data_19180
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19180
_Entry.PDB_ID 2M7C
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 19180
_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 PRO HA H 2 4.006 4.006 4.103 -0.097 19180
2 1 1 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.600 -0.338 19180
3 1 1 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.490 -0.154 19180
4 1 1 . 1 1 5 5 SER HA H 5 4.189 4.189 4.052 0.137 19180
5 1 1 . 1 1 5 5 SER H H 5 8.229 8.229 8.582 -0.353 19180
6 1 1 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.315 0.159 19180
7 1 1 . 1 1 9 9 ALA H H 9 8.272 8.272 8.411 -0.139 19180
8 1 1 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.015 -0.084 19180
9 1 1 . 1 1 10 10 TYR H H 10 8.545 8.545 8.190 0.355 19180
10 1 1 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.073 0.052 19180
11 1 1 . 1 1 11 11 ALA H H 11 8.417 8.417 7.628 0.789 19180
12 1 1 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.076 -0.121 19180
13 1 1 . 1 1 12 12 GLN H H 12 8.164 8.164 7.674 0.490 19180
14 1 1 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.210 -0.090 19180
15 1 1 . 1 1 13 13 TRP H H 13 7.964 7.964 8.458 -0.494 19180
16 1 1 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.430 -0.185 19180
17 1 1 . 1 1 14 14 LEU H H 14 8.458 8.458 7.566 0.892 19180
18 1 1 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.026 -0.035 19180
19 1 1 . 1 1 15 15 ALA H H 15 7.924 7.924 7.566 0.358 19180
20 1 1 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.598 0.029 19180
21 1 1 . 1 1 19 19 TRP H H 19 8.767 8.767 7.844 0.923 19180
22 1 1 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.282 0.216 19180
23 1 1 . 1 1 20 20 ALA H H 20 7.851 7.851 7.879 -0.028 19180
24 1 2 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.294 -0.288 19180
25 1 2 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.637 -0.375 19180
26 1 2 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.494 -0.158 19180
27 1 2 . 1 1 5 5 SER HA H 5 4.189 4.189 4.000 0.189 19180
28 1 2 . 1 1 5 5 SER H H 5 8.229 8.229 8.577 -0.348 19180
29 1 2 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.330 0.144 19180
30 1 2 . 1 1 9 9 ALA H H 9 8.272 8.272 8.386 -0.114 19180
31 1 2 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.016 -0.085 19180
32 1 2 . 1 1 10 10 TYR H H 10 8.545 8.545 8.320 0.225 19180
33 1 2 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.050 0.075 19180
34 1 2 . 1 1 11 11 ALA H H 11 8.417 8.417 7.678 0.739 19180
35 1 2 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.069 -0.114 19180
36 1 2 . 1 1 12 12 GLN H H 12 8.164 8.164 7.665 0.499 19180
37 1 2 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.180 -0.060 19180
38 1 2 . 1 1 13 13 TRP H H 13 7.964 7.964 8.449 -0.485 19180
39 1 2 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.490 -0.245 19180
40 1 2 . 1 1 14 14 LEU H H 14 8.458 8.458 7.601 0.857 19180
41 1 2 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.007 -0.016 19180
42 1 2 . 1 1 15 15 ALA H H 15 7.924 7.924 7.566 0.358 19180
43 1 2 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.567 0.060 19180
44 1 2 . 1 1 19 19 TRP H H 19 8.767 8.767 7.671 1.096 19180
45 1 2 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.608 -0.110 19180
46 1 2 . 1 1 20 20 ALA H H 20 7.851 7.851 7.722 0.129 19180
47 1 3 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.185 -0.179 19180
48 1 3 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.670 -0.408 19180
49 1 3 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.491 -0.155 19180
50 1 3 . 1 1 5 5 SER HA H 5 4.189 4.189 4.039 0.150 19180
51 1 3 . 1 1 5 5 SER H H 5 8.229 8.229 8.540 -0.311 19180
52 1 3 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.342 0.132 19180
53 1 3 . 1 1 9 9 ALA H H 9 8.272 8.272 8.397 -0.125 19180
54 1 3 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.019 -0.088 19180
55 1 3 . 1 1 10 10 TYR H H 10 8.545 8.545 8.302 0.243 19180
56 1 3 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.088 0.037 19180
57 1 3 . 1 1 11 11 ALA H H 11 8.417 8.417 7.724 0.693 19180
58 1 3 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.046 -0.091 19180
59 1 3 . 1 1 12 12 GLN H H 12 8.164 8.164 7.600 0.564 19180
60 1 3 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.199 -0.079 19180
61 1 3 . 1 1 13 13 TRP H H 13 7.964 7.964 8.437 -0.473 19180
62 1 3 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.466 -0.221 19180
63 1 3 . 1 1 14 14 LEU H H 14 8.458 8.458 7.582 0.876 19180
64 1 3 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.036 -0.045 19180
65 1 3 . 1 1 15 15 ALA H H 15 7.924 7.924 7.583 0.341 19180
66 1 3 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.506 0.121 19180
67 1 3 . 1 1 19 19 TRP H H 19 8.767 8.767 7.726 1.041 19180
68 1 3 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.672 -0.174 19180
69 1 3 . 1 1 20 20 ALA H H 20 7.851 7.851 7.889 -0.038 19180
70 1 4 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.318 -0.312 19180
71 1 4 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.635 -0.373 19180
72 1 4 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.418 -0.082 19180
73 1 4 . 1 1 5 5 SER HA H 5 4.189 4.189 4.111 0.078 19180
74 1 4 . 1 1 5 5 SER H H 5 8.229 8.229 8.212 0.017 19180
75 1 4 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.341 0.133 19180
76 1 4 . 1 1 9 9 ALA H H 9 8.272 8.272 8.409 -0.137 19180
77 1 4 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.012 -0.081 19180
78 1 4 . 1 1 10 10 TYR H H 10 8.545 8.545 8.206 0.339 19180
79 1 4 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.158 -0.033 19180
80 1 4 . 1 1 11 11 ALA H H 11 8.417 8.417 7.632 0.785 19180
81 1 4 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.082 -0.127 19180
82 1 4 . 1 1 12 12 GLN H H 12 8.164 8.164 7.615 0.549 19180
83 1 4 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.232 -0.112 19180
84 1 4 . 1 1 13 13 TRP H H 13 7.964 7.964 8.505 -0.541 19180
85 1 4 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.568 -0.323 19180
86 1 4 . 1 1 14 14 LEU H H 14 8.458 8.458 7.497 0.961 19180
87 1 4 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.034 -0.043 19180
88 1 4 . 1 1 15 15 ALA H H 15 7.924 7.924 7.607 0.317 19180
89 1 4 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.596 0.031 19180
90 1 4 . 1 1 19 19 TRP H H 19 8.767 8.767 7.782 0.985 19180
91 1 4 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.543 -0.045 19180
92 1 4 . 1 1 20 20 ALA H H 20 7.851 7.851 7.731 0.120 19180
93 1 5 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.416 -0.410 19180
94 1 5 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.624 -0.362 19180
95 1 5 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.431 -0.095 19180
96 1 5 . 1 1 5 5 SER HA H 5 4.189 4.189 4.114 0.075 19180
97 1 5 . 1 1 5 5 SER H H 5 8.229 8.229 8.119 0.110 19180
98 1 5 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.229 0.245 19180
99 1 5 . 1 1 9 9 ALA H H 9 8.272 8.272 8.398 -0.126 19180
100 1 5 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.017 -0.086 19180
101 1 5 . 1 1 10 10 TYR H H 10 8.545 8.545 8.095 0.450 19180
102 1 5 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.119 0.006 19180
103 1 5 . 1 1 11 11 ALA H H 11 8.417 8.417 7.662 0.755 19180
104 1 5 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.088 -0.133 19180
105 1 5 . 1 1 12 12 GLN H H 12 8.164 8.164 7.685 0.479 19180
106 1 5 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.180 -0.060 19180
107 1 5 . 1 1 13 13 TRP H H 13 7.964 7.964 8.408 -0.444 19180
108 1 5 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.535 -0.290 19180
109 1 5 . 1 1 14 14 LEU H H 14 8.458 8.458 7.485 0.973 19180
110 1 5 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.026 -0.035 19180
111 1 5 . 1 1 15 15 ALA H H 15 7.924 7.924 7.573 0.351 19180
112 1 5 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.610 0.017 19180
113 1 5 . 1 1 19 19 TRP H H 19 8.767 8.767 7.713 1.054 19180
114 1 5 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.660 -0.162 19180
115 1 5 . 1 1 20 20 ALA H H 20 7.851 7.851 7.798 0.053 19180
