data_25456
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25456
_Entry.PDB_ID 2MYL
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 25456
_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 2 2 SER HA H 2 4.190 4.190 4.661 -0.471 25456
2 1 1 . 1 1 2 2 SER H H 2 7.920 7.920 8.909 -0.989 25456
3 1 1 . 1 1 3 3 GLY H H 3 8.190 8.190 8.119 0.071 25456
4 1 1 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.250 -0.040 25456
5 1 1 . 1 1 4 4 LEU H H 4 7.880 7.880 8.095 -0.215 25456
6 1 1 . 1 1 5 5 SER HA H 5 4.350 4.350 4.480 -0.130 25456
7 1 1 . 1 1 5 5 SER H H 5 8.300 8.300 8.475 -0.175 25456
8 1 1 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.734 -0.883 25456
9 1 1 . 1 1 6 6 PHE H H 6 8.360 8.360 7.606 0.754 25456
10 1 1 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.695 -0.615 25456
11 1 1 . 1 1 10 10 TYR H H 10 7.090 7.090 7.581 -0.491 25456
12 1 1 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.063 0.207 25456
13 1 1 . 1 1 14 14 TYR H H 14 8.120 8.120 8.229 -0.109 25456
14 1 1 . 1 1 15 15 THR HA H 15 4.210 4.210 4.108 0.102 25456
15 1 1 . 1 1 15 15 THR H H 15 7.820 7.820 7.890 -0.070 25456
16 1 1 . 1 1 16 16 MET HA H 16 3.860 3.860 4.358 -0.498 25456
17 1 1 . 1 1 16 16 MET H H 16 7.980 7.980 7.914 0.066 25456
18 1 1 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.736 0.124 25456
19 1 1 . 1 1 17 17 VAL H H 17 7.750 7.750 7.793 -0.043 25456
20 1 1 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.968 0.052 25456
21 1 1 . 1 1 18 18 LEU H H 18 7.740 7.740 7.660 0.080 25456
22 1 1 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.549 -0.029 25456
23 1 1 . 1 1 19 19 HIS H H 19 8.110 8.110 7.726 0.384 25456
24 1 2 . 1 1 2 2 SER HA H 2 4.190 4.190 4.445 -0.255 25456
25 1 2 . 1 1 2 2 SER H H 2 7.920 7.920 8.248 -0.328 25456
26 1 2 . 1 1 3 3 GLY H H 3 8.190 8.190 8.176 0.014 25456
27 1 2 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.184 0.026 25456
28 1 2 . 1 1 4 4 LEU H H 4 7.880 7.880 8.073 -0.193 25456
29 1 2 . 1 1 5 5 SER HA H 5 4.350 4.350 4.355 -0.005 25456
30 1 2 . 1 1 5 5 SER H H 5 8.300 8.300 8.331 -0.031 25456
31 1 2 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.849 -0.999 25456
32 1 2 . 1 1 6 6 PHE H H 6 8.360 8.360 7.445 0.915 25456
33 1 2 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.794 -0.714 25456
34 1 2 . 1 1 10 10 TYR H H 10 7.090 7.090 7.672 -0.582 25456
35 1 2 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.203 0.067 25456
36 1 2 . 1 1 14 14 TYR H H 14 8.120 8.120 8.422 -0.302 25456
37 1 2 . 1 1 15 15 THR HA H 15 4.210 4.210 4.178 0.032 25456
38 1 2 . 1 1 15 15 THR H H 15 7.820 7.820 7.951 -0.131 25456
39 1 2 . 1 1 16 16 MET HA H 16 3.860 3.860 4.357 -0.497 25456
40 1 2 . 1 1 16 16 MET H H 16 7.980 7.980 7.977 0.003 25456
41 1 2 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.777 0.083 25456
42 1 2 . 1 1 17 17 VAL H H 17 7.750 7.750 7.779 -0.029 25456
43 1 2 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.992 0.028 25456
44 1 2 . 1 1 18 18 LEU H H 18 7.740 7.740 7.550 0.190 25456
45 1 2 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.559 -0.039 25456
46 1 2 . 1 1 19 19 HIS H H 19 8.110 8.110 7.763 0.347 25456
47 1 3 . 1 1 2 2 SER HA H 2 4.190 4.190 4.544 -0.354 25456
48 1 3 . 1 1 2 2 SER H H 2 7.920 7.920 8.859 -0.939 25456
49 1 3 . 1 1 3 3 GLY H H 3 8.190 8.190 8.106 0.084 25456
50 1 3 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.252 -0.042 25456
51 1 3 . 1 1 4 4 LEU H H 4 7.880 7.880 8.099 -0.219 25456
52 1 3 . 1 1 5 5 SER HA H 5 4.350 4.350 4.473 -0.123 25456
53 1 3 . 1 1 5 5 SER H H 5 8.300 8.300 8.541 -0.241 25456
54 1 3 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.802 -0.952 25456
55 1 3 . 1 1 6 6 PHE H H 6 8.360 8.360 7.562 0.798 25456
56 1 3 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.842 -0.762 25456
57 1 3 . 1 1 10 10 TYR H H 10 7.090 7.090 7.699 -0.609 25456
58 1 3 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.175 0.095 25456
59 1 3 . 1 1 14 14 TYR H H 14 8.120 8.120 8.366 -0.246 25456
60 1 3 . 1 1 15 15 THR HA H 15 4.210 4.210 4.196 0.014 25456
61 1 3 . 1 1 15 15 THR H H 15 7.820 7.820 7.954 -0.134 25456
62 1 3 . 1 1 16 16 MET HA H 16 3.860 3.860 4.378 -0.518 25456
63 1 3 . 1 1 16 16 MET H H 16 7.980 7.980 7.936 0.044 25456
64 1 3 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.779 0.081 25456
65 1 3 . 1 1 17 17 VAL H H 17 7.750 7.750 7.787 -0.037 25456
66 1 3 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.041 -0.021 25456
67 1 3 . 1 1 18 18 LEU H H 18 7.740 7.740 7.598 0.142 25456
68 1 3 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.579 -0.059 25456
69 1 3 . 1 1 19 19 HIS H H 19 8.110 8.110 7.773 0.337 25456
70 1 4 . 1 1 2 2 SER HA H 2 4.190 4.190 4.651 -0.461 25456
71 1 4 . 1 1 2 2 SER H H 2 7.920 7.920 8.502 -0.582 25456
72 1 4 . 1 1 3 3 GLY H H 3 8.190 8.190 8.218 -0.028 25456
73 1 4 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.324 -0.114 25456
