data_19230
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19230
_Entry.PDB_ID 2M86
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 19230
_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 GLY N N 2 110.844 110.844 112.230 -1.386 19230
2 1 1 . 1 1 2 2 GLY H H 2 8.891 8.891 8.887 0.004 19230
3 1 1 . 1 1 3 3 SER N N 3 115.464 115.464 119.737 -4.273 19230
4 1 1 . 1 1 3 3 SER HA H 3 4.235 4.235 4.667 -0.432 19230
5 1 1 . 1 1 3 3 SER H H 3 8.320 8.320 8.549 -0.229 19230
6 1 1 . 1 1 4 4 GLY N N 4 107.189 107.189 108.890 -1.701 19230
7 1 1 . 1 1 4 4 GLY H H 4 8.571 8.571 7.949 0.622 19230
8 1 1 . 1 1 5 5 ALA N N 5 122.629 122.629 122.189 0.440 19230
9 1 1 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.506 -0.921 19230
10 1 1 . 1 1 5 5 ALA H H 5 9.225 9.225 8.494 0.731 19230
11 1 1 . 1 1 6 6 SER N N 6 119.024 119.024 118.725 0.299 19230
12 1 1 . 1 1 6 6 SER HA H 6 4.127 4.127 4.368 -0.241 19230
13 1 1 . 1 1 6 6 SER H H 6 8.291 8.291 8.356 -0.065 19230
14 1 1 . 1 1 7 7 LYS N N 7 127.760 127.760 119.990 7.770 19230
15 1 1 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.516 -0.250 19230
16 1 1 . 1 1 7 7 LYS H H 7 8.321 8.321 8.318 0.003 19230
17 1 1 . 1 1 8 8 ALA N N 8 125.595 125.595 123.529 2.066 19230
18 1 1 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.508 -0.289 19230
19 1 1 . 1 1 8 8 ALA H H 8 8.200 8.200 7.640 0.560 19230
20 1 1 . 1 1 10 10 THR N N 10 111.647 111.647 115.569 -3.922 19230
21 1 1 . 1 1 10 10 THR HA H 10 4.080 4.080 4.539 -0.459 19230
22 1 1 . 1 1 10 10 THR H H 10 8.107 8.107 8.630 -0.523 19230
23 1 1 . 1 1 11 11 SER N N 11 115.520 115.520 116.519 -0.999 19230
24 1 1 . 1 1 11 11 SER HA H 11 4.157 4.157 4.846 -0.689 19230
25 1 1 . 1 1 11 11 SER H H 11 8.216 8.216 7.756 0.460 19230
26 1 1 . 1 1 12 12 PHE N N 12 123.128 123.128 123.597 -0.469 19230
27 1 1 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.120 -0.102 19230
28 1 1 . 1 1 12 12 PHE H H 12 8.877 8.877 8.774 0.103 19230
29 1 1 . 1 1 13 13 ALA N N 13 123.710 123.710 118.326 5.384 19230
30 1 1 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.445 -0.288 19230
31 1 1 . 1 1 13 13 ALA H H 13 8.068 8.068 8.547 -0.479 19230
32 1 1 . 1 1 14 14 GLU N N 14 122.703 122.703 120.313 2.390 19230
33 1 1 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.038 0.104 19230
34 1 1 . 1 1 14 14 GLU H H 14 7.934 7.934 7.926 0.008 19230
35 1 1 . 1 1 15 15 TYR N N 15 116.589 116.589 120.174 -3.585 19230
36 1 1 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.209 0.134 19230
37 1 1 . 1 1 15 15 TYR H H 15 7.394 7.394 8.179 -0.785 19230
38 1 1 . 1 1 16 16 TRP N N 16 118.490 118.490 118.867 -0.377 19230
39 1 1 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.328 -0.294 19230
40 1 1 . 1 1 16 16 TRP H H 16 7.996 7.996 8.390 -0.394 19230
41 1 1 . 1 1 17 17 ASN N N 17 110.763 110.763 119.247 -8.484 19230
42 1 1 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.390 -0.062 19230
43 1 1 . 1 1 17 17 ASN H H 17 8.470 8.470 7.692 0.778 19230
44 1 1 . 1 1 18 18 LEU N N 18 111.233 111.233 119.740 -8.507 19230
45 1 1 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.035 -0.264 19230
46 1 1 . 1 1 18 18 LEU H H 18 8.449 8.449 7.875 0.574 19230
47 1 1 . 1 1 19 19 LEU N N 19 113.116 113.116 119.011 -5.895 19230
48 1 1 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.023 -0.005 19230
49 1 1 . 1 1 19 19 LEU H H 19 7.456 7.456 7.634 -0.178 19230
50 1 1 . 1 1 20 20 SER N N 20 111.251 111.251 113.092 -1.841 19230
51 1 1 . 1 1 20 20 SER HA H 20 3.972 3.972 3.963 0.009 19230
52 1 1 . 1 1 20 20 SER H H 20 8.003 8.003 7.361 0.642 19230
53 1 1 . 1 1 21 21 ALA N N 21 123.375 123.375 125.520 -2.145 19230
54 1 1 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.167 -0.056 19230
55 1 1 . 1 1 21 21 ALA H H 21 7.442 7.442 7.689 -0.247 19230
56 1 1 . 1 1 22 22 GLY N N 22 106.566 106.566 111.030 -4.464 19230
57 1 1 . 1 1 22 22 GLY H H 22 7.879 7.879 8.567 -0.688 19230
58 1 1 . 1 1 23 23 GLY N N 23 107.532 107.532 109.817 -2.285 19230
59 1 1 . 1 1 23 23 GLY H H 23 8.033 8.033 7.768 0.265 19230
60 1 1 . 1 1 24 24 VAL N N 24 117.804 117.804 121.754 -3.950 19230
61 1 1 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.275 -0.288 19230
62 1 1 . 1 1 24 24 VAL H H 24 7.950 7.950 7.976 -0.026 19230
63 1 1 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.617 -0.197 19230
64 1 1 . 1 1 27 27 LYS N N 27 120.668 120.668 115.736 4.932 19230
65 1 1 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.771 0.325 19230
66 1 1 . 1 1 27 27 LYS H H 27 8.125 8.125 8.092 0.033 19230
67 1 1 . 1 1 28 28 ILE N N 28 121.619 121.619 117.776 3.843 19230
68 1 1 . 1 1 28 28 ILE HA H 28 4.204 4.204 3.975 0.229 19230
69 1 1 . 1 1 28 28 ILE H H 28 7.550 7.550 7.731 -0.181 19230
70 1 1 . 1 1 29 29 LEU N N 29 128.057 128.057 122.761 5.296 19230
71 1 1 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.406 -0.048 19230
72 1 1 . 1 1 29 29 LEU H H 29 8.593 8.593 8.191 0.402 19230
73 1 1 . 1 1 30 30 GLN N N 30 126.353 126.353 120.184 6.169 19230
74 1 1 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.336 0.022 19230
75 1 1 . 1 1 30 30 GLN H H 30 8.817 8.817 7.791 1.026 19230
76 1 1 . 1 1 31 31 ARG N N 31 127.641 127.641 125.784 1.857 19230
77 1 1 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.269 -0.003 19230
78 1 1 . 1 1 31 31 ARG H H 31 8.659 8.659 8.487 0.172 19230
79 1 1 . 1 1 33 33 ARG N N 33 117.135 117.135 118.307 -1.172 19230
80 1 1 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.465 0.110 19230
81 1 1 . 1 1 33 33 ARG H H 33 7.952 7.952 8.288 -0.336 19230
82 1 1 . 1 1 34 34 ARG N N 34 117.368 117.368 119.848 -2.480 19230
83 1 1 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.376 -0.110 19230
84 1 1 . 1 1 34 34 ARG H H 34 9.221 9.221 8.348 0.873 19230
85 1 1 . 1 1 35 35 ASP N N 35 124.250 124.250 116.352 7.898 19230
86 1 1 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.734 -0.175 19230
87 1 1 . 1 1 35 35 ASP H H 35 9.062 9.062 8.527 0.535 19230
88 1 1 . 1 1 36 36 SER N N 36 111.255 111.255 115.849 -4.594 19230
89 1 1 . 1 1 36 36 SER HA H 36 3.957 3.957 4.220 -0.263 19230
90 1 1 . 1 1 36 36 SER H H 36 8.009 8.009 8.241 -0.232 19230
91 1 1 . 1 1 37 37 ASP N N 37 120.379 120.379 120.047 0.332 19230
92 1 1 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.569 -0.196 19230
93 1 1 . 1 1 37 37 ASP H H 37 7.592 7.592 8.313 -0.721 19230
94 1 1 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.496 0.174 19230
95 1 1 . 1 1 40 40 GLY N N 40 107.269 107.269 112.431 -5.162 19230
96 1 1 . 1 1 40 40 GLY H H 40 8.425 8.425 8.814 -0.389 19230
97 1 1 . 1 1 41 41 ALA N N 41 125.640 125.640 123.780 1.860 19230
98 1 1 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.475 -0.256 19230
99 1 1 . 1 1 41 41 ALA H H 41 8.198 8.198 7.876 0.322 19230
100 1 1 . 1 1 43 43 ILE N N 43 114.105 114.105 114.584 -0.479 19230
101 1 1 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.334 -0.084 19230
102 1 1 . 1 1 43 43 ILE H H 43 8.879 8.879 7.859 1.020 19230
