 3.717 2.288 19759
38 1 7 "Average Difference" HA 7 0.173 -0.099 0.154 19759
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19759
40 1 7 "Average Difference" CA 7 1.634 1.526 0.631 19759
41 1 7 "Average Difference" CB 7 7.452 -5.728 5.149 19759
42 1 7 "Average Difference" HN 6 0.512 -0.336 0.424 19759
43 1 8 "Average Difference" N 6 4.427 2.622 3.907 19759
44 1 8 "Average Difference" HA 7 0.119 -0.070 0.104 19759
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19759
46 1 8 "Average Difference" CA 7 1.693 1.549 0.740 19759
47 1 8 "Average Difference" CB 7 7.224 -5.688 4.810 19759
48 1 8 "Average Difference" HN 6 0.555 -0.465 0.333 19759
49 1 9 "Average Difference" N 6 3.858 3.125 2.477 19759
50 1 9 "Average Difference" HA 7 0.152 -0.109 0.114 19759
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19759
52 1 9 "Average Difference" CA 7 1.560 1.431 0.671 19759
53 1 9 "Average Difference" CB 7 7.254 -5.651 4.912 19759
54 1 9 "Average Difference" HN 6 0.542 -0.457 0.319 19759
55 1 10 "Average Difference" N 6 3.063 2.068 2.474 19759
56 1 10 "Average Difference" HA 7 0.104 -0.028 0.108 19759
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19759
58 1 10 "Average Difference" CA 7 1.769 1.704 0.514 19759
59 1 10 "Average Difference" CB 7 7.026 -5.377 4.885 19759
60 1 10 "Average Difference" HN 6 0.607 -0.463 0.431 19759
61 1 11 "Average Difference" N 6 3.871 2.399 3.328 19759
62 1 11 "Average Difference" HA 7 0.237 -0.215 0.108 19759
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19759
64 1 11 "Average Difference" CA 7 1.875 1.740 0.756 19759
65 1 11 "Average Difference" CB 7 7.044 -5.784 4.342 19759
66 1 11 "Average Difference" HN 6 0.623 -0.557 0.306 19759
67 1 12 "Average Difference" N 6 4.733 2.945 4.058 19759
68 1 12 "Average Difference" HA 7 0.196 -0.143 0.145 19759
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19759
70 1 12 "Average Difference" CA 7 1.782 1.673 0.660 19759
71 1 12 "Average Difference" CB 7 7.435 -5.984 4.765 19759
72 1 12 "Average Difference" HN 6 0.544 -0.446 0.342 19759
73 1 13 "Average Difference" N 6 4.420 4.086 1.848 19759
74 1 13 "Average Difference" HA 7 0.161 -0.108 0.129 19759
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19759
76 1 13 "Average Difference" CA 7 1.525 1.339 0.787 19759
77 1 13 "Average Difference" CB 7 7.308 -5.813 4.784 19759
78 1 13 "Average Difference" HN 6 0.560 -0.476 0.323 19759
79 1 14 "Average Difference" N 6 3.173 1.903 2.781 19759
80 1 14 "Average Difference" HA 7 0.168 -0.149 0.084 19759
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19759
82 1 14 "Average Difference" CA 7 1.762 1.610 0.773 19759
83 1 14 "Average Difference" CB 7 7.249 -5.613 4.954 19759
84 1 14 "Average Difference" HN 6 0.561 -0.500 0.281 19759
85 1 15 "Average Difference" N 6 3.636 2.568 2.819 19759
86 1 15 "Average Difference" HA 7 0.221 -0.028 0.237 19759
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19759
88 1 15 "Average Difference" CA 7 1.610 1.419 0.822 19759
89 1 15 "Average Difference" CB 7 7.163 -5.398 5.087 19759
90 1 15 "Average Difference" HN 6 0.390 -0.278 0.299 19759
91 1 16 "Average Difference" N 6 4.702 3.380 3.580 19759
92 1 16 "Average Difference" HA 7 0.204 -0.172 0.119 19759
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19759
94 1 16 "Average Difference" CA 7 1.619 1.293 1.052 19759
95 1 16 "Average Difference" CB 7 7.424 -6.080 4.602 19759
96 1 16 "Average Difference" HN 6 0.597 -0.451 0.427 19759
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 19759
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 3 3 PRO HA H 3 4.650 4.650 4.475 0.175 19759
2 1 . 1 1 3 3 PRO CA C 3 62.770 62.770 63.650 -0.880 19759
3 1 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.737 0.383 19759
4 1 . 1 1 4 4 THR N N 4 113.200 113.200 114.887 -1.687 19759
5 1 . 1 1 4 4 THR HA H 4 4.710 4.710 4.511 0.199 19759
6 1 . 1 1 4 4 THR CA C 4 59.900 59.900 61.056 -1.156 19759
7 1 . 1 1 4 4 THR CB C 4 79.320 79.320 70.617 8.703 19759
8 1 . 1 1 4 4 THR H H 4 8.710 8.710 8.047 0.663 19759
9 1 . 1 1 5 5 THR N N 5 111.800 111.800 114.920 -3.120 19759
10 1 . 1 1 5 5 THR HA H 5 4.790 4.790 4.645 0.145 19759
11 1 . 1 1 5 5 THR CA C 5 59.280 59.280 61.415 -2.135 19759
12 1 . 1 1 5 5 THR CB C 5 80.090 80.090 70.334 9.756 19759
13 1 . 1 1 5 5 THR H H 5 8.910 8.910 8.201 0.709 19759
14 1 . 1 1 6 6 THR N N 6 110.600 110.600 115.778 -5.178 19759
15 1 . 1 1 6 6 THR HA H 6 4.750 4.750 4.627 0.123 19759
16 1 . 1 1 6 6 THR CA C 6 59.270 59.270 61.273 -2.003 19759
17 1 . 1 1 6 6 THR CB C 6 80.720 80.720 70.204 10.516 19759
18 1 . 1 1 6 6 THR H H 6 8.940 8.940 8.310 0.630 19759
19 1 . 1 1 7 7 THR N N 7 109.800 109.800 114.267 -4.467 19759
20 1 . 1 1 7 7 THR HA H 7 4.530 4.530 4.510 0.020 19759
21 1 . 1 1 7 7 THR CA C 7 59.220 59.220 61.428 -2.208 19759
22 1 . 1 1 7 7 THR CB C 7 79.400 79.400 70.299 9.100 19759
23 1 . 1 1 7 7 THR H H 7 8.880 8.880 8.309 0.571 19759
24 1 . 1 1 8 8 LYS N N 8 119.600 119.600 123.488 -3.888 19759
25 1 . 1 1 8 8 LYS HA H 8 4.240 4.240 4.244 -0.004 19759
26 1 . 1 1 8 8 LYS CA C 8 55.340 55.340 56.362 -1.022 19759
27 1 . 1 1 8 8 LYS CB C 8 33.940 33.940 32.902 1.038 19759
28 1 . 1 1 8 8 LYS H H 8 8.460 8.460 8.483 -0.023 19759
29 1 . 1 1 9 9 LYS N N 9 124.600 124.600 123.490 1.110 19759
30 1 . 1 1 9 9 LYS HA H 9 4.400 4.400 4.358 0.042 19759
31 1 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.645 -1.075 19759
32 1 . 1 1 9 9 LYS CB C 9 32.580 32.580 31.878 0.702 19759
33 1 . 1 1 9 9 LYS H H 9 8.500 8.500 8.355 0.145 19759
stop_
save_