74 1 4 . 1 1 4 4 LEU H H 4 7.880 7.880 8.024 -0.144 25456
75 1 4 . 1 1 5 5 SER HA H 5 4.350 4.350 4.377 -0.027 25456
76 1 4 . 1 1 5 5 SER H H 5 8.300 8.300 8.540 -0.240 25456
77 1 4 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.805 -0.955 25456
78 1 4 . 1 1 6 6 PHE H H 6 8.360 8.360 7.629 0.731 25456
79 1 4 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.782 -0.702 25456
80 1 4 . 1 1 10 10 TYR H H 10 7.090 7.090 7.718 -0.628 25456
81 1 4 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.198 0.072 25456
82 1 4 . 1 1 14 14 TYR H H 14 8.120 8.120 8.389 -0.269 25456
83 1 4 . 1 1 15 15 THR HA H 15 4.210 4.210 4.148 0.062 25456
84 1 4 . 1 1 15 15 THR H H 15 7.820 7.820 7.960 -0.140 25456
85 1 4 . 1 1 16 16 MET HA H 16 3.860 3.860 4.420 -0.560 25456
86 1 4 . 1 1 16 16 MET H H 16 7.980 7.980 7.929 0.051 25456
87 1 4 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.701 0.159 25456
88 1 4 . 1 1 17 17 VAL H H 17 7.750 7.750 7.754 -0.004 25456
89 1 4 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.931 0.089 25456
90 1 4 . 1 1 18 18 LEU H H 18 7.740 7.740 7.597 0.143 25456
91 1 4 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.424 0.096 25456
92 1 4 . 1 1 19 19 HIS H H 19 8.110 8.110 7.764 0.346 25456
93 1 5 . 1 1 2 2 SER HA H 2 4.190 4.190 4.808 -0.618 25456
94 1 5 . 1 1 2 2 SER H H 2 7.920 7.920 9.079 -1.159 25456
95 1 5 . 1 1 3 3 GLY H H 3 8.190 8.190 8.395 -0.205 25456
96 1 5 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.653 -0.443 25456
97 1 5 . 1 1 4 4 LEU H H 4 7.880 7.880 7.895 -0.015 25456
98 1 5 . 1 1 5 5 SER HA H 5 4.350 4.350 4.244 0.106 25456
99 1 5 . 1 1 5 5 SER H H 5 8.300 8.300 8.033 0.267 25456
100 1 5 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.502 -0.652 25456
101 1 5 . 1 1 6 6 PHE H H 6 8.360 8.360 8.094 0.266 25456
102 1 5 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.718 -0.638 25456
103 1 5 . 1 1 10 10 TYR H H 10 7.090 7.090 7.651 -0.561 25456
104 1 5 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.195 0.075 25456
105 1 5 . 1 1 14 14 TYR H H 14 8.120 8.120 8.499 -0.379 25456
106 1 5 . 1 1 15 15 THR HA H 15 4.210 4.210 4.181 0.029 25456
107 1 5 . 1 1 15 15 THR H H 15 7.820 7.820 8.141 -0.321 25456
108 1 5 . 1 1 16 16 MET HA H 16 3.860 3.860 4.360 -0.500 25456
109 1 5 . 1 1 16 16 MET H H 16 7.980 7.980 7.896 0.084 25456
110 1 5 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.708 0.152 25456
111 1 5 . 1 1 17 17 VAL H H 17 7.750 7.750 7.716 0.034 25456
112 1 5 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.979 0.041 25456
113 1 5 . 1 1 18 18 LEU H H 18 7.740 7.740 7.570 0.170 25456
114 1 5 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.556 -0.036 25456
115 1 5 . 1 1 19 19 HIS H H 19 8.110 8.110 7.752 0.358 25456
116 1 6 . 1 1 2 2 SER HA H 2 4.190 4.190 4.494 -0.304 25456
117 1 6 . 1 1 2 2 SER H H 2 7.920 7.920 8.474 -0.554 25456
118 1 6 . 1 1 3 3 GLY H H 3 8.190 8.190 8.323 -0.133 25456
119 1 6 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.833 -0.623 25456
120 1 6 . 1 1 4 4 LEU H H 4 7.880 7.880 7.923 -0.043 25456
121 1 6 . 1 1 5 5 SER HA H 5 4.350 4.350 4.553 -0.203 25456
122 1 6 . 1 1 5 5 SER H H 5 8.300 8.300 7.999 0.301 25456
123 1 6 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.696 -0.846 25456
124 1 6 . 1 1 6 6 PHE H H 6 8.360 8.360 8.112 0.248 25456
125 1 6 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.677 -0.597 25456
126 1 6 . 1 1 10 10 TYR H H 10 7.090 7.090 7.578 -0.488 25456
127 1 6 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.188 0.082 25456
128 1 6 . 1 1 14 14 TYR H H 14 8.120 8.120 8.509 -0.389 25456
129 1 6 . 1 1 15 15 THR HA H 15 4.210 4.210 4.162 0.048 25456
130 1 6 . 1 1 15 15 THR H H 15 7.820 7.820 7.976 -0.156 25456
131 1 6 . 1 1 16 16 MET HA H 16 3.860 3.860 4.453 -0.593 25456
132 1 6 . 1 1 16 16 MET H H 16 7.980 7.980 7.852 0.128 25456
133 1 6 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.785 0.075 25456
134 1 6 . 1 1 17 17 VAL H H 17 7.750 7.750 7.807 -0.057 25456
135 1 6 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.954 0.066 25456
136 1 6 . 1 1 18 18 LEU H H 18 7.740 7.740 7.650 0.090 25456
137 1 6 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.544 -0.024 25456
138 1 6 . 1 1 19 19 HIS H H 19 8.110 8.110 7.727 0.383 25456
139 1 7 . 1 1 2 2 SER HA H 2 4.190 4.190 4.592 -0.402 25456
140 1 7 . 1 1 2 2 SER H H 2 7.920 7.920 8.835 -0.915 25456
141 1 7 . 1 1 3 3 GLY H H 3 8.190 8.190 8.118 0.072 25456
142 1 7 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.356 -0.146 25456
143 1 7 . 1 1 4 4 LEU H H 4 7.880 7.880 7.815 0.065 25456
144 1 7 . 1 1 5 5 SER HA H 5 4.350 4.350 4.417 -0.067 25456
145 1 7 . 1 1 5 5 SER H H 5 8.300 8.300 8.166 0.134 25456
146 1 7 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.802 -0.952 25456
147 1 7 . 1 1 6 6 PHE H H 6 8.360 8.360 7.342 1.018 25456
148 1 7 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.798 -0.718 25456