103 1 1 . 1 1 45 45 ARG N N 45 128.339 128.339 125.411 2.928 19230
104 1 1 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.173 -0.062 19230
105 1 1 . 1 1 45 45 ARG H H 45 7.988 7.988 8.035 -0.047 19230
106 1 1 . 1 1 46 46 GLY N N 46 108.569 108.569 110.546 -1.977 19230
107 1 1 . 1 1 46 46 GLY H H 46 8.891 8.891 9.020 -0.129 19230
108 1 1 . 1 1 47 47 ASN N N 47 115.750 115.750 118.170 -2.420 19230
109 1 1 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.735 -0.253 19230
110 1 1 . 1 1 47 47 ASN H H 47 7.648 7.648 7.934 -0.286 19230
111 1 1 . 1 1 48 48 GLY N N 48 107.292 107.292 105.582 1.710 19230
112 1 1 . 1 1 48 48 GLY H H 48 8.275 8.275 8.338 -0.063 19230
113 1 1 . 1 1 49 49 TYR N N 49 116.570 116.570 118.563 -1.993 19230
114 1 1 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.148 -0.094 19230
115 1 1 . 1 1 49 49 TYR H H 49 7.170 7.170 7.597 -0.427 19230
116 1 2 . 1 1 2 2 GLY N N 2 110.844 110.844 107.669 3.175 19230
117 1 2 . 1 1 2 2 GLY H H 2 8.891 8.891 8.702 0.189 19230
118 1 2 . 1 1 3 3 SER N N 3 115.464 115.464 114.698 0.766 19230
119 1 2 . 1 1 3 3 SER HA H 3 4.235 4.235 4.783 -0.548 19230
120 1 2 . 1 1 3 3 SER H H 3 8.320 8.320 8.247 0.073 19230
121 1 2 . 1 1 4 4 GLY N N 4 107.189 107.189 108.512 -1.323 19230
122 1 2 . 1 1 4 4 GLY H H 4 8.571 8.571 7.329 1.242 19230
123 1 2 . 1 1 5 5 ALA N N 5 122.629 122.629 121.948 0.681 19230
124 1 2 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.328 -0.743 19230
125 1 2 . 1 1 5 5 ALA H H 5 9.225 9.225 8.316 0.909 19230
126 1 2 . 1 1 6 6 SER N N 6 119.024 119.024 121.671 -2.647 19230
127 1 2 . 1 1 6 6 SER HA H 6 4.127 4.127 4.260 -0.133 19230
128 1 2 . 1 1 6 6 SER H H 6 8.291 8.291 8.690 -0.399 19230
129 1 2 . 1 1 7 7 LYS N N 7 127.760 127.760 118.211 9.549 19230
130 1 2 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.456 -0.190 19230
131 1 2 . 1 1 7 7 LYS H H 7 8.321 8.321 7.771 0.550 19230
132 1 2 . 1 1 8 8 ALA N N 8 125.595 125.595 123.299 2.296 19230
133 1 2 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.245 -0.026 19230
134 1 2 . 1 1 8 8 ALA H H 8 8.200 8.200 7.464 0.736 19230
135 1 2 . 1 1 10 10 THR N N 10 111.647 111.647 117.394 -5.747 19230
136 1 2 . 1 1 10 10 THR HA H 10 4.080 4.080 4.627 -0.547 19230
137 1 2 . 1 1 10 10 THR H H 10 8.107 8.107 8.164 -0.057 19230
138 1 2 . 1 1 11 11 SER N N 11 115.520 115.520 116.206 -0.686 19230
139 1 2 . 1 1 11 11 SER HA H 11 4.157 4.157 4.886 -0.729 19230
140 1 2 . 1 1 11 11 SER H H 11 8.216 8.216 7.787 0.429 19230
141 1 2 . 1 1 12 12 PHE N N 12 123.128 123.128 124.472 -1.344 19230
142 1 2 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.129 -0.111 19230
143 1 2 . 1 1 12 12 PHE H H 12 8.877 8.877 8.729 0.148 19230
144 1 2 . 1 1 13 13 ALA N N 13 123.710 123.710 119.523 4.187 19230
145 1 2 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.179 -0.022 19230
146 1 2 . 1 1 13 13 ALA H H 13 8.068 8.068 8.244 -0.176 19230
147 1 2 . 1 1 14 14 GLU N N 14 122.703 122.703 119.576 3.127 19230
148 1 2 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.139 0.003 19230
149 1 2 . 1 1 14 14 GLU H H 14 7.934 7.934 8.617 -0.683 19230
150 1 2 . 1 1 15 15 TYR N N 15 116.589 116.589 119.085 -2.496 19230
151 1 2 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.334 0.009 19230
152 1 2 . 1 1 15 15 TYR H H 15 7.394 7.394 7.833 -0.439 19230
153 1 2 . 1 1 16 16 TRP N N 16 118.490 118.490 120.937 -2.447 19230
154 1 2 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.215 -0.181 19230
155 1 2 . 1 1 16 16 TRP H H 16 7.996 7.996 7.482 0.514 19230
156 1 2 . 1 1 17 17 ASN N N 17 110.763 110.763 117.765 -7.002 19230
157 1 2 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.225 0.103 19230
158 1 2 . 1 1 17 17 ASN H H 17 8.470 8.470 8.227 0.243 19230
159 1 2 . 1 1 18 18 LEU N N 18 111.233 111.233 119.018 -7.785 19230
160 1 2 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.270 -0.499 19230
161 1 2 . 1 1 18 18 LEU H H 18 8.449 8.449 7.865 0.584 19230
162 1 2 . 1 1 19 19 LEU N N 19 113.116 113.116 122.033 -8.917 19230
163 1 2 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.568 -0.550 19230
164 1 2 . 1 1 19 19 LEU H H 19 7.456 7.456 7.668 -0.212 19230
165 1 2 . 1 1 20 20 SER N N 20 111.251 111.251 114.553 -3.302 19230
166 1 2 . 1 1 20 20 SER HA H 20 3.972 3.972 3.972 0.000 19230
167 1 2 . 1 1 20 20 SER H H 20 8.003 8.003 7.499 0.504 19230
168 1 2 . 1 1 21 21 ALA N N 21 123.375 123.375 126.594 -3.219 19230
169 1 2 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.378 -0.267 19230
170 1 2 . 1 1 21 21 ALA H H 21 7.442 7.442 7.874 -0.432 19230
171 1 2 . 1 1 22 22 GLY N N 22 106.566 106.566 110.894 -4.328 19230
172 1 2 . 1 1 22 22 GLY H H 22 7.879 7.879 8.259 -0.380 19230
173 1 2 . 1 1 23 23 GLY N N 23 107.532 107.532 109.686 -2.154 19230
174 1 2 . 1 1 23 23 GLY H H 23 8.033 8.033 7.632 0.401 19230
175 1 2 . 1 1 24 24 VAL N N 24 117.804 117.804 121.351 -3.547 19230
176 1 2 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.154 -0.167 19230
177 1 2 . 1 1 24 24 VAL H H 24 7.950 7.950 8.037 -0.087 19230
178 1 2 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.361 0.059 19230
179 1 2 . 1 1 27 27 LYS N N 27 120.668 120.668 114.693 5.975 19230
180 1 2 . 1 1 27 27 LYS HA H 27 4.096 4.096 4.052 0.044 19230
181 1 2 . 1 1 27 27 LYS H H 27 8.125 8.125 8.097 0.028 19230
182 1 2 . 1 1 28 28 ILE N N 28 121.619 121.619 117.321 4.298 19230
183 1 2 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.270 -0.066 19230
184 1 2 . 1 1 28 28 ILE H H 28 7.550 7.550 8.105 -0.555 19230
185 1 2 . 1 1 29 29 LEU N N 29 128.057 128.057 119.150 8.907 19230
186 1 2 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.317 0.041 19230
187 1 2 . 1 1 29 29 LEU H H 29 8.593 8.593 8.127 0.466 19230
188 1 2 . 1 1 30 30 GLN N N 30 126.353 126.353 120.777 5.576 19230
189 1 2 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.202 0.156 19230
190 1 2 . 1 1 30 30 GLN H H 30 8.817 8.817 7.874 0.943 19230
191 1 2 . 1 1 31 31 ARG N N 31 127.641 127.641 126.777 0.864 19230
192 1 2 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.698 -0.432 19230
193 1 2 . 1 1 31 31 ARG H H 31 8.659 8.659 8.480 0.179 19230
194 1 2 . 1 1 33 33 ARG N N 33 117.135 117.135 118.916 -1.781 19230
195 1 2 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.506 0.069 19230
196 1 2 . 1 1 33 33 ARG H H 33 7.952 7.952 8.235 -0.283 19230
197 1 2 . 1 1 34 34 ARG N N 34 117.368 117.368 118.408 -1.040 19230
198 1 2 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.500 -0.234 19230
199 1 2 . 1 1 34 34 ARG H H 34 9.221 9.221 8.467 0.754 19230
200 1 2 . 1 1 35 35 ASP N N 35 124.250 124.250 118.480 5.770 19230
201 1 2 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.650 -0.091 19230
202 1 2 . 1 1 35 35 ASP H H 35 9.062 9.062 8.604 0.458 19230
203 1 2 . 1 1 36 36 SER N N 36 111.255 111.255 114.735 -3.480 19230
204 1 2 . 1 1 36 36 SER HA H 36 3.957 3.957 4.310 -0.353 19230
205 1 2 . 1 1 36 36 SER H H 36 8.009 8.009 8.445 -0.436 19230