116 1 6 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.543 -0.537 19180
117 1 6 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.631 -0.369 19180
118 1 6 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.446 -0.110 19180
119 1 6 . 1 1 5 5 SER HA H 5 4.189 4.189 4.126 0.063 19180
120 1 6 . 1 1 5 5 SER H H 5 8.229 8.229 8.308 -0.079 19180
121 1 6 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.331 0.143 19180
122 1 6 . 1 1 9 9 ALA H H 9 8.272 8.272 8.411 -0.139 19180
123 1 6 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.011 -0.080 19180
124 1 6 . 1 1 10 10 TYR H H 10 8.545 8.545 8.185 0.360 19180
125 1 6 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.123 0.002 19180
126 1 6 . 1 1 11 11 ALA H H 11 8.417 8.417 7.666 0.751 19180
127 1 6 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.086 -0.131 19180
128 1 6 . 1 1 12 12 GLN H H 12 8.164 8.164 7.689 0.474 19180
129 1 6 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.176 -0.056 19180
130 1 6 . 1 1 13 13 TRP H H 13 7.964 7.964 8.438 -0.474 19180
131 1 6 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.542 -0.297 19180
132 1 6 . 1 1 14 14 LEU H H 14 8.458 8.458 7.490 0.968 19180
133 1 6 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.040 -0.049 19180
134 1 6 . 1 1 15 15 ALA H H 15 7.924 7.924 7.597 0.327 19180
135 1 6 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.607 0.020 19180
136 1 6 . 1 1 19 19 TRP H H 19 8.767 8.767 7.676 1.091 19180
137 1 6 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.675 -0.177 19180
138 1 6 . 1 1 20 20 ALA H H 20 7.851 7.851 7.781 0.070 19180
139 1 7 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.289 -0.283 19180
140 1 7 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.482 -0.220 19180
141 1 7 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.494 -0.158 19180
142 1 7 . 1 1 5 5 SER HA H 5 4.189 4.189 4.071 0.118 19180
143 1 7 . 1 1 5 5 SER H H 5 8.229 8.229 8.263 -0.034 19180
144 1 7 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.292 0.182 19180
145 1 7 . 1 1 9 9 ALA H H 9 8.272 8.272 8.562 -0.290 19180
146 1 7 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.028 -0.097 19180
147 1 7 . 1 1 10 10 TYR H H 10 8.545 8.545 7.828 0.717 19180
148 1 7 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.103 0.022 19180
149 1 7 . 1 1 11 11 ALA H H 11 8.417 8.417 7.556 0.861 19180
150 1 7 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.054 -0.099 19180
151 1 7 . 1 1 12 12 GLN H H 12 8.164 8.164 7.600 0.564 19180
152 1 7 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.239 -0.119 19180
153 1 7 . 1 1 13 13 TRP H H 13 7.964 7.964 8.581 -0.617 19180
154 1 7 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.543 -0.298 19180
155 1 7 . 1 1 14 14 LEU H H 14 8.458 8.458 7.512 0.946 19180
156 1 7 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.043 -0.052 19180
157 1 7 . 1 1 15 15 ALA H H 15 7.924 7.924 7.592 0.332 19180
158 1 7 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.611 0.016 19180
159 1 7 . 1 1 19 19 TRP H H 19 8.767 8.767 7.852 0.915 19180
160 1 7 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.573 -0.075 19180
161 1 7 . 1 1 20 20 ALA H H 20 7.851 7.851 7.708 0.143 19180
162 1 8 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.464 -0.458 19180
163 1 8 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.689 -0.427 19180
164 1 8 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.492 -0.156 19180
165 1 8 . 1 1 5 5 SER HA H 5 4.189 4.189 4.027 0.162 19180
166 1 8 . 1 1 5 5 SER H H 5 8.229 8.229 8.544 -0.315 19180
167 1 8 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.318 0.156 19180
168 1 8 . 1 1 9 9 ALA H H 9 8.272 8.272 8.400 -0.128 19180
169 1 8 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.022 -0.091 19180
170 1 8 . 1 1 10 10 TYR H H 10 8.545 8.545 8.276 0.269 19180
171 1 8 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.069 0.056 19180
172 1 8 . 1 1 11 11 ALA H H 11 8.417 8.417 7.601 0.816 19180
173 1 8 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.061 -0.106 19180
174 1 8 . 1 1 12 12 GLN H H 12 8.164 8.164 7.590 0.574 19180
175 1 8 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.191 -0.071 19180
176 1 8 . 1 1 13 13 TRP H H 13 7.964 7.964 8.587 -0.623 19180
177 1 8 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.475 -0.230 19180
178 1 8 . 1 1 14 14 LEU H H 14 8.458 8.458 7.580 0.878 19180
179 1 8 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.031 -0.040 19180
180 1 8 . 1 1 15 15 ALA H H 15 7.924 7.924 7.596 0.328 19180
181 1 8 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.606 0.021 19180
182 1 8 . 1 1 19 19 TRP H H 19 8.767 8.767 7.692 1.075 19180
183 1 8 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.669 -0.171 19180
184 1 8 . 1 1 20 20 ALA H H 20 7.851 7.851 7.702 0.149 19180
185 1 9 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.244 -0.238 19180
186 1 9 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.694 -0.432 19180
187 1 9 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.436 -0.100 19180
188 1 9 . 1 1 5 5 SER HA H 5 4.189 4.189 4.054 0.135 19180
189 1 9 . 1 1 5 5 SER H H 5 8.229 8.229 8.266 -0.037 19180
190 1 9 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.313 0.161 19180
191 1 9 . 1 1 9 9 ALA H H 9 8.272 8.272 8.563 -0.291 19180
192 1 9 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.025 -0.094 19180
193 1 9 . 1 1 10 10 TYR H H 10 8.545 8.545 7.898 0.647 19180
194 1 9 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.117 0.008 19180
195 1 9 . 1 1 11 11 ALA H H 11 8.417 8.417 7.630 0.787 19180
196 1 9 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.081 -0.126 19180
197 1 9 . 1 1 12 12 GLN H H 12 8.164 8.164 7.686 0.478 19180
198 1 9 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.226 -0.106 19180
199 1 9 . 1 1 13 13 TRP H H 13 7.964 7.964 8.513 -0.549 19180
200 1 9 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.579 -0.334 19180
201 1 9 . 1 1 14 14 LEU H H 14 8.458 8.458 7.401 1.057 19180
202 1 9 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.023 -0.032 19180
203 1 9 . 1 1 15 15 ALA H H 15 7.924 7.924 7.596 0.328 19180
204 1 9 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.644 -0.017 19180
205 1 9 . 1 1 19 19 TRP H H 19 8.767 8.767 7.980 0.787 19180
206 1 9 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.256 0.242 19180
207 1 9 . 1 1 20 20 ALA H H 20 7.851 7.851 7.890 -0.039 19180
208 1 10 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.078 -0.072 19180
209 1 10 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.640 -0.378 19180
210 1 10 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.438 -0.102 19180
211 1 10 . 1 1 5 5 SER HA H 5 4.189 4.189 4.043 0.146 19180
212 1 10 . 1 1 5 5 SER H H 5 8.229 8.229 8.550 -0.321 19180
213 1 10 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.315 0.159 19180
214 1 10 . 1 1 9 9 ALA H H 9 8.272 8.272 8.400 -0.128 19180
215 1 10 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.017 -0.086 19180
216 1 10 . 1 1 10 10 TYR H H 10 8.545 8.545 8.248 0.297 19180
217 1 10 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.065 0.060 19180
218 1 10 . 1 1 11 11 ALA H H 11 8.417 8.417 7.658 0.759 19180
219 1 10 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.072 -0.117 19180
220 1 10 . 1 1 12 12 GLN H H 12 8.164 8.164 7.675 0.489 19180
221 1 10 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.205 -0.085 19180
222 1 10 . 1 1 13 13 TRP H H 13 7.964 7.964 8.438 -0.474 19180
223 1 10 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.434 -0.189 19180
224 1 10 . 1 1 14 14 LEU H H 14 8.458 8.458 7.584 0.874 19180
225 1 10 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.026 -0.035 19180
226 1 10 . 1 1 15 15 ALA H H 15 7.924 7.924 7.590 0.334 19180
227 1 10 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.555 0.072 19180
228 1 10 . 1 1 19 19 TRP H H 19 8.767 8.767 7.740 1.027 19180
229 1 10 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.535 -0.037 19180
230 1 10 . 1 1 20 20 ALA H H 20 7.851 7.851 7.843 0.008 19180
231 1 11 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.061 -0.055 19180