149 1 7 . 1 1 10 10 TYR H H 10 7.090 7.090 7.684 -0.594 25456
150 1 7 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.103 0.167 25456
151 1 7 . 1 1 14 14 TYR H H 14 8.120 8.120 8.395 -0.275 25456
152 1 7 . 1 1 15 15 THR HA H 15 4.210 4.210 4.184 0.026 25456
153 1 7 . 1 1 15 15 THR H H 15 7.820 7.820 7.733 0.087 25456
154 1 7 . 1 1 16 16 MET HA H 16 3.860 3.860 4.363 -0.503 25456
155 1 7 . 1 1 16 16 MET H H 16 7.980 7.980 7.890 0.090 25456
156 1 7 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.691 0.169 25456
157 1 7 . 1 1 17 17 VAL H H 17 7.750 7.750 7.866 -0.116 25456
158 1 7 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.064 -0.044 25456
159 1 7 . 1 1 18 18 LEU H H 18 7.740 7.740 7.810 -0.070 25456
160 1 7 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.575 -0.055 25456
161 1 7 . 1 1 19 19 HIS H H 19 8.110 8.110 7.772 0.338 25456
162 1 8 . 1 1 2 2 SER HA H 2 4.190 4.190 4.730 -0.540 25456
163 1 8 . 1 1 2 2 SER H H 2 7.920 7.920 8.836 -0.916 25456
164 1 8 . 1 1 3 3 GLY H H 3 8.190 8.190 8.184 0.006 25456
165 1 8 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.353 -0.143 25456
166 1 8 . 1 1 4 4 LEU H H 4 7.880 7.880 7.999 -0.119 25456
167 1 8 . 1 1 5 5 SER HA H 5 4.350 4.350 4.562 -0.212 25456
168 1 8 . 1 1 5 5 SER H H 5 8.300 8.300 8.409 -0.109 25456
169 1 8 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.860 -1.010 25456
170 1 8 . 1 1 6 6 PHE H H 6 8.360 8.360 7.468 0.892 25456
171 1 8 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.705 -0.625 25456
172 1 8 . 1 1 10 10 TYR H H 10 7.090 7.090 7.706 -0.616 25456
173 1 8 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.158 0.112 25456
174 1 8 . 1 1 14 14 TYR H H 14 8.120 8.120 8.356 -0.236 25456
175 1 8 . 1 1 15 15 THR HA H 15 4.210 4.210 4.137 0.073 25456
176 1 8 . 1 1 15 15 THR H H 15 7.820 7.820 7.720 0.100 25456
177 1 8 . 1 1 16 16 MET HA H 16 3.860 3.860 4.319 -0.459 25456
178 1 8 . 1 1 16 16 MET H H 16 7.980 7.980 7.963 0.017 25456
179 1 8 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.696 0.164 25456
180 1 8 . 1 1 17 17 VAL H H 17 7.750 7.750 7.815 -0.065 25456
181 1 8 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.953 0.067 25456
182 1 8 . 1 1 18 18 LEU H H 18 7.740 7.740 7.658 0.082 25456
183 1 8 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.551 -0.031 25456
184 1 8 . 1 1 19 19 HIS H H 19 8.110 8.110 7.713 0.397 25456
185 1 9 . 1 1 2 2 SER HA H 2 4.190 4.190 4.619 -0.429 25456
186 1 9 . 1 1 2 2 SER H H 2 7.920 7.920 8.872 -0.952 25456
187 1 9 . 1 1 3 3 GLY H H 3 8.190 8.190 8.252 -0.062 25456
188 1 9 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.629 -0.419 25456
189 1 9 . 1 1 4 4 LEU H H 4 7.880 7.880 7.990 -0.110 25456
190 1 9 . 1 1 5 5 SER HA H 5 4.350 4.350 4.591 -0.241 25456
191 1 9 . 1 1 5 5 SER H H 5 8.300 8.300 8.246 0.054 25456
192 1 9 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.785 -0.935 25456
193 1 9 . 1 1 6 6 PHE H H 6 8.360 8.360 8.029 0.331 25456
194 1 9 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.720 -0.639 25456
195 1 9 . 1 1 10 10 TYR H H 10 7.090 7.090 7.623 -0.533 25456
196 1 9 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.187 0.083 25456
197 1 9 . 1 1 14 14 TYR H H 14 8.120 8.120 8.511 -0.391 25456
198 1 9 . 1 1 15 15 THR HA H 15 4.210 4.210 4.169 0.041 25456
199 1 9 . 1 1 15 15 THR H H 15 7.820 7.820 7.989 -0.169 25456
200 1 9 . 1 1 16 16 MET HA H 16 3.860 3.860 4.489 -0.629 25456
201 1 9 . 1 1 16 16 MET H H 16 7.980 7.980 7.839 0.141 25456
202 1 9 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.784 0.076 25456
203 1 9 . 1 1 17 17 VAL H H 17 7.750 7.750 7.804 -0.054 25456
204 1 9 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.943 0.077 25456
205 1 9 . 1 1 18 18 LEU H H 18 7.740 7.740 7.626 0.114 25456
206 1 9 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.420 0.100 25456
207 1 9 . 1 1 19 19 HIS H H 19 8.110 8.110 7.760 0.350 25456
208 1 10 . 1 1 2 2 SER HA H 2 4.190 4.190 4.805 -0.615 25456
209 1 10 . 1 1 2 2 SER H H 2 7.920 7.920 8.949 -1.029 25456
210 1 10 . 1 1 3 3 GLY H H 3 8.190 8.190 8.124 0.066 25456
211 1 10 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.400 -0.190 25456
212 1 10 . 1 1 4 4 LEU H H 4 7.880 7.880 8.144 -0.264 25456
213 1 10 . 1 1 5 5 SER HA H 5 4.350 4.350 4.471 -0.121 25456
214 1 10 . 1 1 5 5 SER H H 5 8.300 8.300 8.288 0.012 25456
215 1 10 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.805 -0.955 25456
216 1 10 . 1 1 6 6 PHE H H 6 8.360 8.360 7.859 0.501 25456
217 1 10 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.674 -0.594 25456
218 1 10 . 1 1 10 10 TYR H H 10 7.090 7.090 7.673 -0.583 25456
219 1 10 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.146 0.124 25456
220 1 10 . 1 1 14 14 TYR H H 14 8.120 8.120 8.410 -0.290 25456
221 1 10 . 1 1 15 15 THR HA H 15 4.210 4.210 4.198 0.012 25456
222 1 10 . 1 1 15 15 THR H H 15 7.820 7.820 7.943 -0.123 25456