206 1 2 . 1 1 37 37 ASP N N 37 120.379 120.379 119.263 1.116 19230
207 1 2 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.760 -0.386 19230
208 1 2 . 1 1 37 37 ASP H H 37 7.592 7.592 7.749 -0.157 19230
209 1 2 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.257 0.413 19230
210 1 2 . 1 1 40 40 GLY N N 40 107.269 107.269 113.513 -6.244 19230
211 1 2 . 1 1 40 40 GLY H H 40 8.425 8.425 8.665 -0.240 19230
212 1 2 . 1 1 41 41 ALA N N 41 125.640 125.640 122.465 3.175 19230
213 1 2 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.432 -0.213 19230
214 1 2 . 1 1 41 41 ALA H H 41 8.198 8.198 7.727 0.471 19230
215 1 2 . 1 1 43 43 ILE N N 43 114.105 114.105 118.852 -4.747 19230
216 1 2 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.373 -0.123 19230
217 1 2 . 1 1 43 43 ILE H H 43 8.879 8.879 7.631 1.248 19230
218 1 2 . 1 1 45 45 ARG N N 45 128.339 128.339 127.447 0.892 19230
219 1 2 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.168 -0.057 19230
220 1 2 . 1 1 45 45 ARG H H 45 7.988 7.988 8.145 -0.157 19230
221 1 2 . 1 1 46 46 GLY N N 46 108.569 108.569 112.848 -4.279 19230
222 1 2 . 1 1 46 46 GLY H H 46 8.891 8.891 9.099 -0.208 19230
223 1 2 . 1 1 47 47 ASN N N 47 115.750 115.750 118.928 -3.178 19230
224 1 2 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.520 -0.038 19230
225 1 2 . 1 1 47 47 ASN H H 47 7.648 7.648 8.018 -0.369 19230
226 1 2 . 1 1 48 48 GLY N N 48 107.292 107.292 102.005 5.287 19230
227 1 2 . 1 1 48 48 GLY H H 48 8.275 8.275 7.937 0.338 19230
228 1 2 . 1 1 49 49 TYR N N 49 116.570 116.570 116.143 0.427 19230
229 1 2 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.169 -0.115 19230
230 1 2 . 1 1 49 49 TYR H H 49 7.170 7.170 7.464 -0.294 19230
231 1 3 . 1 1 2 2 GLY N N 2 110.844 110.844 112.735 -1.891 19230
232 1 3 . 1 1 2 2 GLY H H 2 8.891 8.891 8.727 0.164 19230
233 1 3 . 1 1 3 3 SER N N 3 115.464 115.464 117.802 -2.338 19230
234 1 3 . 1 1 3 3 SER HA H 3 4.235 4.235 4.628 -0.393 19230
235 1 3 . 1 1 3 3 SER H H 3 8.320 8.320 7.790 0.530 19230
236 1 3 . 1 1 4 4 GLY N N 4 107.189 107.189 107.627 -0.438 19230
237 1 3 . 1 1 4 4 GLY H H 4 8.571 8.571 7.707 0.864 19230
238 1 3 . 1 1 5 5 ALA N N 5 122.629 122.629 122.189 0.440 19230
239 1 3 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.225 -0.640 19230
240 1 3 . 1 1 5 5 ALA H H 5 9.225 9.225 8.528 0.697 19230
241 1 3 . 1 1 6 6 SER N N 6 119.024 119.024 118.558 0.466 19230
242 1 3 . 1 1 6 6 SER HA H 6 4.127 4.127 4.005 0.122 19230
243 1 3 . 1 1 6 6 SER H H 6 8.291 8.291 8.404 -0.113 19230
244 1 3 . 1 1 7 7 LYS N N 7 127.760 127.760 120.340 7.420 19230
245 1 3 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.147 0.119 19230
246 1 3 . 1 1 7 7 LYS H H 7 8.321 8.321 8.110 0.211 19230
247 1 3 . 1 1 8 8 ALA N N 8 125.595 125.595 121.308 4.287 19230
248 1 3 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.511 -0.292 19230
249 1 3 . 1 1 8 8 ALA H H 8 8.200 8.200 7.655 0.545 19230
250 1 3 . 1 1 10 10 THR N N 10 111.647 111.647 115.507 -3.860 19230
251 1 3 . 1 1 10 10 THR HA H 10 4.080 4.080 4.559 -0.479 19230
252 1 3 . 1 1 10 10 THR H H 10 8.107 8.107 8.511 -0.404 19230
253 1 3 . 1 1 11 11 SER N N 11 115.520 115.520 116.451 -0.931 19230
254 1 3 . 1 1 11 11 SER HA H 11 4.157 4.157 4.918 -0.761 19230
255 1 3 . 1 1 11 11 SER H H 11 8.216 8.216 7.881 0.335 19230
256 1 3 . 1 1 12 12 PHE N N 12 123.128 123.128 123.181 -0.053 19230
257 1 3 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.245 -0.227 19230
258 1 3 . 1 1 12 12 PHE H H 12 8.877 8.877 8.533 0.344 19230
259 1 3 . 1 1 13 13 ALA N N 13 123.710 123.710 120.569 3.141 19230
260 1 3 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.456 -0.299 19230
261 1 3 . 1 1 13 13 ALA H H 13 8.068 8.068 8.667 -0.599 19230
262 1 3 . 1 1 14 14 GLU N N 14 122.703 122.703 118.624 4.079 19230
263 1 3 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.097 0.045 19230
264 1 3 . 1 1 14 14 GLU H H 14 7.934 7.934 8.753 -0.819 19230
265 1 3 . 1 1 15 15 TYR N N 15 116.589 116.589 119.291 -2.702 19230
266 1 3 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.356 -0.013 19230
267 1 3 . 1 1 15 15 TYR H H 15 7.394 7.394 8.139 -0.745 19230
268 1 3 . 1 1 16 16 TRP N N 16 118.490 118.490 120.561 -2.071 19230
269 1 3 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.484 -0.450 19230
270 1 3 . 1 1 16 16 TRP H H 16 7.996 7.996 7.618 0.378 19230
271 1 3 . 1 1 17 17 ASN N N 17 110.763 110.763 117.177 -6.414 19230
272 1 3 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.267 0.061 19230
273 1 3 . 1 1 17 17 ASN H H 17 8.470 8.470 7.889 0.581 19230
274 1 3 . 1 1 18 18 LEU N N 18 111.233 111.233 118.788 -7.555 19230
275 1 3 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.238 -0.467 19230
276 1 3 . 1 1 18 18 LEU H H 18 8.449 8.449 7.978 0.471 19230
277 1 3 . 1 1 19 19 LEU N N 19 113.116 113.116 119.180 -6.064 19230
278 1 3 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.278 -0.260 19230
279 1 3 . 1 1 19 19 LEU H H 19 7.456 7.456 7.711 -0.255 19230
280 1 3 . 1 1 20 20 SER N N 20 111.251 111.251 110.043 1.208 19230
281 1 3 . 1 1 20 20 SER HA H 20 3.972 3.972 3.930 0.042 19230
282 1 3 . 1 1 20 20 SER H H 20 8.003 8.003 7.753 0.250 19230
283 1 3 . 1 1 21 21 ALA N N 21 123.375 123.375 121.957 1.418 19230
284 1 3 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.595 -0.484 19230
285 1 3 . 1 1 21 21 ALA H H 21 7.442 7.442 8.153 -0.711 19230
286 1 3 . 1 1 22 22 GLY N N 22 106.566 106.566 111.625 -5.059 19230
287 1 3 . 1 1 22 22 GLY H H 22 7.879 7.879 8.615 -0.736 19230
288 1 3 . 1 1 23 23 GLY N N 23 107.532 107.532 110.620 -3.088 19230
289 1 3 . 1 1 23 23 GLY H H 23 8.033 8.033 7.804 0.229 19230
290 1 3 . 1 1 24 24 VAL N N 24 117.804 117.804 118.224 -0.420 19230
291 1 3 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.465 -0.478 19230
292 1 3 . 1 1 24 24 VAL H H 24 7.950 7.950 7.884 0.066 19230
293 1 3 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.344 0.076 19230
294 1 3 . 1 1 27 27 LYS N N 27 120.668 120.668 113.821 6.847 19230
295 1 3 . 1 1 27 27 LYS HA H 27 4.096 4.096 4.047 0.049 19230
296 1 3 . 1 1 27 27 LYS H H 27 8.125 8.125 8.204 -0.078 19230
297 1 3 . 1 1 28 28 ILE N N 28 121.619 121.619 118.111 3.508 19230
298 1 3 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.151 0.053 19230
299 1 3 . 1 1 28 28 ILE H H 28 7.550 7.550 8.048 -0.498 19230
300 1 3 . 1 1 29 29 LEU N N 29 128.057 128.057 123.606 4.451 19230
301 1 3 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.266 0.092 19230
302 1 3 . 1 1 29 29 LEU H H 29 8.593 8.593 8.542 0.051 19230
303 1 3 . 1 1 30 30 GLN N N 30 126.353 126.353 120.685 5.668 19230
304 1 3 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.270 0.088 19230
305 1 3 . 1 1 30 30 GLN H H 30 8.817 8.817 8.103 0.714 19230
306 1 3 . 1 1 31 31 ARG N N 31 127.641 127.641 124.669 2.972 19230
307 1 3 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.436 -0.170 19230
308 1 3 . 1 1 31 31 ARG H H 31 8.659 8.659 8.732 -0.073 19230