232 1 11 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.687 -0.425 19180
233 1 11 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.451 -0.115 19180
234 1 11 . 1 1 5 5 SER HA H 5 4.189 4.189 4.119 0.070 19180
235 1 11 . 1 1 5 5 SER H H 5 8.229 8.229 8.322 -0.093 19180
236 1 11 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.335 0.139 19180
237 1 11 . 1 1 9 9 ALA H H 9 8.272 8.272 8.413 -0.141 19180
238 1 11 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.029 -0.098 19180
239 1 11 . 1 1 10 10 TYR H H 10 8.545 8.545 8.191 0.354 19180
240 1 11 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.133 -0.008 19180
241 1 11 . 1 1 11 11 ALA H H 11 8.417 8.417 7.683 0.734 19180
242 1 11 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.085 -0.130 19180
243 1 11 . 1 1 12 12 GLN H H 12 8.164 8.164 7.691 0.473 19180
244 1 11 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.173 -0.053 19180
245 1 11 . 1 1 13 13 TRP H H 13 7.964 7.964 8.494 -0.530 19180
246 1 11 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.562 -0.317 19180
247 1 11 . 1 1 14 14 LEU H H 14 8.458 8.458 7.382 1.076 19180
248 1 11 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.041 -0.050 19180
249 1 11 . 1 1 15 15 ALA H H 15 7.924 7.924 7.600 0.324 19180
250 1 11 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.499 0.128 19180
251 1 11 . 1 1 19 19 TRP H H 19 8.767 8.767 7.664 1.103 19180
252 1 11 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.676 -0.178 19180
253 1 11 . 1 1 20 20 ALA H H 20 7.851 7.851 7.831 0.020 19180
254 1 12 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.235 -0.229 19180
255 1 12 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.554 -0.292 19180
256 1 12 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.439 -0.103 19180
257 1 12 . 1 1 5 5 SER HA H 5 4.189 4.189 4.069 0.120 19180
258 1 12 . 1 1 5 5 SER H H 5 8.229 8.229 8.223 0.006 19180
259 1 12 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.307 0.167 19180
260 1 12 . 1 1 9 9 ALA H H 9 8.272 8.272 8.482 -0.210 19180
261 1 12 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.031 -0.100 19180
262 1 12 . 1 1 10 10 TYR H H 10 8.545 8.545 7.919 0.626 19180
263 1 12 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.131 -0.006 19180
264 1 12 . 1 1 11 11 ALA H H 11 8.417 8.417 7.600 0.817 19180
265 1 12 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.073 -0.118 19180
266 1 12 . 1 1 12 12 GLN H H 12 8.164 8.164 7.608 0.556 19180
267 1 12 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.204 -0.084 19180
268 1 12 . 1 1 13 13 TRP H H 13 7.964 7.964 8.587 -0.623 19180
269 1 12 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.547 -0.302 19180
270 1 12 . 1 1 14 14 LEU H H 14 8.458 8.458 7.496 0.962 19180
271 1 12 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.041 -0.050 19180
272 1 12 . 1 1 15 15 ALA H H 15 7.924 7.924 7.596 0.328 19180
273 1 12 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.625 0.002 19180
274 1 12 . 1 1 19 19 TRP H H 19 8.767 8.767 7.780 0.987 19180
275 1 12 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.561 -0.063 19180
276 1 12 . 1 1 20 20 ALA H H 20 7.851 7.851 7.749 0.102 19180
277 1 13 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.420 -0.414 19180
278 1 13 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.599 -0.337 19180
279 1 13 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.417 -0.081 19180
280 1 13 . 1 1 5 5 SER HA H 5 4.189 4.189 4.105 0.084 19180
281 1 13 . 1 1 5 5 SER H H 5 8.229 8.229 8.109 0.120 19180
282 1 13 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.221 0.253 19180
283 1 13 . 1 1 9 9 ALA H H 9 8.272 8.272 8.379 -0.107 19180
284 1 13 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.017 -0.086 19180
285 1 13 . 1 1 10 10 TYR H H 10 8.545 8.545 8.114 0.431 19180
286 1 13 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.104 0.021 19180
287 1 13 . 1 1 11 11 ALA H H 11 8.417 8.417 7.666 0.751 19180
288 1 13 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.079 -0.124 19180
289 1 13 . 1 1 12 12 GLN H H 12 8.164 8.164 7.693 0.471 19180
290 1 13 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.191 -0.071 19180
291 1 13 . 1 1 13 13 TRP H H 13 7.964 7.964 8.438 -0.474 19180
292 1 13 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.539 -0.294 19180
293 1 13 . 1 1 14 14 LEU H H 14 8.458 8.458 7.607 0.851 19180
294 1 13 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.016 -0.025 19180
295 1 13 . 1 1 15 15 ALA H H 15 7.924 7.924 7.623 0.301 19180
296 1 13 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.556 0.071 19180
297 1 13 . 1 1 19 19 TRP H H 19 8.767 8.767 7.706 1.061 19180
298 1 13 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.653 -0.155 19180
299 1 13 . 1 1 20 20 ALA H H 20 7.851 7.851 7.727 0.124 19180
300 1 14 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.457 -0.451 19180
301 1 14 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.698 -0.436 19180
302 1 14 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.430 -0.094 19180
303 1 14 . 1 1 5 5 SER HA H 5 4.189 4.189 4.007 0.182 19180
304 1 14 . 1 1 5 5 SER H H 5 8.229 8.229 8.612 -0.383 19180
305 1 14 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.248 0.226 19180
306 1 14 . 1 1 9 9 ALA H H 9 8.272 8.272 8.555 -0.283 19180
307 1 14 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.017 -0.086 19180
308 1 14 . 1 1 10 10 TYR H H 10 8.545 8.545 8.320 0.225 19180
309 1 14 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.082 0.043 19180
310 1 14 . 1 1 11 11 ALA H H 11 8.417 8.417 7.683 0.734 19180
311 1 14 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.058 -0.103 19180
312 1 14 . 1 1 12 12 GLN H H 12 8.164 8.164 7.595 0.569 19180
313 1 14 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.224 -0.104 19180
314 1 14 . 1 1 13 13 TRP H H 13 7.964 7.964 8.527 -0.563 19180
315 1 14 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.480 -0.235 19180
316 1 14 . 1 1 14 14 LEU H H 14 8.458 8.458 7.581 0.877 19180
317 1 14 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.023 -0.032 19180
318 1 14 . 1 1 15 15 ALA H H 15 7.924 7.924 7.633 0.291 19180
319 1 14 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.586 0.041 19180
320 1 14 . 1 1 19 19 TRP H H 19 8.767 8.767 7.742 1.025 19180
321 1 14 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.602 -0.104 19180
322 1 14 . 1 1 20 20 ALA H H 20 7.851 7.851 7.720 0.131 19180
323 1 15 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.118 -0.112 19180
324 1 15 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.536 -0.274 19180
325 1 15 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.466 -0.130 19180
326 1 15 . 1 1 5 5 SER HA H 5 4.189 4.189 3.977 0.212 19180
327 1 15 . 1 1 5 5 SER H H 5 8.229 8.229 8.648 -0.419 19180
328 1 15 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.288 0.186 19180
329 1 15 . 1 1 9 9 ALA H H 9 8.272 8.272 8.561 -0.289 19180
330 1 15 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.036 -0.105 19180
331 1 15 . 1 1 10 10 TYR H H 10 8.545 8.545 7.970 0.575 19180
332 1 15 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.022 0.103 19180
333 1 15 . 1 1 11 11 ALA H H 11 8.417 8.417 7.546 0.871 19180
334 1 15 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.035 -0.080 19180
335 1 15 . 1 1 12 12 GLN H H 12 8.164 8.164 7.576 0.588 19180
336 1 15 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.214 -0.094 19180
337 1 15 . 1 1 13 13 TRP H H 13 7.964 7.964 8.430 -0.466 19180
338 1 15 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.460 -0.215 19180
339 1 15 . 1 1 14 14 LEU H H 14 8.458 8.458 7.615 0.843 19180
340 1 15 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.014 -0.023 19180
341 1 15 . 1 1 15 15 ALA H H 15 7.924 7.924 7.574 0.350 19180
342 1 15 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.546 0.081 19180
343 1 15 . 1 1 19 19 TRP H H 19 8.767 8.767 7.704 1.063 19180
344 1 15 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.601 -0.103 19180
345 1 15 . 1 1 20 20 ALA H H 20 7.851 7.851 7.732 0.119 19180
346 1 16 . 1 1 2 2 PRO HA H 2 4.006 4.006 3.889 0.117 19180