223 1 10 . 1 1 16 16 MET HA H 16 3.860 3.860 4.384 -0.524 25456
224 1 10 . 1 1 16 16 MET H H 16 7.980 7.980 7.911 0.069 25456
225 1 10 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.725 0.135 25456
226 1 10 . 1 1 17 17 VAL H H 17 7.750 7.750 7.906 -0.156 25456
227 1 10 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.018 0.002 25456
228 1 10 . 1 1 18 18 LEU H H 18 7.740 7.740 7.624 0.116 25456
229 1 10 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.574 -0.054 25456
230 1 10 . 1 1 19 19 HIS H H 19 8.110 8.110 7.760 0.350 25456
231 1 11 . 1 1 2 2 SER HA H 2 4.190 4.190 4.643 -0.453 25456
232 1 11 . 1 1 2 2 SER H H 2 7.920 7.920 9.064 -1.144 25456
233 1 11 . 1 1 3 3 GLY H H 3 8.190 8.190 8.191 -0.001 25456
234 1 11 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.613 -0.403 25456
235 1 11 . 1 1 4 4 LEU H H 4 7.880 7.880 8.108 -0.228 25456
236 1 11 . 1 1 5 5 SER HA H 5 4.350 4.350 4.366 -0.016 25456
237 1 11 . 1 1 5 5 SER H H 5 8.300 8.300 8.524 -0.224 25456
238 1 11 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.799 -0.949 25456
239 1 11 . 1 1 6 6 PHE H H 6 8.360 8.360 7.451 0.909 25456
240 1 11 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.751 -0.671 25456
241 1 11 . 1 1 10 10 TYR H H 10 7.090 7.090 7.728 -0.638 25456
242 1 11 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.140 0.130 25456
243 1 11 . 1 1 14 14 TYR H H 14 8.120 8.120 8.464 -0.344 25456
244 1 11 . 1 1 15 15 THR HA H 15 4.210 4.210 4.161 0.049 25456
245 1 11 . 1 1 15 15 THR H H 15 7.820 7.820 8.048 -0.228 25456
246 1 11 . 1 1 16 16 MET HA H 16 3.860 3.860 4.378 -0.518 25456
247 1 11 . 1 1 16 16 MET H H 16 7.980 7.980 7.937 0.043 25456
248 1 11 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.719 0.141 25456
249 1 11 . 1 1 17 17 VAL H H 17 7.750 7.750 7.928 -0.178 25456
250 1 11 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.904 0.116 25456
251 1 11 . 1 1 18 18 LEU H H 18 7.740 7.740 7.506 0.234 25456
252 1 11 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.544 -0.024 25456
253 1 11 . 1 1 19 19 HIS H H 19 8.110 8.110 7.705 0.405 25456
254 1 12 . 1 1 2 2 SER HA H 2 4.190 4.190 4.419 -0.229 25456
255 1 12 . 1 1 2 2 SER H H 2 7.920 7.920 8.918 -0.998 25456
256 1 12 . 1 1 3 3 GLY H H 3 8.190 8.190 8.184 0.006 25456
257 1 12 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.764 -0.554 25456
258 1 12 . 1 1 4 4 LEU H H 4 7.880 7.880 7.959 -0.079 25456
259 1 12 . 1 1 5 5 SER HA H 5 4.350 4.350 4.638 -0.288 25456
260 1 12 . 1 1 5 5 SER H H 5 8.300 8.300 8.353 -0.053 25456
261 1 12 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.732 -0.882 25456
262 1 12 . 1 1 6 6 PHE H H 6 8.360 8.360 8.170 0.190 25456
263 1 12 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.738 -0.658 25456
264 1 12 . 1 1 10 10 TYR H H 10 7.090 7.090 7.696 -0.606 25456
265 1 12 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.053 0.217 25456
266 1 12 . 1 1 14 14 TYR H H 14 8.120 8.120 8.248 -0.128 25456
267 1 12 . 1 1 15 15 THR HA H 15 4.210 4.210 4.133 0.077 25456
268 1 12 . 1 1 15 15 THR H H 15 7.820 7.820 7.704 0.116 25456
269 1 12 . 1 1 16 16 MET HA H 16 3.860 3.860 4.340 -0.480 25456
270 1 12 . 1 1 16 16 MET H H 16 7.980 7.980 7.908 0.072 25456
271 1 12 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.688 0.172 25456
272 1 12 . 1 1 17 17 VAL H H 17 7.750 7.750 7.628 0.122 25456
273 1 12 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.954 0.066 25456
274 1 12 . 1 1 18 18 LEU H H 18 7.740 7.740 7.493 0.247 25456
275 1 12 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.541 -0.021 25456
276 1 12 . 1 1 19 19 HIS H H 19 8.110 8.110 7.743 0.367 25456
277 1 13 . 1 1 2 2 SER HA H 2 4.190 4.190 4.645 -0.455 25456
278 1 13 . 1 1 2 2 SER H H 2 7.920 7.920 8.790 -0.870 25456
279 1 13 . 1 1 3 3 GLY H H 3 8.190 8.190 8.341 -0.151 25456
280 1 13 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.693 -0.483 25456
281 1 13 . 1 1 4 4 LEU H H 4 7.880 7.880 7.877 0.003 25456
282 1 13 . 1 1 5 5 SER HA H 5 4.350 4.350 4.320 0.030 25456
283 1 13 . 1 1 5 5 SER H H 5 8.300 8.300 8.064 0.236 25456
284 1 13 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.467 -0.617 25456
285 1 13 . 1 1 6 6 PHE H H 6 8.360 8.360 8.255 0.105 25456
286 1 13 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.722 -0.642 25456
287 1 13 . 1 1 10 10 TYR H H 10 7.090 7.090 7.669 -0.579 25456
288 1 13 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.047 0.223 25456
289 1 13 . 1 1 14 14 TYR H H 14 8.120 8.120 8.311 -0.191 25456
290 1 13 . 1 1 15 15 THR HA H 15 4.210 4.210 4.099 0.111 25456
291 1 13 . 1 1 15 15 THR H H 15 7.820 7.820 7.979 -0.159 25456
292 1 13 . 1 1 16 16 MET HA H 16 3.860 3.860 4.396 -0.536 25456
293 1 13 . 1 1 16 16 MET H H 16 7.980 7.980 7.913 0.067 25456
294 1 13 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.673 0.187 25456
295 1 13 . 1 1 17 17 VAL H H 17 7.750 7.750 7.778 -0.028 25456
296 1 13 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.935 0.085 25456