309 1 3 . 1 1 33 33 ARG N N 33 117.135 117.135 119.485 -2.350 19230
310 1 3 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.465 0.110 19230
311 1 3 . 1 1 33 33 ARG H H 33 7.952 7.952 8.579 -0.627 19230
312 1 3 . 1 1 34 34 ARG N N 34 117.368 117.368 117.288 0.080 19230
313 1 3 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.618 -0.352 19230
314 1 3 . 1 1 34 34 ARG H H 34 9.221 9.221 7.820 1.401 19230
315 1 3 . 1 1 35 35 ASP N N 35 124.250 124.250 119.756 4.494 19230
316 1 3 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.475 0.084 19230
317 1 3 . 1 1 35 35 ASP H H 35 9.062 9.062 8.504 0.558 19230
318 1 3 . 1 1 36 36 SER N N 36 111.255 111.255 115.103 -3.848 19230
319 1 3 . 1 1 36 36 SER HA H 36 3.957 3.957 4.120 -0.163 19230
320 1 3 . 1 1 36 36 SER H H 36 8.009 8.009 8.132 -0.123 19230
321 1 3 . 1 1 37 37 ASP N N 37 120.379 120.379 118.920 1.459 19230
322 1 3 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.530 -0.156 19230
323 1 3 . 1 1 37 37 ASP H H 37 7.592 7.592 8.300 -0.708 19230
324 1 3 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.419 0.251 19230
325 1 3 . 1 1 40 40 GLY N N 40 107.269 107.269 111.139 -3.870 19230
326 1 3 . 1 1 40 40 GLY H H 40 8.425 8.425 8.845 -0.420 19230
327 1 3 . 1 1 41 41 ALA N N 41 125.640 125.640 124.598 1.042 19230
328 1 3 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.491 -0.272 19230
329 1 3 . 1 1 41 41 ALA H H 41 8.198 8.198 7.933 0.265 19230
330 1 3 . 1 1 43 43 ILE N N 43 114.105 114.105 114.411 -0.306 19230
331 1 3 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.309 -0.059 19230
332 1 3 . 1 1 43 43 ILE H H 43 8.879 8.879 7.923 0.957 19230
333 1 3 . 1 1 45 45 ARG N N 45 128.339 128.339 125.715 2.624 19230
334 1 3 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.081 0.030 19230
335 1 3 . 1 1 45 45 ARG H H 45 7.988 7.988 7.954 0.034 19230
336 1 3 . 1 1 46 46 GLY N N 46 108.569 108.569 111.939 -3.370 19230
337 1 3 . 1 1 46 46 GLY H H 46 8.891 8.891 9.033 -0.142 19230
338 1 3 . 1 1 47 47 ASN N N 47 115.750 115.750 118.657 -2.907 19230
339 1 3 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.591 -0.109 19230
340 1 3 . 1 1 47 47 ASN H H 47 7.648 7.648 7.894 -0.246 19230
341 1 3 . 1 1 48 48 GLY N N 48 107.292 107.292 107.717 -0.425 19230
342 1 3 . 1 1 48 48 GLY H H 48 8.275 8.275 8.339 -0.064 19230
343 1 3 . 1 1 49 49 TYR N N 49 116.570 116.570 118.223 -1.653 19230
344 1 3 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.199 -0.145 19230
345 1 3 . 1 1 49 49 TYR H H 49 7.170 7.170 7.404 -0.234 19230
346 1 4 . 1 1 2 2 GLY N N 2 110.844 110.844 110.098 0.746 19230
347 1 4 . 1 1 2 2 GLY H H 2 8.891 8.891 8.358 0.533 19230
348 1 4 . 1 1 3 3 SER N N 3 115.464 115.464 121.257 -5.793 19230
349 1 4 . 1 1 3 3 SER HA H 3 4.235 4.235 4.625 -0.390 19230
350 1 4 . 1 1 3 3 SER H H 3 8.320 8.320 9.068 -0.748 19230
351 1 4 . 1 1 4 4 GLY N N 4 107.189 107.189 109.455 -2.266 19230
352 1 4 . 1 1 4 4 GLY H H 4 8.571 8.571 7.629 0.942 19230
353 1 4 . 1 1 5 5 ALA N N 5 122.629 122.629 122.227 0.402 19230
354 1 4 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.432 -0.847 19230
355 1 4 . 1 1 5 5 ALA H H 5 9.225 9.225 8.288 0.937 19230
356 1 4 . 1 1 6 6 SER N N 6 119.024 119.024 119.617 -0.593 19230
357 1 4 . 1 1 6 6 SER HA H 6 4.127 4.127 4.195 -0.068 19230
358 1 4 . 1 1 6 6 SER H H 6 8.291 8.291 8.545 -0.254 19230
359 1 4 . 1 1 7 7 LYS N N 7 127.760 127.760 119.444 8.316 19230
360 1 4 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.421 -0.155 19230
361 1 4 . 1 1 7 7 LYS H H 7 8.321 8.321 7.872 0.449 19230
362 1 4 . 1 1 8 8 ALA N N 8 125.595 125.595 123.080 2.515 19230
363 1 4 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.431 -0.212 19230
364 1 4 . 1 1 8 8 ALA H H 8 8.200 8.200 7.459 0.741 19230
365 1 4 . 1 1 10 10 THR N N 10 111.647 111.647 116.009 -4.362 19230
366 1 4 . 1 1 10 10 THR HA H 10 4.080 4.080 4.486 -0.406 19230
367 1 4 . 1 1 10 10 THR H H 10 8.107 8.107 8.246 -0.139 19230
368 1 4 . 1 1 11 11 SER N N 11 115.520 115.520 115.737 -0.217 19230
369 1 4 . 1 1 11 11 SER HA H 11 4.157 4.157 4.775 -0.618 19230
370 1 4 . 1 1 11 11 SER H H 11 8.216 8.216 7.779 0.437 19230
371 1 4 . 1 1 12 12 PHE N N 12 123.128 123.128 122.745 0.383 19230
372 1 4 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.283 -0.265 19230
373 1 4 . 1 1 12 12 PHE H H 12 8.877 8.877 9.006 -0.129 19230
374 1 4 . 1 1 13 13 ALA N N 13 123.710 123.710 120.292 3.418 19230
375 1 4 . 1 1 13 13 ALA HA H 13 4.157 4.157 3.818 0.339 19230
376 1 4 . 1 1 13 13 ALA H H 13 8.068 8.068 6.534 1.534 19230
377 1 4 . 1 1 14 14 GLU N N 14 122.703 122.703 118.178 4.525 19230
378 1 4 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.267 -0.125 19230
379 1 4 . 1 1 14 14 GLU H H 14 7.934 7.934 7.630 0.304 19230
380 1 4 . 1 1 15 15 TYR N N 15 116.589 116.589 120.794 -4.205 19230
381 1 4 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.256 0.087 19230
382 1 4 . 1 1 15 15 TYR H H 15 7.394 7.394 8.128 -0.734 19230
383 1 4 . 1 1 16 16 TRP N N 16 118.490 118.490 119.195 -0.705 19230
384 1 4 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.304 -0.270 19230
385 1 4 . 1 1 16 16 TRP H H 16 7.996 7.996 8.148 -0.152 19230
386 1 4 . 1 1 17 17 ASN N N 17 110.763 110.763 115.882 -5.119 19230
387 1 4 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.505 -0.177 19230
388 1 4 . 1 1 17 17 ASN H H 17 8.470 8.470 7.771 0.699 19230
389 1 4 . 1 1 18 18 LEU N N 18 111.233 111.233 121.327 -10.094 19230
390 1 4 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.275 -0.504 19230
391 1 4 . 1 1 18 18 LEU H H 18 8.449 8.449 7.886 0.563 19230
392 1 4 . 1 1 19 19 LEU N N 19 113.116 113.116 121.152 -8.036 19230
393 1 4 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.580 -0.562 19230
394 1 4 . 1 1 19 19 LEU H H 19 7.456 7.456 7.971 -0.515 19230
395 1 4 . 1 1 20 20 SER N N 20 111.251 111.251 115.288 -4.037 19230
396 1 4 . 1 1 20 20 SER HA H 20 3.972 3.972 3.991 -0.019 19230
397 1 4 . 1 1 20 20 SER H H 20 8.003 8.003 7.756 0.247 19230
398 1 4 . 1 1 21 21 ALA N N 21 123.375 123.375 123.993 -0.618 19230
399 1 4 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.346 -0.235 19230
400 1 4 . 1 1 21 21 ALA H H 21 7.442 7.442 8.313 -0.871 19230
401 1 4 . 1 1 22 22 GLY N N 22 106.566 106.566 111.097 -4.531 19230
402 1 4 . 1 1 22 22 GLY H H 22 7.879 7.879 8.752 -0.873 19230
403 1 4 . 1 1 23 23 GLY N N 23 107.532 107.532 109.962 -2.430 19230
404 1 4 . 1 1 23 23 GLY H H 23 8.033 8.033 7.813 0.220 19230
405 1 4 . 1 1 24 24 VAL N N 24 117.804 117.804 119.935 -2.131 19230
406 1 4 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.319 -0.332 19230
407 1 4 . 1 1 24 24 VAL H H 24 7.950 7.950 7.989 -0.039 19230
408 1 4 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.399 0.021 19230
409 1 4 . 1 1 27 27 LYS N N 27 120.668 120.668 114.155 6.513 19230
410 1 4 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.995 0.101 19230
411 1 4 . 1 1 27 27 LYS H H 27 8.125 8.125 8.126 -0.001 19230