347 1 16 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.610 -0.348 19180
348 1 16 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.449 -0.113 19180
349 1 16 . 1 1 5 5 SER HA H 5 4.189 4.189 4.102 0.087 19180
350 1 16 . 1 1 5 5 SER H H 5 8.229 8.229 8.238 -0.009 19180
351 1 16 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.334 0.140 19180
352 1 16 . 1 1 9 9 ALA H H 9 8.272 8.272 8.406 -0.134 19180
353 1 16 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.014 -0.083 19180
354 1 16 . 1 1 10 10 TYR H H 10 8.545 8.545 8.201 0.344 19180
355 1 16 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.115 0.010 19180
356 1 16 . 1 1 11 11 ALA H H 11 8.417 8.417 7.680 0.737 19180
357 1 16 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.083 -0.128 19180
358 1 16 . 1 1 12 12 GLN H H 12 8.164 8.164 7.681 0.483 19180
359 1 16 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.203 -0.083 19180
360 1 16 . 1 1 13 13 TRP H H 13 7.964 7.964 8.385 -0.421 19180
361 1 16 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.515 -0.270 19180
362 1 16 . 1 1 14 14 LEU H H 14 8.458 8.458 7.503 0.955 19180
363 1 16 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.023 -0.032 19180
364 1 16 . 1 1 15 15 ALA H H 15 7.924 7.924 7.576 0.348 19180
365 1 16 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.520 0.107 19180
366 1 16 . 1 1 19 19 TRP H H 19 8.767 8.767 7.694 1.073 19180
367 1 16 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.582 -0.084 19180
368 1 16 . 1 1 20 20 ALA H H 20 7.851 7.851 7.791 0.060 19180
369 1 17 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.237 -0.231 19180
370 1 17 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.571 -0.309 19180
371 1 17 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.459 -0.123 19180
372 1 17 . 1 1 5 5 SER HA H 5 4.189 4.189 3.990 0.199 19180
373 1 17 . 1 1 5 5 SER H H 5 8.229 8.229 8.631 -0.402 19180
374 1 17 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.302 0.172 19180
375 1 17 . 1 1 9 9 ALA H H 9 8.272 8.272 8.561 -0.289 19180
376 1 17 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.030 -0.099 19180
377 1 17 . 1 1 10 10 TYR H H 10 8.545 8.545 7.965 0.580 19180
378 1 17 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.028 0.097 19180
379 1 17 . 1 1 11 11 ALA H H 11 8.417 8.417 7.618 0.799 19180
380 1 17 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.066 -0.111 19180
381 1 17 . 1 1 12 12 GLN H H 12 8.164 8.164 7.678 0.486 19180
382 1 17 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.211 -0.091 19180
383 1 17 . 1 1 13 13 TRP H H 13 7.964 7.964 8.381 -0.417 19180
384 1 17 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.434 -0.189 19180
385 1 17 . 1 1 14 14 LEU H H 14 8.458 8.458 7.596 0.862 19180
386 1 17 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.039 -0.048 19180
387 1 17 . 1 1 15 15 ALA H H 15 7.924 7.924 7.601 0.323 19180
388 1 17 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.582 0.045 19180
389 1 17 . 1 1 19 19 TRP H H 19 8.767 8.767 7.741 1.026 19180
390 1 17 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.620 -0.122 19180
391 1 17 . 1 1 20 20 ALA H H 20 7.851 7.851 7.703 0.148 19180
392 1 18 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.078 -0.072 19180
393 1 18 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.603 -0.342 19180
394 1 18 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.417 -0.081 19180
395 1 18 . 1 1 5 5 SER HA H 5 4.189 4.189 4.110 0.079 19180
396 1 18 . 1 1 5 5 SER H H 5 8.229 8.229 8.111 0.118 19180
397 1 18 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.234 0.240 19180
398 1 18 . 1 1 9 9 ALA H H 9 8.272 8.272 8.410 -0.138 19180
399 1 18 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.015 -0.084 19180
400 1 18 . 1 1 10 10 TYR H H 10 8.545 8.545 8.100 0.445 19180
401 1 18 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.141 -0.016 19180
402 1 18 . 1 1 11 11 ALA H H 11 8.417 8.417 7.635 0.782 19180
403 1 18 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.069 -0.114 19180
404 1 18 . 1 1 12 12 GLN H H 12 8.164 8.164 7.610 0.554 19180
405 1 18 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.234 -0.114 19180
406 1 18 . 1 1 13 13 TRP H H 13 7.964 7.964 8.481 -0.517 19180
407 1 18 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.546 -0.301 19180
408 1 18 . 1 1 14 14 LEU H H 14 8.458 8.458 7.585 0.873 19180
409 1 18 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.024 -0.033 19180
410 1 18 . 1 1 15 15 ALA H H 15 7.924 7.924 7.614 0.310 19180
411 1 18 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.589 0.038 19180
412 1 18 . 1 1 19 19 TRP H H 19 8.767 8.767 7.822 0.945 19180
413 1 18 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.571 -0.073 19180
414 1 18 . 1 1 20 20 ALA H H 20 7.851 7.851 7.766 0.085 19180
415 1 19 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.209 -0.203 19180
416 1 19 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.563 -0.301 19180
417 1 19 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.413 -0.077 19180
418 1 19 . 1 1 5 5 SER HA H 5 4.189 4.189 4.108 0.081 19180
419 1 19 . 1 1 5 5 SER H H 5 8.229 8.229 8.269 -0.040 19180
420 1 19 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.324 0.150 19180
421 1 19 . 1 1 9 9 ALA H H 9 8.272 8.272 8.415 -0.143 19180
422 1 19 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.009 -0.078 19180
423 1 19 . 1 1 10 10 TYR H H 10 8.545 8.545 8.167 0.378 19180
424 1 19 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.120 0.005 19180
425 1 19 . 1 1 11 11 ALA H H 11 8.417 8.417 7.630 0.787 19180
426 1 19 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.088 -0.133 19180
427 1 19 . 1 1 12 12 GLN H H 12 8.164 8.164 7.688 0.476 19180
428 1 19 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.192 -0.072 19180
429 1 19 . 1 1 13 13 TRP H H 13 7.964 7.964 8.456 -0.492 19180
430 1 19 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.551 -0.306 19180
431 1 19 . 1 1 14 14 LEU H H 14 8.458 8.458 7.496 0.962 19180
432 1 19 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.042 -0.051 19180
433 1 19 . 1 1 15 15 ALA H H 15 7.924 7.924 7.605 0.319 19180
434 1 19 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.629 -0.002 19180
435 1 19 . 1 1 19 19 TRP H H 19 8.767 8.767 7.788 0.979 19180
436 1 19 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.556 -0.058 19180
437 1 19 . 1 1 20 20 ALA H H 20 7.851 7.851 7.748 0.103 19180
438 1 20 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.437 -0.431 19180
439 1 20 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.705 -0.443 19180
440 1 20 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.486 -0.150 19180
441 1 20 . 1 1 5 5 SER HA H 5 4.189 4.189 4.043 0.146 19180
442 1 20 . 1 1 5 5 SER H H 5 8.229 8.229 8.545 -0.316 19180
443 1 20 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.322 0.152 19180
444 1 20 . 1 1 9 9 ALA H H 9 8.272 8.272 8.407 -0.135 19180
445 1 20 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.016 -0.085 19180
446 1 20 . 1 1 10 10 TYR H H 10 8.545 8.545 8.222 0.323 19180
447 1 20 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.067 0.058 19180
448 1 20 . 1 1 11 11 ALA H H 11 8.417 8.417 7.653 0.764 19180
449 1 20 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.075 -0.120 19180
450 1 20 . 1 1 12 12 GLN H H 12 8.164 8.164 7.675 0.489 19180
451 1 20 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.175 -0.055 19180
452 1 20 . 1 1 13 13 TRP H H 13 7.964 7.964 8.476 -0.512 19180
453 1 20 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.478 -0.233 19180
454 1 20 . 1 1 14 14 LEU H H 14 8.458 8.458 7.578 0.880 19180
455 1 20 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.026 -0.035 19180
456 1 20 . 1 1 15 15 ALA H H 15 7.924 7.924 7.569 0.355 19180
457 1 20 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.614 0.013 19180
458 1 20 . 1 1 19 19 TRP H H 19 8.767 8.767 7.642 1.125 19180
459 1 20 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.654 -0.156 19180
460 1 20 . 1 1 20 20 ALA H H 20 7.851 7.851 7.808 0.043 19180