297 1 13 . 1 1 18 18 LEU H H 18 7.740 7.740 7.632 0.108 25456
298 1 13 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.541 -0.021 25456
299 1 13 . 1 1 19 19 HIS H H 19 8.110 8.110 7.707 0.403 25456
300 1 14 . 1 1 2 2 SER HA H 2 4.190 4.190 4.609 -0.419 25456
301 1 14 . 1 1 2 2 SER H H 2 7.920 7.920 8.675 -0.755 25456
302 1 14 . 1 1 3 3 GLY H H 3 8.190 8.190 7.926 0.264 25456
303 1 14 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.553 -0.343 25456
304 1 14 . 1 1 4 4 LEU H H 4 7.880 7.880 8.159 -0.279 25456
305 1 14 . 1 1 5 5 SER HA H 5 4.350 4.350 4.608 -0.258 25456
306 1 14 . 1 1 5 5 SER H H 5 8.300 8.300 7.995 0.305 25456
307 1 14 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.787 -0.937 25456
308 1 14 . 1 1 6 6 PHE H H 6 8.360 8.360 7.945 0.415 25456
309 1 14 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.570 -0.490 25456
310 1 14 . 1 1 10 10 TYR H H 10 7.090 7.090 7.596 -0.506 25456
311 1 14 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.156 0.114 25456
312 1 14 . 1 1 14 14 TYR H H 14 8.120 8.120 8.271 -0.151 25456
313 1 14 . 1 1 15 15 THR HA H 15 4.210 4.210 4.195 0.015 25456
314 1 14 . 1 1 15 15 THR H H 15 7.820 7.820 7.705 0.115 25456
315 1 14 . 1 1 16 16 MET HA H 16 3.860 3.860 4.347 -0.487 25456
316 1 14 . 1 1 16 16 MET H H 16 7.980 7.980 7.945 0.035 25456
317 1 14 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.727 0.133 25456
318 1 14 . 1 1 17 17 VAL H H 17 7.750 7.750 7.722 0.028 25456
319 1 14 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.058 -0.038 25456
320 1 14 . 1 1 18 18 LEU H H 18 7.740 7.740 7.668 0.072 25456
321 1 14 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.560 -0.040 25456
322 1 14 . 1 1 19 19 HIS H H 19 8.110 8.110 7.787 0.323 25456
323 1 15 . 1 1 2 2 SER HA H 2 4.190 4.190 4.706 -0.516 25456
324 1 15 . 1 1 2 2 SER H H 2 7.920 7.920 9.190 -1.270 25456
325 1 15 . 1 1 3 3 GLY H H 3 8.190 8.190 8.194 -0.004 25456
326 1 15 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.656 -0.446 25456
327 1 15 . 1 1 4 4 LEU H H 4 7.880 7.880 7.983 -0.103 25456
328 1 15 . 1 1 5 5 SER HA H 5 4.350 4.350 4.329 0.021 25456
329 1 15 . 1 1 5 5 SER H H 5 8.300 8.300 8.134 0.166 25456
330 1 15 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.471 -0.621 25456
331 1 15 . 1 1 6 6 PHE H H 6 8.360 8.360 8.277 0.083 25456
332 1 15 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.725 -0.645 25456
333 1 15 . 1 1 10 10 TYR H H 10 7.090 7.090 7.716 -0.626 25456
334 1 15 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.100 0.170 25456
335 1 15 . 1 1 14 14 TYR H H 14 8.120 8.120 8.386 -0.266 25456
336 1 15 . 1 1 15 15 THR HA H 15 4.210 4.210 4.061 0.149 25456
337 1 15 . 1 1 15 15 THR H H 15 7.820 7.820 8.013 -0.193 25456
338 1 15 . 1 1 16 16 MET HA H 16 3.860 3.860 4.334 -0.474 25456
339 1 15 . 1 1 16 16 MET H H 16 7.980 7.980 7.905 0.075 25456
340 1 15 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.744 0.116 25456
341 1 15 . 1 1 17 17 VAL H H 17 7.750 7.750 7.810 -0.060 25456
342 1 15 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.944 0.076 25456
343 1 15 . 1 1 18 18 LEU H H 18 7.740 7.740 7.633 0.107 25456
344 1 15 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.535 -0.015 25456
345 1 15 . 1 1 19 19 HIS H H 19 8.110 8.110 7.716 0.394 25456
346 1 16 . 1 1 2 2 SER HA H 2 4.190 4.190 4.527 -0.337 25456
347 1 16 . 1 1 2 2 SER H H 2 7.920 7.920 8.707 -0.787 25456
348 1 16 . 1 1 3 3 GLY H H 3 8.190 8.190 8.393 -0.203 25456
349 1 16 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.446 -0.236 25456
350 1 16 . 1 1 4 4 LEU H H 4 7.880 7.880 8.057 -0.177 25456
351 1 16 . 1 1 5 5 SER HA H 5 4.350 4.350 4.521 -0.171 25456
352 1 16 . 1 1 5 5 SER H H 5 8.300 8.300 8.269 0.031 25456
353 1 16 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.788 -0.938 25456
354 1 16 . 1 1 6 6 PHE H H 6 8.360 8.360 7.400 0.960 25456
355 1 16 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.654 -0.574 25456
356 1 16 . 1 1 10 10 TYR H H 10 7.090 7.090 7.613 -0.523 25456
357 1 16 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.064 0.206 25456
358 1 16 . 1 1 14 14 TYR H H 14 8.120 8.120 8.203 -0.083 25456
359 1 16 . 1 1 15 15 THR HA H 15 4.210 4.210 4.110 0.100 25456
360 1 16 . 1 1 15 15 THR H H 15 7.820 7.820 8.008 -0.189 25456
361 1 16 . 1 1 16 16 MET HA H 16 3.860 3.860 4.315 -0.455 25456
362 1 16 . 1 1 16 16 MET H H 16 7.980 7.980 7.954 0.026 25456
363 1 16 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.773 0.087 25456
364 1 16 . 1 1 17 17 VAL H H 17 7.750 7.750 7.737 0.013 25456
365 1 16 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.916 0.104 25456
366 1 16 . 1 1 18 18 LEU H H 18 7.740 7.740 7.449 0.291 25456
367 1 16 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.525 -0.005 25456
368 1 16 . 1 1 19 19 HIS H H 19 8.110 8.110 7.719 0.391 25456
369 1 17 . 1 1 2 2 SER HA H 2 4.190 4.190 4.651 -0.461 25456