412 1 4 . 1 1 28 28 ILE N N 28 121.619 121.619 117.028 4.591 19230
413 1 4 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.085 0.119 19230
414 1 4 . 1 1 28 28 ILE H H 28 7.550 7.550 8.086 -0.536 19230
415 1 4 . 1 1 29 29 LEU N N 29 128.057 128.057 122.888 5.169 19230
416 1 4 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.038 0.320 19230
417 1 4 . 1 1 29 29 LEU H H 29 8.593 8.593 8.289 0.304 19230
418 1 4 . 1 1 30 30 GLN N N 30 126.353 126.353 120.146 6.207 19230
419 1 4 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.199 0.159 19230
420 1 4 . 1 1 30 30 GLN H H 30 8.817 8.817 7.880 0.937 19230
421 1 4 . 1 1 31 31 ARG N N 31 127.641 127.641 127.089 0.552 19230
422 1 4 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.280 -0.014 19230
423 1 4 . 1 1 31 31 ARG H H 31 8.659 8.659 8.685 -0.026 19230
424 1 4 . 1 1 33 33 ARG N N 33 117.135 117.135 118.736 -1.601 19230
425 1 4 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.452 0.123 19230
426 1 4 . 1 1 33 33 ARG H H 33 7.952 7.952 8.422 -0.470 19230
427 1 4 . 1 1 34 34 ARG N N 34 117.368 117.368 119.827 -2.459 19230
428 1 4 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.477 -0.211 19230
429 1 4 . 1 1 34 34 ARG H H 34 9.221 9.221 7.696 1.525 19230
430 1 4 . 1 1 35 35 ASP N N 35 124.250 124.250 115.192 9.058 19230
431 1 4 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.842 -0.283 19230
432 1 4 . 1 1 35 35 ASP H H 35 9.062 9.062 8.576 0.486 19230
433 1 4 . 1 1 36 36 SER N N 36 111.255 111.255 114.514 -3.259 19230
434 1 4 . 1 1 36 36 SER HA H 36 3.957 3.957 4.332 -0.375 19230
435 1 4 . 1 1 36 36 SER H H 36 8.009 8.009 8.042 -0.033 19230
436 1 4 . 1 1 37 37 ASP N N 37 120.379 120.379 120.676 -0.297 19230
437 1 4 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.616 -0.242 19230
438 1 4 . 1 1 37 37 ASP H H 37 7.592 7.592 8.390 -0.798 19230
439 1 4 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.452 0.218 19230
440 1 4 . 1 1 40 40 GLY N N 40 107.269 107.269 113.071 -5.802 19230
441 1 4 . 1 1 40 40 GLY H H 40 8.425 8.425 8.803 -0.378 19230
442 1 4 . 1 1 41 41 ALA N N 41 125.640 125.640 123.081 2.559 19230
443 1 4 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.338 -0.119 19230
444 1 4 . 1 1 41 41 ALA H H 41 8.198 8.198 7.800 0.398 19230
445 1 4 . 1 1 43 43 ILE N N 43 114.105 114.105 120.542 -6.437 19230
446 1 4 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.377 -0.127 19230
447 1 4 . 1 1 43 43 ILE H H 43 8.879 8.879 7.929 0.950 19230
448 1 4 . 1 1 45 45 ARG N N 45 128.339 128.339 126.735 1.604 19230
449 1 4 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.077 0.034 19230
450 1 4 . 1 1 45 45 ARG H H 45 7.988 7.988 7.944 0.044 19230
451 1 4 . 1 1 46 46 GLY N N 46 108.569 108.569 113.299 -4.730 19230
452 1 4 . 1 1 46 46 GLY H H 46 8.891 8.891 8.849 0.042 19230
453 1 4 . 1 1 47 47 ASN N N 47 115.750 115.750 118.993 -3.243 19230
454 1 4 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.576 -0.094 19230
455 1 4 . 1 1 47 47 ASN H H 47 7.648 7.648 8.174 -0.526 19230
456 1 4 . 1 1 48 48 GLY N N 48 107.292 107.292 104.585 2.707 19230
457 1 4 . 1 1 48 48 GLY H H 48 8.275 8.275 8.000 0.275 19230
458 1 4 . 1 1 49 49 TYR N N 49 116.570 116.570 117.249 -0.679 19230
459 1 4 . 1 1 49 49 TYR HA H 49 5.054 5.054 4.922 0.132 19230
460 1 4 . 1 1 49 49 TYR H H 49 7.170 7.170 8.001 -0.831 19230
461 1 5 . 1 1 2 2 GLY N N 2 110.844 110.844 114.010 -3.166 19230
462 1 5 . 1 1 2 2 GLY H H 2 8.891 8.891 8.718 0.173 19230
463 1 5 . 1 1 3 3 SER N N 3 115.464 115.464 116.816 -1.352 19230
464 1 5 . 1 1 3 3 SER HA H 3 4.235 4.235 4.503 -0.268 19230
465 1 5 . 1 1 3 3 SER H H 3 8.320 8.320 8.169 0.151 19230
466 1 5 . 1 1 4 4 GLY N N 4 107.189 107.189 109.098 -1.909 19230
467 1 5 . 1 1 4 4 GLY H H 4 8.571 8.571 7.785 0.786 19230
468 1 5 . 1 1 5 5 ALA N N 5 122.629 122.629 122.522 0.107 19230
469 1 5 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.557 -0.972 19230
470 1 5 . 1 1 5 5 ALA H H 5 9.225 9.225 8.399 0.826 19230
471 1 5 . 1 1 6 6 SER N N 6 119.024 119.024 119.367 -0.343 19230
472 1 5 . 1 1 6 6 SER HA H 6 4.127 4.127 4.216 -0.089 19230
473 1 5 . 1 1 6 6 SER H H 6 8.291 8.291 8.484 -0.193 19230
474 1 5 . 1 1 7 7 LYS N N 7 127.760 127.760 119.894 7.866 19230
475 1 5 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.331 -0.065 19230
476 1 5 . 1 1 7 7 LYS H H 7 8.321 8.321 7.937 0.384 19230
477 1 5 . 1 1 8 8 ALA N N 8 125.595 125.595 122.227 3.368 19230
478 1 5 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.449 -0.230 19230
479 1 5 . 1 1 8 8 ALA H H 8 8.200 8.200 7.417 0.783 19230
480 1 5 . 1 1 10 10 THR N N 10 111.647 111.647 117.469 -5.822 19230
481 1 5 . 1 1 10 10 THR HA H 10 4.080 4.080 4.561 -0.481 19230
482 1 5 . 1 1 10 10 THR H H 10 8.107 8.107 8.585 -0.478 19230
483 1 5 . 1 1 11 11 SER N N 11 115.520 115.520 117.027 -1.507 19230
484 1 5 . 1 1 11 11 SER HA H 11 4.157 4.157 4.905 -0.748 19230
485 1 5 . 1 1 11 11 SER H H 11 8.216 8.216 7.453 0.763 19230
486 1 5 . 1 1 12 12 PHE N N 12 123.128 123.128 124.555 -1.427 19230
487 1 5 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.220 -0.202 19230
488 1 5 . 1 1 12 12 PHE H H 12 8.877 8.877 8.908 -0.031 19230
489 1 5 . 1 1 13 13 ALA N N 13 123.710 123.710 118.849 4.861 19230
490 1 5 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.551 -0.394 19230
491 1 5 . 1 1 13 13 ALA H H 13 8.068 8.068 8.716 -0.648 19230
492 1 5 . 1 1 14 14 GLU N N 14 122.703 122.703 117.972 4.731 19230
493 1 5 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.210 -0.068 19230
494 1 5 . 1 1 14 14 GLU H H 14 7.934 7.934 8.036 -0.102 19230
495 1 5 . 1 1 15 15 TYR N N 15 116.589 116.589 118.968 -2.379 19230
496 1 5 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.395 -0.052 19230
497 1 5 . 1 1 15 15 TYR H H 15 7.394 7.394 8.233 -0.839 19230
498 1 5 . 1 1 16 16 TRP N N 16 118.490 118.490 121.547 -3.057 19230
499 1 5 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.610 -0.576 19230
500 1 5 . 1 1 16 16 TRP H H 16 7.996 7.996 7.268 0.728 19230
501 1 5 . 1 1 17 17 ASN N N 17 110.763 110.763 119.472 -8.709 19230
502 1 5 . 1 1 17 17 ASN HA H 17 4.328 4.328 3.985 0.343 19230
503 1 5 . 1 1 17 17 ASN H H 17 8.470 8.470 7.657 0.813 19230
504 1 5 . 1 1 18 18 LEU N N 18 111.233 111.233 117.095 -5.862 19230
505 1 5 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.340 -0.569 19230
506 1 5 . 1 1 18 18 LEU H H 18 8.449 8.449 7.853 0.596 19230
507 1 5 . 1 1 19 19 LEU N N 19 113.116 113.116 119.839 -6.723 19230
508 1 5 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.556 -0.538 19230
509 1 5 . 1 1 19 19 LEU H H 19 7.456 7.456 8.045 -0.589 19230
510 1 5 . 1 1 20 20 SER N N 20 111.251 111.251 113.763 -2.512 19230
511 1 5 . 1 1 20 20 SER HA H 20 3.972 3.972 3.967 0.005 19230
512 1 5 . 1 1 20 20 SER H H 20 8.003 8.003 7.543 0.460 19230
513 1 5 . 1 1 21 21 ALA N N 21 123.375 123.375 123.267 0.108 19230
514 1 5 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.288 -0.177 19230