461 1 21 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.111 -0.105 19180
462 1 21 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.576 -0.314 19180
463 1 21 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.466 -0.130 19180
464 1 21 . 1 1 5 5 SER HA H 5 4.189 4.189 3.986 0.203 19180
465 1 21 . 1 1 5 5 SER H H 5 8.229 8.229 8.640 -0.411 19180
466 1 21 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.284 0.190 19180
467 1 21 . 1 1 9 9 ALA H H 9 8.272 8.272 8.559 -0.287 19180
468 1 21 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.035 -0.104 19180
469 1 21 . 1 1 10 10 TYR H H 10 8.545 8.545 7.965 0.580 19180
470 1 21 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.019 0.106 19180
471 1 21 . 1 1 11 11 ALA H H 11 8.417 8.417 7.634 0.783 19180
472 1 21 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.063 -0.108 19180
473 1 21 . 1 1 12 12 GLN H H 12 8.164 8.164 7.665 0.499 19180
474 1 21 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.192 -0.072 19180
475 1 21 . 1 1 13 13 TRP H H 13 7.964 7.964 8.332 -0.368 19180
476 1 21 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.431 -0.186 19180
477 1 21 . 1 1 14 14 LEU H H 14 8.458 8.458 7.593 0.865 19180
478 1 21 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.015 -0.024 19180
479 1 21 . 1 1 15 15 ALA H H 15 7.924 7.924 7.568 0.356 19180
480 1 21 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.546 0.081 19180
481 1 21 . 1 1 19 19 TRP H H 19 8.767 8.767 7.700 1.067 19180
482 1 21 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.595 -0.097 19180
483 1 21 . 1 1 20 20 ALA H H 20 7.851 7.851 7.792 0.059 19180
484 1 22 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.502 -0.496 19180
485 1 22 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.779 -0.517 19180
486 1 22 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.498 -0.162 19180
487 1 22 . 1 1 5 5 SER HA H 5 4.189 4.189 4.059 0.130 19180
488 1 22 . 1 1 5 5 SER H H 5 8.229 8.229 8.601 -0.372 19180
489 1 22 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.133 0.341 19180
490 1 22 . 1 1 9 9 ALA H H 9 8.272 8.272 8.450 -0.178 19180
491 1 22 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.024 -0.093 19180
492 1 22 . 1 1 10 10 TYR H H 10 8.545 8.545 8.259 0.286 19180
493 1 22 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.090 0.035 19180
494 1 22 . 1 1 11 11 ALA H H 11 8.417 8.417 7.677 0.740 19180
495 1 22 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.082 -0.127 19180
496 1 22 . 1 1 12 12 GLN H H 12 8.164 8.164 7.686 0.478 19180
497 1 22 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.182 -0.062 19180
498 1 22 . 1 1 13 13 TRP H H 13 7.964 7.964 8.445 -0.481 19180
499 1 22 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.445 -0.200 19180
500 1 22 . 1 1 14 14 LEU H H 14 8.458 8.458 7.554 0.904 19180
501 1 22 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.034 -0.043 19180
502 1 22 . 1 1 15 15 ALA H H 15 7.924 7.924 7.711 0.213 19180
503 1 22 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.618 0.009 19180
504 1 22 . 1 1 19 19 TRP H H 19 8.767 8.767 7.683 1.085 19180
505 1 22 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.691 -0.193 19180
506 1 22 . 1 1 20 20 ALA H H 20 7.851 7.851 7.728 0.123 19180
507 1 23 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.420 -0.414 19180
508 1 23 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.650 -0.388 19180
509 1 23 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.492 -0.156 19180
510 1 23 . 1 1 5 5 SER HA H 5 4.189 4.189 4.017 0.172 19180
511 1 23 . 1 1 5 5 SER H H 5 8.229 8.229 8.574 -0.345 19180
512 1 23 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.317 0.157 19180
513 1 23 . 1 1 9 9 ALA H H 9 8.272 8.272 8.391 -0.119 19180
514 1 23 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.018 -0.087 19180
515 1 23 . 1 1 10 10 TYR H H 10 8.545 8.545 8.341 0.204 19180
516 1 23 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.073 0.052 19180
517 1 23 . 1 1 11 11 ALA H H 11 8.417 8.417 7.623 0.794 19180
518 1 23 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.042 -0.087 19180
519 1 23 . 1 1 12 12 GLN H H 12 8.164 8.164 7.585 0.579 19180
520 1 23 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.228 -0.108 19180
521 1 23 . 1 1 13 13 TRP H H 13 7.964 7.964 8.489 -0.525 19180
522 1 23 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.449 -0.204 19180
523 1 23 . 1 1 14 14 LEU H H 14 8.458 8.458 7.574 0.884 19180
524 1 23 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.019 -0.028 19180
525 1 23 . 1 1 15 15 ALA H H 15 7.924 7.924 7.590 0.334 19180
526 1 23 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.536 0.091 19180
527 1 23 . 1 1 19 19 TRP H H 19 8.767 8.767 7.657 1.110 19180
528 1 23 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.598 -0.100 19180
529 1 23 . 1 1 20 20 ALA H H 20 7.851 7.851 7.744 0.107 19180
530 1 24 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.035 -0.029 19180
531 1 24 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.557 -0.295 19180
532 1 24 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.476 -0.140 19180
533 1 24 . 1 1 5 5 SER HA H 5 4.189 4.189 3.990 0.199 19180
534 1 24 . 1 1 5 5 SER H H 5 8.229 8.229 8.659 -0.430 19180
535 1 24 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.277 0.197 19180
536 1 24 . 1 1 9 9 ALA H H 9 8.272 8.272 8.557 -0.285 19180
537 1 24 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.046 -0.116 19180
538 1 24 . 1 1 10 10 TYR H H 10 8.545 8.545 7.902 0.643 19180
539 1 24 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.065 0.060 19180
540 1 24 . 1 1 11 11 ALA H H 11 8.417 8.417 7.572 0.845 19180
541 1 24 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.073 -0.118 19180
542 1 24 . 1 1 12 12 GLN H H 12 8.164 8.164 7.597 0.567 19180
543 1 24 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.203 -0.083 19180
544 1 24 . 1 1 13 13 TRP H H 13 7.964 7.964 8.464 -0.500 19180
545 1 24 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.431 -0.186 19180
546 1 24 . 1 1 14 14 LEU H H 14 8.458 8.458 7.576 0.882 19180
547 1 24 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.054 -0.063 19180
548 1 24 . 1 1 15 15 ALA H H 15 7.924 7.924 7.557 0.367 19180
549 1 24 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.567 0.060 19180
550 1 24 . 1 1 19 19 TRP H H 19 8.767 8.767 7.704 1.063 19180
551 1 24 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.613 -0.115 19180
552 1 24 . 1 1 20 20 ALA H H 20 7.851 7.851 7.771 0.080 19180
553 1 25 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.092 -0.086 19180
554 1 25 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.507 -0.245 19180
555 1 25 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.486 -0.150 19180
556 1 25 . 1 1 5 5 SER HA H 5 4.189 4.189 4.112 0.077 19180
557 1 25 . 1 1 5 5 SER H H 5 8.229 8.229 8.249 -0.020 19180
558 1 25 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.303 0.171 19180
559 1 25 . 1 1 9 9 ALA H H 9 8.272 8.272 8.483 -0.211 19180
560 1 25 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.030 -0.099 19180
561 1 25 . 1 1 10 10 TYR H H 10 8.545 8.545 7.836 0.709 19180
562 1 25 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.095 0.030 19180
563 1 25 . 1 1 11 11 ALA H H 11 8.417 8.417 7.633 0.784 19180
564 1 25 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.080 -0.125 19180
565 1 25 . 1 1 12 12 GLN H H 12 8.164 8.164 7.689 0.475 19180
566 1 25 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.225 -0.105 19180
567 1 25 . 1 1 13 13 TRP H H 13 7.964 7.964 8.488 -0.524 19180
568 1 25 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.534 -0.289 19180
569 1 25 . 1 1 14 14 LEU H H 14 8.458 8.458 7.514 0.944 19180
570 1 25 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.041 -0.050 19180
571 1 25 . 1 1 15 15 ALA H H 15 7.924 7.924 7.597 0.327 19180
572 1 25 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.622 0.005 19180
573 1 25 . 1 1 19 19 TRP H H 19 8.767 8.767 7.868 0.899 19180
574 1 25 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.569 -0.071 19180
575 1 25 . 1 1 20 20 ALA H H 20 7.851 7.851 7.750 0.101 19180