370 1 17 . 1 1 2 2 SER H H 2 7.920 7.920 8.919 -0.999 25456
371 1 17 . 1 1 3 3 GLY H H 3 8.190 8.190 8.306 -0.116 25456
372 1 17 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.524 -0.314 25456
373 1 17 . 1 1 4 4 LEU H H 4 7.880 7.880 8.228 -0.348 25456
374 1 17 . 1 1 5 5 SER HA H 5 4.350 4.350 4.545 -0.195 25456
375 1 17 . 1 1 5 5 SER H H 5 8.300 8.300 8.110 0.190 25456
376 1 17 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.773 -0.923 25456
377 1 17 . 1 1 6 6 PHE H H 6 8.360 8.360 8.304 0.056 25456
378 1 17 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.761 -0.681 25456
379 1 17 . 1 1 10 10 TYR H H 10 7.090 7.090 7.626 -0.536 25456
380 1 17 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.043 0.227 25456
381 1 17 . 1 1 14 14 TYR H H 14 8.120 8.120 8.330 -0.210 25456
382 1 17 . 1 1 15 15 THR HA H 15 4.210 4.210 4.108 0.102 25456
383 1 17 . 1 1 15 15 THR H H 15 7.820 7.820 7.887 -0.067 25456
384 1 17 . 1 1 16 16 MET HA H 16 3.860 3.860 4.340 -0.480 25456
385 1 17 . 1 1 16 16 MET H H 16 7.980 7.980 7.855 0.125 25456
386 1 17 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.669 0.191 25456
387 1 17 . 1 1 17 17 VAL H H 17 7.750 7.750 7.805 -0.055 25456
388 1 17 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.033 -0.013 25456
389 1 17 . 1 1 18 18 LEU H H 18 7.740 7.740 7.743 -0.003 25456
390 1 17 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.553 -0.033 25456
391 1 17 . 1 1 19 19 HIS H H 19 8.110 8.110 7.763 0.347 25456
392 1 18 . 1 1 2 2 SER HA H 2 4.190 4.190 4.565 -0.375 25456
393 1 18 . 1 1 2 2 SER H H 2 7.920 7.920 8.619 -0.699 25456
394 1 18 . 1 1 3 3 GLY H H 3 8.190 8.190 7.998 0.192 25456
395 1 18 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.220 -0.010 25456
396 1 18 . 1 1 4 4 LEU H H 4 7.880 7.880 8.082 -0.202 25456
397 1 18 . 1 1 5 5 SER HA H 5 4.350 4.350 4.529 -0.179 25456
398 1 18 . 1 1 5 5 SER H H 5 8.300 8.300 8.366 -0.066 25456
399 1 18 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.708 -0.858 25456
400 1 18 . 1 1 6 6 PHE H H 6 8.360 8.360 7.453 0.907 25456
401 1 18 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.775 -0.695 25456
402 1 18 . 1 1 10 10 TYR H H 10 7.090 7.090 7.638 -0.548 25456
403 1 18 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.099 0.171 25456
404 1 18 . 1 1 14 14 TYR H H 14 8.120 8.120 8.309 -0.189 25456
405 1 18 . 1 1 15 15 THR HA H 15 4.210 4.210 4.106 0.104 25456
406 1 18 . 1 1 15 15 THR H H 15 7.820 7.820 7.678 0.142 25456
407 1 18 . 1 1 16 16 MET HA H 16 3.860 3.860 4.354 -0.494 25456
408 1 18 . 1 1 16 16 MET H H 16 7.980 7.980 7.901 0.079 25456
409 1 18 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.691 0.169 25456
410 1 18 . 1 1 17 17 VAL H H 17 7.750 7.750 7.628 0.122 25456
411 1 18 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.909 0.111 25456
412 1 18 . 1 1 18 18 LEU H H 18 7.740 7.740 7.439 0.301 25456
413 1 18 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.522 -0.002 25456
414 1 18 . 1 1 19 19 HIS H H 19 8.110 8.110 7.725 0.385 25456
415 1 19 . 1 1 2 2 SER HA H 2 4.190 4.190 4.494 -0.304 25456
416 1 19 . 1 1 2 2 SER H H 2 7.920 7.920 8.495 -0.575 25456
417 1 19 . 1 1 3 3 GLY H H 3 8.190 8.190 7.908 0.282 25456
418 1 19 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.516 -0.306 25456
419 1 19 . 1 1 4 4 LEU H H 4 7.880 7.880 8.050 -0.170 25456
420 1 19 . 1 1 5 5 SER HA H 5 4.350 4.350 4.352 -0.002 25456
421 1 19 . 1 1 5 5 SER H H 5 8.300 8.300 7.991 0.309 25456
422 1 19 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.563 -0.713 25456
423 1 19 . 1 1 6 6 PHE H H 6 8.360 8.360 8.094 0.266 25456
424 1 19 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.751 -0.671 25456
425 1 19 . 1 1 10 10 TYR H H 10 7.090 7.090 7.852 -0.762 25456
426 1 19 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.099 0.171 25456
427 1 19 . 1 1 14 14 TYR H H 14 8.120 8.120 8.267 -0.147 25456
428 1 19 . 1 1 15 15 THR HA H 15 4.210 4.210 4.229 -0.019 25456
429 1 19 . 1 1 15 15 THR H H 15 7.820 7.820 7.863 -0.043 25456
430 1 19 . 1 1 16 16 MET HA H 16 3.860 3.860 4.532 -0.672 25456
431 1 19 . 1 1 16 16 MET H H 16 7.980 7.980 7.813 0.167 25456
432 1 19 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.721 0.139 25456
433 1 19 . 1 1 17 17 VAL H H 17 7.750 7.750 7.824 -0.074 25456
434 1 19 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.045 -0.025 25456
435 1 19 . 1 1 18 18 LEU H H 18 7.740 7.740 7.786 -0.046 25456
436 1 19 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.446 0.074 25456
437 1 19 . 1 1 19 19 HIS H H 19 8.110 8.110 7.808 0.302 25456
438 1 20 . 1 1 2 2 SER HA H 2 4.190 4.190 4.424 -0.234 25456
439 1 20 . 1 1 2 2 SER H H 2 7.920 7.920 8.341 -0.421 25456
440 1 20 . 1 1 3 3 GLY H H 3 8.190 8.190 8.384 -0.194 25456
441 1 20 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.613 -0.403 25456
442 1 20 . 1 1 4 4 LEU H H 4 7.880 7.880 7.896 -0.016 25456