515 1 5 . 1 1 21 21 ALA H H 21 7.442 7.442 7.463 -0.022 19230
516 1 5 . 1 1 22 22 GLY N N 22 106.566 106.566 111.990 -5.424 19230
517 1 5 . 1 1 22 22 GLY H H 22 7.879 7.879 8.366 -0.487 19230
518 1 5 . 1 1 23 23 GLY N N 23 107.532 107.532 109.248 -1.716 19230
519 1 5 . 1 1 23 23 GLY H H 23 8.033 8.033 7.916 0.117 19230
520 1 5 . 1 1 24 24 VAL N N 24 117.804 117.804 118.534 -0.730 19230
521 1 5 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.286 -0.299 19230
522 1 5 . 1 1 24 24 VAL H H 24 7.950 7.950 7.895 0.055 19230
523 1 5 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.286 0.134 19230
524 1 5 . 1 1 27 27 LYS N N 27 120.668 120.668 114.497 6.171 19230
525 1 5 . 1 1 27 27 LYS HA H 27 4.096 4.096 4.118 -0.022 19230
526 1 5 . 1 1 27 27 LYS H H 27 8.125 8.125 8.349 -0.224 19230
527 1 5 . 1 1 28 28 ILE N N 28 121.619 121.619 118.030 3.589 19230
528 1 5 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.232 -0.028 19230
529 1 5 . 1 1 28 28 ILE H H 28 7.550 7.550 8.240 -0.690 19230
530 1 5 . 1 1 29 29 LEU N N 29 128.057 128.057 121.287 6.770 19230
531 1 5 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.372 -0.014 19230
532 1 5 . 1 1 29 29 LEU H H 29 8.593 8.593 8.146 0.447 19230
533 1 5 . 1 1 30 30 GLN N N 30 126.353 126.353 121.069 5.284 19230
534 1 5 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.129 0.229 19230
535 1 5 . 1 1 30 30 GLN H H 30 8.817 8.817 8.040 0.777 19230
536 1 5 . 1 1 31 31 ARG N N 31 127.641 127.641 126.643 0.998 19230
537 1 5 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.400 -0.134 19230
538 1 5 . 1 1 31 31 ARG H H 31 8.659 8.659 8.513 0.146 19230
539 1 5 . 1 1 33 33 ARG N N 33 117.135 117.135 120.704 -3.569 19230
540 1 5 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.266 0.309 19230
541 1 5 . 1 1 33 33 ARG H H 33 7.952 7.952 8.665 -0.713 19230
542 1 5 . 1 1 34 34 ARG N N 34 117.368 117.368 116.901 0.467 19230
543 1 5 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.485 -0.219 19230
544 1 5 . 1 1 34 34 ARG H H 34 9.221 9.221 8.074 1.147 19230
545 1 5 . 1 1 35 35 ASP N N 35 124.250 124.250 118.720 5.530 19230
546 1 5 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.738 -0.179 19230
547 1 5 . 1 1 35 35 ASP H H 35 9.062 9.062 8.594 0.468 19230
548 1 5 . 1 1 36 36 SER N N 36 111.255 111.255 114.005 -2.750 19230
549 1 5 . 1 1 36 36 SER HA H 36 3.957 3.957 4.249 -0.292 19230
550 1 5 . 1 1 36 36 SER H H 36 8.009 8.009 7.797 0.212 19230
551 1 5 . 1 1 37 37 ASP N N 37 120.379 120.379 120.689 -0.310 19230
552 1 5 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.617 -0.243 19230
553 1 5 . 1 1 37 37 ASP H H 37 7.592 7.592 8.230 -0.638 19230
554 1 5 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.477 0.193 19230
555 1 5 . 1 1 40 40 GLY N N 40 107.269 107.269 113.387 -6.118 19230
556 1 5 . 1 1 40 40 GLY H H 40 8.425 8.425 8.832 -0.407 19230
557 1 5 . 1 1 41 41 ALA N N 41 125.640 125.640 123.480 2.160 19230
558 1 5 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.392 -0.173 19230
559 1 5 . 1 1 41 41 ALA H H 41 8.198 8.198 7.703 0.495 19230
560 1 5 . 1 1 43 43 ILE N N 43 114.105 114.105 117.584 -3.479 19230
561 1 5 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.345 -0.095 19230
562 1 5 . 1 1 43 43 ILE H H 43 8.879 8.879 7.706 1.173 19230
563 1 5 . 1 1 45 45 ARG N N 45 128.339 128.339 126.214 2.125 19230
564 1 5 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.115 -0.004 19230
565 1 5 . 1 1 45 45 ARG H H 45 7.988 7.988 7.704 0.284 19230
566 1 5 . 1 1 46 46 GLY N N 46 108.569 108.569 112.670 -4.101 19230
567 1 5 . 1 1 46 46 GLY H H 46 8.891 8.891 8.890 0.001 19230
568 1 5 . 1 1 47 47 ASN N N 47 115.750 115.750 118.606 -2.856 19230
569 1 5 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.720 -0.238 19230
570 1 5 . 1 1 47 47 ASN H H 47 7.648 7.648 8.087 -0.439 19230
571 1 5 . 1 1 48 48 GLY N N 48 107.292 107.292 105.492 1.800 19230
572 1 5 . 1 1 48 48 GLY H H 48 8.275 8.275 8.212 0.063 19230
573 1 5 . 1 1 49 49 TYR N N 49 116.570 116.570 118.769 -2.199 19230
574 1 5 . 1 1 49 49 TYR HA H 49 5.054 5.054 4.981 0.073 19230
575 1 5 . 1 1 49 49 TYR H H 49 7.170 7.170 8.059 -0.889 19230
576 1 6 . 1 1 2 2 GLY N N 2 110.844 110.844 109.933 0.911 19230
577 1 6 . 1 1 2 2 GLY H H 2 8.891 8.891 8.638 0.253 19230
578 1 6 . 1 1 3 3 SER N N 3 115.464 115.464 120.051 -4.587 19230
579 1 6 . 1 1 3 3 SER HA H 3 4.235 4.235 5.016 -0.781 19230
580 1 6 . 1 1 3 3 SER H H 3 8.320 8.320 7.615 0.705 19230
581 1 6 . 1 1 4 4 GLY N N 4 107.189 107.189 110.889 -3.700 19230
582 1 6 . 1 1 4 4 GLY H H 4 8.571 8.571 8.030 0.541 19230
583 1 6 . 1 1 5 5 ALA N N 5 122.629 122.629 122.711 -0.082 19230
584 1 6 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.784 -1.199 19230
585 1 6 . 1 1 5 5 ALA H H 5 9.225 9.225 8.111 1.114 19230
586 1 6 . 1 1 6 6 SER N N 6 119.024 119.024 118.090 0.934 19230
587 1 6 . 1 1 6 6 SER HA H 6 4.127 4.127 4.057 0.070 19230
588 1 6 . 1 1 6 6 SER H H 6 8.291 8.291 8.842 -0.551 19230
589 1 6 . 1 1 7 7 LYS N N 7 127.760 127.760 120.507 7.253 19230
590 1 6 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.223 0.043 19230
591 1 6 . 1 1 7 7 LYS H H 7 8.321 8.321 7.441 0.880 19230
592 1 6 . 1 1 8 8 ALA N N 8 125.595 125.595 121.506 4.089 19230
593 1 6 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.534 -0.315 19230
594 1 6 . 1 1 8 8 ALA H H 8 8.200 8.200 7.504 0.696 19230
595 1 6 . 1 1 10 10 THR N N 10 111.647 111.647 117.127 -5.480 19230
596 1 6 . 1 1 10 10 THR HA H 10 4.080 4.080 4.603 -0.523 19230
597 1 6 . 1 1 10 10 THR H H 10 8.107 8.107 8.334 -0.227 19230
598 1 6 . 1 1 11 11 SER N N 11 115.520 115.520 116.039 -0.519 19230
599 1 6 . 1 1 11 11 SER HA H 11 4.157 4.157 4.831 -0.674 19230
600 1 6 . 1 1 11 11 SER H H 11 8.216 8.216 8.203 0.013 19230
601 1 6 . 1 1 12 12 PHE N N 12 123.128 123.128 119.814 3.314 19230
602 1 6 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.599 -0.581 19230
603 1 6 . 1 1 12 12 PHE H H 12 8.877 8.877 8.243 0.634 19230
604 1 6 . 1 1 13 13 ALA N N 13 123.710 123.710 122.111 1.599 19230
605 1 6 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.100 0.057 19230
606 1 6 . 1 1 13 13 ALA H H 13 8.068 8.068 7.855 0.213 19230
607 1 6 . 1 1 14 14 GLU N N 14 122.703 122.703 118.842 3.861 19230
608 1 6 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.042 0.100 19230
609 1 6 . 1 1 14 14 GLU H H 14 7.934 7.934 8.628 -0.694 19230
610 1 6 . 1 1 15 15 TYR N N 15 116.589 116.589 120.421 -3.832 19230
611 1 6 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.295 0.048 19230
612 1 6 . 1 1 15 15 TYR H H 15 7.394 7.394 7.948 -0.554 19230
613 1 6 . 1 1 16 16 TRP N N 16 118.490 118.490 119.393 -0.903 19230
614 1 6 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.498 -0.464 19230
615 1 6 . 1 1 16 16 TRP H H 16 7.996 7.996 8.138 -0.142 19230
616 1 6 . 1 1 17 17 ASN N N 17 110.763 110.763 115.928 -5.165 19230
617 1 6 . 1 1 17 17 ASN HA H 17 4.328 4.328 5.005 -0.677 19230
618 1 6 . 1 1 17 17 ASN H H 17 8.470 8.470 8.345 0.125 19230