576 1 26 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.359 -0.353 19180
577 1 26 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.599 -0.337 19180
578 1 26 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.434 -0.098 19180
579 1 26 . 1 1 5 5 SER HA H 5 4.189 4.189 3.997 0.192 19180
580 1 26 . 1 1 5 5 SER H H 5 8.229 8.229 8.751 -0.522 19180
581 1 26 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.281 0.193 19180
582 1 26 . 1 1 9 9 ALA H H 9 8.272 8.272 8.558 -0.286 19180
583 1 26 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.031 -0.100 19180
584 1 26 . 1 1 10 10 TYR H H 10 8.545 8.545 7.965 0.580 19180
585 1 26 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.005 0.120 19180
586 1 26 . 1 1 11 11 ALA H H 11 8.417 8.417 7.539 0.878 19180
587 1 26 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.066 -0.111 19180
588 1 26 . 1 1 12 12 GLN H H 12 8.164 8.164 7.661 0.503 19180
589 1 26 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.158 -0.038 19180
590 1 26 . 1 1 13 13 TRP H H 13 7.964 7.964 8.282 -0.318 19180
591 1 26 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.461 -0.216 19180
592 1 26 . 1 1 14 14 LEU H H 14 8.458 8.458 7.600 0.858 19180
593 1 26 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.024 -0.033 19180
594 1 26 . 1 1 15 15 ALA H H 15 7.924 7.924 7.567 0.357 19180
595 1 26 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.581 0.046 19180
596 1 26 . 1 1 19 19 TRP H H 19 8.767 8.767 7.624 1.143 19180
597 1 26 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.568 -0.070 19180
598 1 26 . 1 1 20 20 ALA H H 20 7.851 7.851 7.742 0.109 19180
599 1 27 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.271 -0.265 19180
600 1 27 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.631 -0.369 19180
601 1 27 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.433 -0.097 19180
602 1 27 . 1 1 5 5 SER HA H 5 4.189 4.189 4.009 0.180 19180
603 1 27 . 1 1 5 5 SER H H 5 8.229 8.229 8.740 -0.511 19180
604 1 27 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.295 0.179 19180
605 1 27 . 1 1 9 9 ALA H H 9 8.272 8.272 8.560 -0.288 19180
606 1 27 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.029 -0.098 19180
607 1 27 . 1 1 10 10 TYR H H 10 8.545 8.545 7.971 0.574 19180
608 1 27 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.038 0.087 19180
609 1 27 . 1 1 11 11 ALA H H 11 8.417 8.417 7.623 0.794 19180
610 1 27 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.088 -0.133 19180
611 1 27 . 1 1 12 12 GLN H H 12 8.164 8.164 7.660 0.503 19180
612 1 27 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.188 -0.068 19180
613 1 27 . 1 1 13 13 TRP H H 13 7.964 7.964 8.424 -0.460 19180
614 1 27 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.435 -0.190 19180
615 1 27 . 1 1 14 14 LEU H H 14 8.458 8.458 7.578 0.880 19180
616 1 27 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.020 -0.029 19180
617 1 27 . 1 1 15 15 ALA H H 15 7.924 7.924 7.580 0.344 19180
618 1 27 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.561 0.066 19180
619 1 27 . 1 1 19 19 TRP H H 19 8.767 8.767 7.691 1.076 19180
620 1 27 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.546 -0.048 19180
621 1 27 . 1 1 20 20 ALA H H 20 7.851 7.851 7.827 0.024 19180
622 1 28 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.094 -0.088 19180
623 1 28 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.539 -0.277 19180
624 1 28 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.421 -0.085 19180
625 1 28 . 1 1 5 5 SER HA H 5 4.189 4.189 4.012 0.177 19180
626 1 28 . 1 1 5 5 SER H H 5 8.229 8.229 8.737 -0.508 19180
627 1 28 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.297 0.177 19180
628 1 28 . 1 1 9 9 ALA H H 9 8.272 8.272 8.560 -0.288 19180
629 1 28 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.036 -0.105 19180
630 1 28 . 1 1 10 10 TYR H H 10 8.545 8.545 7.971 0.574 19180
631 1 28 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.053 0.072 19180
632 1 28 . 1 1 11 11 ALA H H 11 8.417 8.417 7.611 0.806 19180
633 1 28 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.045 -0.090 19180
634 1 28 . 1 1 12 12 GLN H H 12 8.164 8.164 7.578 0.586 19180
635 1 28 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.215 -0.095 19180
636 1 28 . 1 1 13 13 TRP H H 13 7.964 7.964 8.481 -0.517 19180
637 1 28 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.432 -0.187 19180
638 1 28 . 1 1 14 14 LEU H H 14 8.458 8.458 7.592 0.866 19180
639 1 28 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.021 -0.030 19180
640 1 28 . 1 1 15 15 ALA H H 15 7.924 7.924 7.548 0.376 19180
641 1 28 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.599 0.028 19180
642 1 28 . 1 1 19 19 TRP H H 19 8.767 8.767 7.742 1.025 19180
643 1 28 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.609 -0.111 19180
644 1 28 . 1 1 20 20 ALA H H 20 7.851 7.851 7.701 0.150 19180
645 1 29 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.225 -0.219 19180
646 1 29 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.683 -0.421 19180
647 1 29 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.436 -0.100 19180
648 1 29 . 1 1 5 5 SER HA H 5 4.189 4.189 4.053 0.136 19180
649 1 29 . 1 1 5 5 SER H H 5 8.229 8.229 8.528 -0.299 19180
650 1 29 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.237 0.237 19180
651 1 29 . 1 1 9 9 ALA H H 9 8.272 8.272 8.398 -0.126 19180
652 1 29 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.022 -0.091 19180
653 1 29 . 1 1 10 10 TYR H H 10 8.545 8.545 8.204 0.341 19180
654 1 29 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.062 0.063 19180
655 1 29 . 1 1 11 11 ALA H H 11 8.417 8.417 7.714 0.703 19180
656 1 29 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.073 -0.118 19180
657 1 29 . 1 1 12 12 GLN H H 12 8.164 8.164 7.679 0.485 19180
658 1 29 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.197 -0.077 19180
659 1 29 . 1 1 13 13 TRP H H 13 7.964 7.964 8.402 -0.438 19180
660 1 29 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.429 -0.184 19180
661 1 29 . 1 1 14 14 LEU H H 14 8.458 8.458 7.586 0.872 19180
662 1 29 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.023 -0.032 19180
663 1 29 . 1 1 15 15 ALA H H 15 7.924 7.924 7.593 0.331 19180
664 1 29 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.549 0.078 19180
665 1 29 . 1 1 19 19 TRP H H 19 8.767 8.767 7.617 1.150 19180
666 1 29 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.598 -0.100 19180
667 1 29 . 1 1 20 20 ALA H H 20 7.851 7.851 7.768 0.083 19180
668 1 30 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.027 -0.021 19180
669 1 30 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.522 -0.260 19180
670 1 30 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.433 -0.097 19180
671 1 30 . 1 1 5 5 SER HA H 5 4.189 4.189 4.121 0.068 19180
672 1 30 . 1 1 5 5 SER H H 5 8.229 8.229 8.274 -0.045 19180
673 1 30 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.324 0.150 19180
674 1 30 . 1 1 9 9 ALA H H 9 8.272 8.272 8.412 -0.140 19180
675 1 30 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.026 -0.095 19180
676 1 30 . 1 1 10 10 TYR H H 10 8.545 8.545 8.149 0.396 19180
677 1 30 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.111 0.014 19180
678 1 30 . 1 1 11 11 ALA H H 11 8.417 8.417 7.671 0.746 19180
679 1 30 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.081 -0.126 19180
680 1 30 . 1 1 12 12 GLN H H 12 8.164 8.164 7.685 0.479 19180
681 1 30 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.195 -0.075 19180
682 1 30 . 1 1 13 13 TRP H H 13 7.964 7.964 8.463 -0.499 19180
683 1 30 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.491 -0.246 19180
684 1 30 . 1 1 14 14 LEU H H 14 8.458 8.458 7.474 0.984 19180
685 1 30 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.077 -0.086 19180
686 1 30 . 1 1 15 15 ALA H H 15 7.924 7.924 7.495 0.429 19180
687 1 30 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.593 0.034 19180
688 1 30 . 1 1 19 19 TRP H H 19 8.767 8.767 7.857 0.910 19180
689 1 30 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.511 -0.013 19180