443 1 20 . 1 1 5 5 SER HA H 5 4.350 4.350 4.222 0.128 25456
444 1 20 . 1 1 5 5 SER H H 5 8.300 8.300 8.045 0.255 25456
445 1 20 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.472 -0.622 25456
446 1 20 . 1 1 6 6 PHE H H 6 8.360 8.360 8.173 0.187 25456
447 1 20 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.822 -0.742 25456
448 1 20 . 1 1 10 10 TYR H H 10 7.090 7.090 7.689 -0.599 25456
449 1 20 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.056 0.214 25456
450 1 20 . 1 1 14 14 TYR H H 14 8.120 8.120 8.371 -0.251 25456
451 1 20 . 1 1 15 15 THR HA H 15 4.210 4.210 4.147 0.063 25456
452 1 20 . 1 1 15 15 THR H H 15 7.820 7.820 7.947 -0.127 25456
453 1 20 . 1 1 16 16 MET HA H 16 3.860 3.860 4.379 -0.519 25456
454 1 20 . 1 1 16 16 MET H H 16 7.980 7.980 7.910 0.070 25456
455 1 20 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.626 0.234 25456
456 1 20 . 1 1 17 17 VAL H H 17 7.750 7.750 7.871 -0.121 25456
457 1 20 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.952 0.068 25456
458 1 20 . 1 1 18 18 LEU H H 18 7.740 7.740 7.604 0.136 25456
459 1 20 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.435 0.085 25456
460 1 20 . 1 1 19 19 HIS H H 19 8.110 8.110 7.781 0.329 25456
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 0 0.000 0.000 0.000 25456
2 1 1 "Average Difference" HA 13 0.365 0.158 0.343 25456
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25456
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25456
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25456
6 1 1 "Average Difference" HN 12 0.413 0.061 0.427 25456
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25456
8 1 2 "Average Difference" HA 13 0.385 0.208 0.338 25456
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25456
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25456
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25456
12 1 2 "Average Difference" HN 12 0.364 0.010 0.380 25456
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25456
14 1 3 "Average Difference" HA 13 0.385 0.210 0.336 25456
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25456
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25456
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25456
18 1 3 "Average Difference" HN 12 0.430 0.085 0.440 25456
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25456
20 1 4 "Average Difference" HA 13 0.401 0.212 0.354 25456
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25456
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25456
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25456
24 1 4 "Average Difference" HN 12 0.363 0.064 0.373 25456
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25456
26 1 5 "Average Difference" HA 13 0.366 0.211 0.312 25456
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25456
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25456
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25456
30 1 5 "Average Difference" HN 12 0.433 0.122 0.434 25456
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25456
32 1 6 "Average Difference" HA 13 0.390 0.227 0.330 25456
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25456
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25456
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25456
36 1 6 "Average Difference" HN 12 0.298 0.056 0.306 25456
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25456
38 1 7 "Average Difference" HA 13 0.393 0.225 0.336 25456
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25456
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25456
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25456
42 1 7 "Average Difference" HN 12 0.454 0.014 0.474 25456
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25456
44 1 8 "Average Difference" HA 13 0.396 0.191 0.361 25456
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25456
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25456
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25456
48 1 8 "Average Difference" HN 12 0.435 0.047 0.452 25456
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25456
50 1 9 "Average Difference" HA 13 0.407 0.239 0.343 25456
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25456
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25456
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25456
54 1 9 "Average Difference" HN 12 0.372 0.107 0.372 25456
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25456
56 1 10 "Average Difference" HA 13 0.393 0.213 0.344 25456
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25456
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25456
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25456
60 1 10 "Average Difference" HN 12 0.407 0.111 0.409 25456
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25456
62 1 11 "Average Difference" HA 13 0.401 0.222 0.347 25456
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25456