619 1 6 . 1 1 18 18 LEU N N 18 111.233 111.233 121.277 -10.044 19230
620 1 6 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.426 -0.655 19230
621 1 6 . 1 1 18 18 LEU H H 18 8.449 8.449 8.396 0.053 19230
622 1 6 . 1 1 19 19 LEU N N 19 113.116 113.116 120.372 -7.256 19230
623 1 6 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.098 -0.080 19230
624 1 6 . 1 1 19 19 LEU H H 19 7.456 7.456 7.911 -0.455 19230
625 1 6 . 1 1 20 20 SER N N 20 111.251 111.251 109.881 1.370 19230
626 1 6 . 1 1 20 20 SER HA H 20 3.972 3.972 4.108 -0.136 19230
627 1 6 . 1 1 20 20 SER H H 20 8.003 8.003 7.952 0.051 19230
628 1 6 . 1 1 21 21 ALA N N 21 123.375 123.375 122.817 0.558 19230
629 1 6 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.172 -0.061 19230
630 1 6 . 1 1 21 21 ALA H H 21 7.442 7.442 8.674 -1.232 19230
631 1 6 . 1 1 22 22 GLY N N 22 106.566 106.566 107.336 -0.770 19230
632 1 6 . 1 1 22 22 GLY H H 22 7.879 7.879 8.157 -0.278 19230
633 1 6 . 1 1 23 23 GLY N N 23 107.532 107.532 108.937 -1.405 19230
634 1 6 . 1 1 23 23 GLY H H 23 8.033 8.033 7.592 0.441 19230
635 1 6 . 1 1 24 24 VAL N N 24 117.804 117.804 121.538 -3.734 19230
636 1 6 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.160 -0.173 19230
637 1 6 . 1 1 24 24 VAL H H 24 7.950 7.950 8.076 -0.126 19230
638 1 6 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.334 0.086 19230
639 1 6 . 1 1 27 27 LYS N N 27 120.668 120.668 115.962 4.706 19230
640 1 6 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.919 0.177 19230
641 1 6 . 1 1 27 27 LYS H H 27 8.125 8.125 7.679 0.446 19230
642 1 6 . 1 1 28 28 ILE N N 28 121.619 121.619 116.690 4.929 19230
643 1 6 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.317 -0.113 19230
644 1 6 . 1 1 28 28 ILE H H 28 7.550 7.550 7.951 -0.401 19230
645 1 6 . 1 1 29 29 LEU N N 29 128.057 128.057 119.805 8.252 19230
646 1 6 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.262 0.096 19230
647 1 6 . 1 1 29 29 LEU H H 29 8.593 8.593 8.126 0.467 19230
648 1 6 . 1 1 30 30 GLN N N 30 126.353 126.353 120.048 6.305 19230
649 1 6 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.129 0.229 19230
650 1 6 . 1 1 30 30 GLN H H 30 8.817 8.817 8.287 0.530 19230
651 1 6 . 1 1 31 31 ARG N N 31 127.641 127.641 121.596 6.045 19230
652 1 6 . 1 1 31 31 ARG HA H 31 4.266 4.266 3.739 0.527 19230
653 1 6 . 1 1 31 31 ARG H H 31 8.659 8.659 8.342 0.317 19230
654 1 6 . 1 1 33 33 ARG N N 33 117.135 117.135 119.574 -2.439 19230
655 1 6 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.364 0.211 19230
656 1 6 . 1 1 33 33 ARG H H 33 7.952 7.952 8.747 -0.795 19230
657 1 6 . 1 1 34 34 ARG N N 34 117.368 117.368 116.632 0.736 19230
658 1 6 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.444 -0.178 19230
659 1 6 . 1 1 34 34 ARG H H 34 9.221 9.221 7.902 1.319 19230
660 1 6 . 1 1 35 35 ASP N N 35 124.250 124.250 117.291 6.959 19230
661 1 6 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.934 -0.375 19230
662 1 6 . 1 1 35 35 ASP H H 35 9.062 9.062 8.529 0.533 19230
663 1 6 . 1 1 36 36 SER N N 36 111.255 111.255 117.724 -6.469 19230
664 1 6 . 1 1 36 36 SER HA H 36 3.957 3.957 4.164 -0.207 19230
665 1 6 . 1 1 36 36 SER H H 36 8.009 8.009 8.323 -0.314 19230
666 1 6 . 1 1 37 37 ASP N N 37 120.379 120.379 121.835 -1.456 19230
667 1 6 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.472 -0.098 19230
668 1 6 . 1 1 37 37 ASP H H 37 7.592 7.592 8.582 -0.990 19230
669 1 6 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.476 0.194 19230
670 1 6 . 1 1 40 40 GLY N N 40 107.269 107.269 113.430 -6.161 19230
671 1 6 . 1 1 40 40 GLY H H 40 8.425 8.425 8.957 -0.532 19230
672 1 6 . 1 1 41 41 ALA N N 41 125.640 125.640 118.903 6.737 19230
673 1 6 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.368 -0.149 19230
674 1 6 . 1 1 41 41 ALA H H 41 8.198 8.198 7.666 0.532 19230
675 1 6 . 1 1 43 43 ILE N N 43 114.105 114.105 120.278 -6.173 19230
676 1 6 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.406 -0.156 19230
677 1 6 . 1 1 43 43 ILE H H 43 8.879 8.879 7.977 0.902 19230
678 1 6 . 1 1 45 45 ARG N N 45 128.339 128.339 126.599 1.740 19230
679 1 6 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.380 -0.269 19230
680 1 6 . 1 1 45 45 ARG H H 45 7.988 7.988 8.224 -0.236 19230
681 1 6 . 1 1 46 46 GLY N N 46 108.569 108.569 115.607 -7.038 19230
682 1 6 . 1 1 46 46 GLY H H 46 8.891 8.891 8.974 -0.083 19230
683 1 6 . 1 1 47 47 ASN N N 47 115.750 115.750 120.943 -5.193 19230
684 1 6 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.453 0.029 19230
685 1 6 . 1 1 47 47 ASN H H 47 7.648 7.648 8.442 -0.794 19230
686 1 6 . 1 1 48 48 GLY N N 48 107.292 107.292 103.653 3.639 19230
687 1 6 . 1 1 48 48 GLY H H 48 8.275 8.275 8.106 0.169 19230
688 1 6 . 1 1 49 49 TYR N N 49 116.570 116.570 118.400 -1.830 19230
689 1 6 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.082 -0.028 19230
690 1 6 . 1 1 49 49 TYR H H 49 7.170 7.170 7.941 -0.771 19230
691 1 7 . 1 1 2 2 GLY N N 2 110.844 110.844 111.888 -1.044 19230
692 1 7 . 1 1 2 2 GLY H H 2 8.891 8.891 8.467 0.424 19230
693 1 7 . 1 1 3 3 SER N N 3 115.464 115.464 118.599 -3.135 19230
694 1 7 . 1 1 3 3 SER HA H 3 4.235 4.235 4.542 -0.307 19230
695 1 7 . 1 1 3 3 SER H H 3 8.320 8.320 8.976 -0.656 19230
696 1 7 . 1 1 4 4 GLY N N 4 107.189 107.189 109.497 -2.308 19230
697 1 7 . 1 1 4 4 GLY H H 4 8.571 8.571 7.816 0.755 19230
698 1 7 . 1 1 5 5 ALA N N 5 122.629 122.629 121.601 1.028 19230
699 1 7 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.476 -0.891 19230
700 1 7 . 1 1 5 5 ALA H H 5 9.225 9.225 8.149 1.076 19230
701 1 7 . 1 1 6 6 SER N N 6 119.024 119.024 117.586 1.438 19230
702 1 7 . 1 1 6 6 SER HA H 6 4.127 4.127 4.363 -0.236 19230
703 1 7 . 1 1 6 6 SER H H 6 8.291 8.291 8.583 -0.292 19230
704 1 7 . 1 1 7 7 LYS N N 7 127.760 127.760 120.266 7.494 19230
705 1 7 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.414 -0.148 19230
706 1 7 . 1 1 7 7 LYS H H 7 8.321 8.321 7.381 0.940 19230
707 1 7 . 1 1 8 8 ALA N N 8 125.595 125.595 123.228 2.367 19230
708 1 7 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.492 -0.273 19230
709 1 7 . 1 1 8 8 ALA H H 8 8.200 8.200 7.485 0.715 19230
710 1 7 . 1 1 10 10 THR N N 10 111.647 111.647 116.142 -4.495 19230
711 1 7 . 1 1 10 10 THR HA H 10 4.080 4.080 4.387 -0.307 19230
712 1 7 . 1 1 10 10 THR H H 10 8.107 8.107 8.646 -0.539 19230
713 1 7 . 1 1 11 11 SER N N 11 115.520 115.520 116.547 -1.027 19230
714 1 7 . 1 1 11 11 SER HA H 11 4.157 4.157 4.868 -0.711 19230
715 1 7 . 1 1 11 11 SER H H 11 8.216 8.216 7.372 0.845 19230
716 1 7 . 1 1 12 12 PHE N N 12 123.128 123.128 124.432 -1.304 19230
717 1 7 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.205 -0.187 19230
718 1 7 . 1 1 12 12 PHE H H 12 8.877 8.877 8.873 0.004 19230
719 1 7 . 1 1 13 13 ALA N N 13 123.710 123.710 117.606 6.104 19230
720 1 7 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.622 -0.465 19230
721 1 7 . 1 1 13 13 ALA H H 13 8.068 8.068 8.582 -0.514 19230