690 1 30 . 1 1 20 20 ALA H H 20 7.851 7.851 7.958 -0.107 19180
691 1 31 . 1 1 2 2 PRO HA H 2 4.006 4.006 3.927 0.079 19180
692 1 31 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.572 -0.310 19180
693 1 31 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.432 -0.096 19180
694 1 31 . 1 1 5 5 SER HA H 5 4.189 4.189 4.117 0.072 19180
695 1 31 . 1 1 5 5 SER H H 5 8.229 8.229 8.187 0.042 19180
696 1 31 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.318 0.156 19180
697 1 31 . 1 1 9 9 ALA H H 9 8.272 8.272 8.411 -0.139 19180
698 1 31 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.006 -0.075 19180
699 1 31 . 1 1 10 10 TYR H H 10 8.545 8.545 8.160 0.385 19180
700 1 31 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.111 0.014 19180
701 1 31 . 1 1 11 11 ALA H H 11 8.417 8.417 7.627 0.790 19180
702 1 31 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.097 -0.142 19180
703 1 31 . 1 1 12 12 GLN H H 12 8.164 8.164 7.735 0.429 19180
704 1 31 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.216 -0.096 19180
705 1 31 . 1 1 13 13 TRP H H 13 7.964 7.964 8.451 -0.487 19180
706 1 31 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.546 -0.301 19180
707 1 31 . 1 1 14 14 LEU H H 14 8.458 8.458 7.593 0.865 19180
708 1 31 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.068 -0.077 19180
709 1 31 . 1 1 15 15 ALA H H 15 7.924 7.924 7.634 0.290 19180
710 1 31 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.666 -0.039 19180
711 1 31 . 1 1 19 19 TRP H H 19 8.767 8.767 7.866 0.901 19180
712 1 31 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.339 0.159 19180
713 1 31 . 1 1 20 20 ALA H H 20 7.851 7.851 7.687 0.164 19180
714 1 32 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.141 -0.135 19180
715 1 32 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.529 -0.267 19180
716 1 32 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.455 -0.119 19180
717 1 32 . 1 1 5 5 SER HA H 5 4.189 4.189 4.035 0.154 19180
718 1 32 . 1 1 5 5 SER H H 5 8.229 8.229 8.371 -0.142 19180
719 1 32 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.304 0.170 19180
720 1 32 . 1 1 9 9 ALA H H 9 8.272 8.272 8.558 -0.286 19180
721 1 32 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.023 -0.092 19180
722 1 32 . 1 1 10 10 TYR H H 10 8.545 8.545 7.902 0.643 19180
723 1 32 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.105 0.020 19180
724 1 32 . 1 1 11 11 ALA H H 11 8.417 8.417 7.622 0.795 19180
725 1 32 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.081 -0.126 19180
726 1 32 . 1 1 12 12 GLN H H 12 8.164 8.164 7.677 0.487 19180
727 1 32 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.203 -0.083 19180
728 1 32 . 1 1 13 13 TRP H H 13 7.964 7.964 8.478 -0.514 19180
729 1 32 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.503 -0.258 19180
730 1 32 . 1 1 14 14 LEU H H 14 8.458 8.458 7.507 0.951 19180
731 1 32 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.022 -0.031 19180
732 1 32 . 1 1 15 15 ALA H H 15 7.924 7.924 7.566 0.358 19180
733 1 32 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.557 0.070 19180
734 1 32 . 1 1 19 19 TRP H H 19 8.767 8.767 7.687 1.080 19180
735 1 32 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.587 -0.089 19180
736 1 32 . 1 1 20 20 ALA H H 20 7.851 7.851 7.739 0.112 19180
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 19180
2 1 1 "Average Difference" HA 13 0.154 0.039 0.155 19180
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19180
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19180
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19180
6 1 1 "Average Difference" HN 10 0.562 -0.279 0.514 19180
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19180
8 1 2 "Average Difference" HA 13 0.178 0.076 0.167 19180
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19180
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19180
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19180
12 1 2 "Average Difference" HN 10 0.574 -0.296 0.519 19180
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19180
14 1 3 "Average Difference" HA 13 0.171 0.077 0.159 19180
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19180
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19180
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19180
18 1 3 "Average Difference" HN 10 0.562 -0.281 0.513 19180
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19180
20 1 4 "Average Difference" HA 13 0.178 0.099 0.154 19180
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19180
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19180
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19180
24 1 4 "Average Difference" HN 10 0.579 -0.339 0.494 19180
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19180
26 1 5 "Average Difference" HA 13 0.199 0.099 0.179 19180
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19180
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19180
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19180
30 1 5 "Average Difference" HN 10 0.584 -0.366 0.480 19180
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19180
32 1 6 "Average Difference" HA 13 0.217 0.121 0.187 19180
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19180
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19180
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19180
36 1 6 "Average Difference" HN 10 0.584 -0.335 0.504 19180
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19180
38 1 7 "Average Difference" HA 13 0.160 0.082 0.143 19180
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19180
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19180
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19180
42 1 7 "Average Difference" HN 10 0.625 -0.354 0.543 19180
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19180
44 1 8 "Average Difference" HA 13 0.211 0.104 0.191 19180
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19180
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19180
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19180
48 1 8 "Average Difference" HN 10 0.602 -0.302 0.549 19180
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19180
50 1 9 "Average Difference" HA 13 0.197 0.072 0.191 19180
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19180
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19180
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19180
54 1 9 "Average Difference" HN 10 0.591 -0.317 0.527 19180
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19180
56 1 10 "Average Difference" HA 13 0.147 0.051 0.143 19180
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19180
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19180
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19180
60 1 10 "Average Difference" HN 10 0.564 -0.287 0.512 19180
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19180
62 1 11 "Average Difference" HA 13 0.176 0.084 0.161 19180
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19180
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19180
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19180
66 1 11 "Average Difference" HN 10 0.606 -0.332 0.535 19180
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19180
68 1 12 "Average Difference" HA 13 0.157 0.081 0.139 19180
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19180
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19180
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19180
72 1 12 "Average Difference" HN 10 0.618 -0.355 0.533 19180
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19180
74 1 13 "Average Difference" HA 13 0.197 0.089 0.183 19180
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19180
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19180
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19180
78 1 13 "Average Difference" HN 10 0.564 -0.353 0.463 19180
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19180
80 1 14 "Average Difference" HA 13 0.212 0.089 0.201 19180
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19180
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19180