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25456
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25456
66 1 11 "Average Difference" HN 12 0.505 0.116 0.514 25456
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25456
68 1 12 "Average Difference" HA 13 0.390 0.204 0.346 25456
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25456
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25456
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25456
72 1 12 "Average Difference" HN 12 0.371 0.062 0.382 25456
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25456
74 1 13 "Average Difference" HA 13 0.354 0.163 0.328 25456
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25456
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25456
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25456
78 1 13 "Average Difference" HN 12 0.344 0.088 0.348 25456
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25456
80 1 14 "Average Difference" HA 13 0.369 0.223 0.306 25456
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25456
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25456
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25456
84 1 14 "Average Difference" HN 12 0.340 0.011 0.355 25456
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25456
86 1 15 "Average Difference" HA 13 0.348 0.169 0.316 25456
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25456
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25456
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25456
90 1 15 "Average Difference" HN 12 0.441 0.141 0.436 25456
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25456
92 1 16 "Average Difference" HA 13 0.361 0.163 0.336 25456
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25456
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25456
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25456
96 1 16 "Average Difference" HN 12 0.425 0.021 0.444 25456
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25456
98 1 17 "Average Difference" HA 13 0.393 0.211 0.345 25456
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25456
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25456
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25456
102 1 17 "Average Difference" HN 12 0.370 0.135 0.360 25456
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25456
104 1 18 "Average Difference" HA 13 0.377 0.197 0.335 25456
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25456
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25456
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25456
108 1 18 "Average Difference" HN 12 0.409 -0.035 0.426 25456
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25456
110 1 19 "Average Difference" HA 13 0.364 0.207 0.312 25456
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25456
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25456
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25456
114 1 19 "Average Difference" HN 12 0.334 0.041 0.346 25456
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25456
116 1 20 "Average Difference" HA 13 0.348 0.145 0.329 25456
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25456
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25456
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25456
120 1 20 "Average Difference" HN 12 0.274 0.063 0.278 25456
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 25456
_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 2 2 SER HA H 2 4.190 4.190 4.602 -0.412 25456
2 1 . 1 1 2 2 SER H H 2 7.920 7.920 8.764 -0.844 25456
3 1 . 1 1 3 3 GLY H H 3 8.190 8.190 8.192 -0.002 25456
4 1 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.492 -0.282 25456
5 1 . 1 1 4 4 LEU H H 4 7.880 7.880 8.023 -0.143 25456
6 1 . 1 1 5 5 SER HA H 5 4.350 4.350 4.448 -0.098 25456
7 1 . 1 1 5 5 SER H H 5 8.300 8.300 8.244 0.056 25456
8 1 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.710 -0.860 25456
9 1 . 1 1 6 6 PHE H H 6 8.360 8.360 7.833 0.527 25456
10 1 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.734 -0.654 25456
11 1 . 1 1 10 10 TYR H H 10 7.090 7.090 7.670 -0.580 25456
12 1 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.124 0.146 25456
13 1 . 1 1 14 14 TYR H H 14 8.120 8.120 8.362 -0.242 25456
14 1 . 1 1 15 15 THR HA H 15 4.210 4.210 4.151 0.060 25456
15 1 . 1 1 15 15 THR H H 15 7.820 7.820 7.904 -0.085 25456
16 1 . 1 1 16 16 MET HA H 16 3.860 3.860 4.380 -0.520 25456
17 1 . 1 1 16 16 MET H H 16 7.980 7.980 7.907 0.073 25456
18 1 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.721 0.139 25456
19 1 . 1 1 17 17 VAL H H 17 7.750 7.750 7.788 -0.038 25456
20 1 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.975 0.045 25456
21 1 . 1 1 18 18 LEU H H 18 7.740 7.740 7.615 0.125 25456
22 1 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.527 -0.007 25456
23 1 . 1 1 19 19 HIS H H 19 8.110 8.110 7.748 0.362 25456
stop_
save_