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19180
84 1 14 "Average Difference" HN 10 0.581 -0.262 0.547 19180
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19180
86 1 15 "Average Difference" HA 13 0.148 0.043 0.148 19180
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19180
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19180
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19180
90 1 15 "Average Difference" HN 10 0.624 -0.324 0.562 19180
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19180
92 1 16 "Average Difference" HA 13 0.151 0.052 0.148 19180
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19180
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19180
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19180
96 1 16 "Average Difference" HN 10 0.573 -0.344 0.483 19180
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19180
98 1 17 "Average Difference" HA 13 0.159 0.062 0.152 19180
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19180
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19180
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19180
102 1 17 "Average Difference" HN 10 0.596 -0.312 0.535 19180
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19180
104 1 18 "Average Difference" HA 13 0.158 0.067 0.149 19180
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19180
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19180
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19180
108 1 18 "Average Difference" HN 10 0.563 -0.346 0.469 19180
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19180
110 1 19 "Average Difference" HA 13 0.151 0.080 0.133 19180
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19180
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19180
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19180
114 1 19 "Average Difference" HN 10 0.570 -0.333 0.488 19180
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19180
116 1 20 "Average Difference" HA 13 0.207 0.103 0.187 19180
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19180
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19180
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19180
120 1 20 "Average Difference" HN 10 0.590 -0.302 0.534 19180
121 1 21 "Average Difference" N 0 0.000 0.000 0.000 19180
122 1 21 "Average Difference" HA 13 0.150 0.043 0.150 19180
123 1 21 "Average Difference" C 0 0.000 0.000 0.000 19180
124 1 21 "Average Difference" CA 0 0.000 0.000 0.000 19180
125 1 21 "Average Difference" CB 0 0.000 0.000 0.000 19180
126 1 21 "Average Difference" HN 10 0.600 -0.314 0.539 19180
127 1 22 "Average Difference" N 0 0.000 0.000 0.000 19180
128 1 22 "Average Difference" HA 13 0.245 0.106 0.230 19180
129 1 22 "Average Difference" C 0 0.000 0.000 0.000 19180
130 1 22 "Average Difference" CA 0 0.000 0.000 0.000 19180
131 1 22 "Average Difference" CB 0 0.000 0.000 0.000 19180
132 1 22 "Average Difference" HN 10 0.576 -0.280 0.530 19180
133 1 23 "Average Difference" N 0 0.000 0.000 0.000 19180
134 1 23 "Average Difference" HA 13 0.194 0.085 0.182 19180
135 1 23 "Average Difference" C 0 0.000 0.000 0.000 19180
136 1 23 "Average Difference" CA 0 0.000 0.000 0.000 19180
137 1 23 "Average Difference" CB 0 0.000 0.000 0.000 19180
138 1 23 "Average Difference" HN 10 0.596 -0.302 0.541 19180
139 1 24 "Average Difference" N 0 0.000 0.000 0.000 19180
140 1 24 "Average Difference" HA 13 0.147 0.048 0.144 19180
141 1 24 "Average Difference" C 0 0.000 0.000 0.000 19180
142 1 24 "Average Difference" CA 0 0.000 0.000 0.000 19180
143 1 24 "Average Difference" CB 0 0.000 0.000 0.000 19180
144 1 24 "Average Difference" HN 10 0.634 -0.323 0.574 19180
145 1 25 "Average Difference" N 0 0.000 0.000 0.000 19180
146 1 25 "Average Difference" HA 13 0.140 0.072 0.124 19180
147 1 25 "Average Difference" C 0 0.000 0.000 0.000 19180
148 1 25 "Average Difference" CA 0 0.000 0.000 0.000 19180
149 1 25 "Average Difference" CB 0 0.000 0.000 0.000 19180
150 1 25 "Average Difference" HN 10 0.590 -0.348 0.502 19180
151 1 26 "Average Difference" N 0 0.000 0.000 0.000 19180
152 1 26 "Average Difference" HA 13 0.179 0.062 0.175 19180
153 1 26 "Average Difference" C 0 0.000 0.000 0.000 19180
154 1 26 "Average Difference" CA 0 0.000 0.000 0.000 19180
155 1 26 "Average Difference" CB 0 0.000 0.000 0.000 19180
156 1 26 "Average Difference" HN 10 0.632 -0.330 0.568 19180
157 1 27 "Average Difference" N 0 0.000 0.000 0.000 19180
158 1 27 "Average Difference" HA 13 0.167 0.060 0.162 19180
159 1 27 "Average Difference" C 0 0.000 0.000 0.000 19180
160 1 27 "Average Difference" CA 0 0.000 0.000 0.000 19180
161 1 27 "Average Difference" CB 0 0.000 0.000 0.000 19180
162 1 27 "Average Difference" HN 10 0.618 -0.294 0.573 19180
163 1 28 "Average Difference" N 0 0.000 0.000 0.000 19180
164 1 28 "Average Difference" HA 13 0.135 0.047 0.132 19180
165 1 28 "Average Difference" C 0 0.000 0.000 0.000 19180
166 1 28 "Average Difference" CA 0 0.000 0.000 0.000 19180
167 1 28 "Average Difference" CB 0 0.000 0.000 0.000 19180
168 1 28 "Average Difference" HN 10 0.624 -0.307 0.573 19180
169 1 29 "Average Difference" N 0 0.000 0.000 0.000 19180
170 1 29 "Average Difference" HA 13 0.174 0.064 0.168 19180
171 1 29 "Average Difference" C 0 0.000 0.000 0.000 19180
172 1 29 "Average Difference" CA 0 0.000 0.000 0.000 19180
173 1 29 "Average Difference" CB 0 0.000 0.000 0.000 19180
174 1 29 "Average Difference" HN 10 0.578 -0.310 0.514 19180
175 1 30 "Average Difference" N 0 0.000 0.000 0.000 19180
176 1 30 "Average Difference" HA 13 0.125 0.058 0.116 19180
177 1 30 "Average Difference" C 0 0.000 0.000 0.000 19180
178 1 30 "Average Difference" CA 0 0.000 0.000 0.000 19180
179 1 30 "Average Difference" CB 0 0.000 0.000 0.000 19180
180 1 30 "Average Difference" HN 10 0.566 -0.315 0.496 19180
181 1 31 "Average Difference" N 0 0.000 0.000 0.000 19180
182 1 31 "Average Difference" HA 13 0.152 0.050 0.149 19180
183 1 31 "Average Difference" C 0 0.000 0.000 0.000 19180
184 1 31 "Average Difference" CA 0 0.000 0.000 0.000 19180
185 1 31 "Average Difference" CB 0 0.000 0.000 0.000 19180
186 1 31 "Average Difference" HN 10 0.537 -0.324 0.452 19180
187 1 32 "Average Difference" N 0 0.000 0.000 0.000 19180
188 1 32 "Average Difference" HA 13 0.144 0.061 0.136 19180
189 1 32 "Average Difference" C 0 0.000 0.000 0.000 19180
190 1 32 "Average Difference" CA 0 0.000 0.000 0.000 19180
191 1 32 "Average Difference" CB 0 0.000 0.000 0.000 19180
192 1 32 "Average Difference" HN 10 0.621 -0.348 0.542 19180
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 19180
_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 PRO HA H 2 4.006 4.006 4.227 -0.221 19180
2 1 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.612 -0.350 19180
3 1 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.454 -0.118 19180
4 1 . 1 1 5 5 SER HA H 5 4.189 4.189 4.055 0.134 19180
5 1 . 1 1 5 5 SER H H 5 8.229 8.229 8.437 -0.208 19180
6 1 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.294 0.180 19180
7 1 . 1 1 9 9 ALA H H 9 8.272 8.272 8.463 -0.191 19180
8 1 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.023 -0.092 19180
9 1 . 1 1 10 10 TYR H H 10 8.545 8.545 8.104 0.441 19180
10 1 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.085 0.040 19180
11 1 . 1 1 11 11 ALA H H 11 8.417 8.417 7.637 0.780 19180
12 1 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.072 -0.117 19180
13 1 . 1 1 12 12 GLN H H 12 8.164 8.164 7.652 0.512 19180
14 1 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.202 -0.082 19180
15 1 . 1 1 13 13 TRP H H 13 7.964 7.964 8.458 -0.494 19180
16 1 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.493 -0.248 19180
17 1 . 1 1 14 14 LEU H H 14 8.458 8.458 7.546 0.912 19180
18 1 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.031 -0.040 19180
19 1 . 1 1 15 15 ALA H H 15 7.924 7.924 7.589 0.335 19180
20 1 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.583 0.044 19180
21 1 . 1 1 19 19 TRP H H 19 8.767 8.767 7.739 1.028 19180
22 1 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.574 -0.076 19180
23 1 . 1 1 20 20 ALA H H 20 7.851 7.851 7.773 0.078 19180
stop_
save_