722 1 7 . 1 1 14 14 GLU N N 14 122.703 122.703 119.474 3.229 19230
723 1 7 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.346 -0.204 19230
724 1 7 . 1 1 14 14 GLU H H 14 7.934 7.934 7.917 0.017 19230
725 1 7 . 1 1 15 15 TYR N N 15 116.589 116.589 122.338 -5.749 19230
726 1 7 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.157 0.186 19230
727 1 7 . 1 1 15 15 TYR H H 15 7.394 7.394 8.193 -0.799 19230
728 1 7 . 1 1 16 16 TRP N N 16 118.490 118.490 119.418 -0.928 19230
729 1 7 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.039 -0.005 19230
730 1 7 . 1 1 16 16 TRP H H 16 7.996 7.996 8.735 -0.739 19230
731 1 7 . 1 1 17 17 ASN N N 17 110.763 110.763 115.742 -4.979 19230
732 1 7 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.262 0.066 19230
733 1 7 . 1 1 17 17 ASN H H 17 8.470 8.470 7.720 0.750 19230
734 1 7 . 1 1 18 18 LEU N N 18 111.233 111.233 118.545 -7.312 19230
735 1 7 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.303 -0.532 19230
736 1 7 . 1 1 18 18 LEU H H 18 8.449 8.449 7.437 1.012 19230
737 1 7 . 1 1 19 19 LEU N N 19 113.116 113.116 121.338 -8.222 19230
738 1 7 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.664 -0.646 19230
739 1 7 . 1 1 19 19 LEU H H 19 7.456 7.456 7.744 -0.288 19230
740 1 7 . 1 1 20 20 SER N N 20 111.251 111.251 113.093 -1.842 19230
741 1 7 . 1 1 20 20 SER HA H 20 3.972 3.972 4.109 -0.137 19230
742 1 7 . 1 1 20 20 SER H H 20 8.003 8.003 7.478 0.525 19230
743 1 7 . 1 1 21 21 ALA N N 21 123.375 123.375 123.454 -0.079 19230
744 1 7 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.517 -0.406 19230
745 1 7 . 1 1 21 21 ALA H H 21 7.442 7.442 7.140 0.302 19230
746 1 7 . 1 1 22 22 GLY N N 22 106.566 106.566 110.040 -3.474 19230
747 1 7 . 1 1 22 22 GLY H H 22 7.879 7.879 8.851 -0.972 19230
748 1 7 . 1 1 23 23 GLY N N 23 107.532 107.532 110.234 -2.702 19230
749 1 7 . 1 1 23 23 GLY H H 23 8.033 8.033 7.689 0.344 19230
750 1 7 . 1 1 24 24 VAL N N 24 117.804 117.804 121.746 -3.942 19230
751 1 7 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.199 -0.212 19230
752 1 7 . 1 1 24 24 VAL H H 24 7.950 7.950 8.033 -0.083 19230
753 1 7 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.199 0.221 19230
754 1 7 . 1 1 27 27 LYS N N 27 120.668 120.668 113.638 7.030 19230
755 1 7 . 1 1 27 27 LYS HA H 27 4.096 4.096 4.160 -0.064 19230
756 1 7 . 1 1 27 27 LYS H H 27 8.125 8.125 8.413 -0.288 19230
757 1 7 . 1 1 28 28 ILE N N 28 121.619 121.619 117.265 4.354 19230
758 1 7 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.064 0.140 19230
759 1 7 . 1 1 28 28 ILE H H 28 7.550 7.550 8.066 -0.516 19230
760 1 7 . 1 1 29 29 LEU N N 29 128.057 128.057 122.507 5.550 19230
761 1 7 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.738 -0.380 19230
762 1 7 . 1 1 29 29 LEU H H 29 8.593 8.593 8.590 0.003 19230
763 1 7 . 1 1 30 30 GLN N N 30 126.353 126.353 119.826 6.527 19230
764 1 7 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.424 -0.066 19230
765 1 7 . 1 1 30 30 GLN H H 30 8.817 8.817 7.711 1.106 19230
766 1 7 . 1 1 31 31 ARG N N 31 127.641 127.641 125.682 1.959 19230
767 1 7 . 1 1 31 31 ARG HA H 31 4.266 4.266 3.991 0.275 19230
768 1 7 . 1 1 31 31 ARG H H 31 8.659 8.659 8.482 0.177 19230
769 1 7 . 1 1 33 33 ARG N N 33 117.135 117.135 120.788 -3.653 19230
770 1 7 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.456 0.119 19230
771 1 7 . 1 1 33 33 ARG H H 33 7.952 7.952 8.400 -0.448 19230
772 1 7 . 1 1 34 34 ARG N N 34 117.368 117.368 116.758 0.610 19230
773 1 7 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.600 -0.334 19230
774 1 7 . 1 1 34 34 ARG H H 34 9.221 9.221 8.044 1.177 19230
775 1 7 . 1 1 35 35 ASP N N 35 124.250 124.250 116.469 7.781 19230
776 1 7 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.717 -0.158 19230
777 1 7 . 1 1 35 35 ASP H H 35 9.062 9.062 8.516 0.546 19230
778 1 7 . 1 1 36 36 SER N N 36 111.255 111.255 115.276 -4.021 19230
779 1 7 . 1 1 36 36 SER HA H 36 3.957 3.957 4.309 -0.352 19230
780 1 7 . 1 1 36 36 SER H H 36 8.009 8.009 8.117 -0.108 19230
781 1 7 . 1 1 37 37 ASP N N 37 120.379 120.379 118.790 1.589 19230
782 1 7 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.692 -0.318 19230
783 1 7 . 1 1 37 37 ASP H H 37 7.592 7.592 7.957 -0.365 19230
784 1 7 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.426 0.244 19230
785 1 7 . 1 1 40 40 GLY N N 40 107.269 107.269 113.625 -6.356 19230
786 1 7 . 1 1 40 40 GLY H H 40 8.425 8.425 8.846 -0.421 19230
787 1 7 . 1 1 41 41 ALA N N 41 125.640 125.640 123.628 2.012 19230
788 1 7 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.446 -0.227 19230
789 1 7 . 1 1 41 41 ALA H H 41 8.198 8.198 7.683 0.515 19230
790 1 7 . 1 1 43 43 ILE N N 43 114.105 114.105 120.033 -5.928 19230
791 1 7 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.103 0.147 19230
792 1 7 . 1 1 43 43 ILE H H 43 8.879 8.879 7.965 0.914 19230
793 1 7 . 1 1 45 45 ARG N N 45 128.339 128.339 127.903 0.436 19230
794 1 7 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.187 -0.076 19230
795 1 7 . 1 1 45 45 ARG H H 45 7.988 7.988 8.030 -0.042 19230
796 1 7 . 1 1 46 46 GLY N N 46 108.569 108.569 113.468 -4.899 19230
797 1 7 . 1 1 46 46 GLY H H 46 8.891 8.891 8.872 0.019 19230
798 1 7 . 1 1 47 47 ASN N N 47 115.750 115.750 119.851 -4.101 19230
799 1 7 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.646 -0.164 19230
800 1 7 . 1 1 47 47 ASN H H 47 7.648 7.648 7.992 -0.344 19230
801 1 7 . 1 1 48 48 GLY N N 48 107.292 107.292 105.999 1.293 19230
802 1 7 . 1 1 48 48 GLY H H 48 8.275 8.275 8.231 0.044 19230
803 1 7 . 1 1 49 49 TYR N N 49 116.570 116.570 120.780 -4.210 19230
804 1 7 . 1 1 49 49 TYR HA H 49 5.054 5.054 4.862 0.193 19230
805 1 7 . 1 1 49 49 TYR H H 49 7.170 7.170 8.213 -1.043 19230
806 1 8 . 1 1 2 2 GLY N N 2 110.844 110.844 112.830 -1.986 19230
807 1 8 . 1 1 2 2 GLY H H 2 8.891 8.891 8.781 0.110 19230
808 1 8 . 1 1 3 3 SER N N 3 115.464 115.464 119.015 -3.551 19230
809 1 8 . 1 1 3 3 SER HA H 3 4.235 4.235 4.711 -0.476 19230
810 1 8 . 1 1 3 3 SER H H 3 8.320 8.320 8.620 -0.300 19230
811 1 8 . 1 1 4 4 GLY N N 4 107.189 107.189 107.732 -0.543 19230
812 1 8 . 1 1 4 4 GLY H H 4 8.571 8.571 8.268 0.303 19230
813 1 8 . 1 1 5 5 ALA N N 5 122.629 122.629 122.836 -0.207 19230
814 1 8 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.724 -1.139 19230
815 1 8 . 1 1 5 5 ALA H H 5 9.225 9.225 8.190 1.035 19230
816 1 8 . 1 1 6 6 SER N N 6 119.024 119.024 119.472 -0.448 19230
817 1 8 . 1 1 6 6 SER HA H 6 4.127 4.127 4.526 -0.399 19230
818 1 8 . 1 1 6 6 SER H H 6 8.291 8.291 8.835 -0.544 19230
819 1 8 . 1 1 7 7 LYS N N 7 127.760 127.760 120.146 7.614 19230
820 1 8 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.400 -0.134 19230
821 1 8 . 1 1 7 7 LYS H H 7 8.321 8.321 8.165 0.156 19230
822 1 8 . 1 1 8 8 ALA N N 8 125.595 125.595 123.642 1.953 19230
823 1 8 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.384 -0.165 19230
824 1 8 . 1 1 8 8 ALA H H 8 8.200 8.200 7.515 0.685 19230
825 1 8 . 1 1 10 10 THR N N 10 111.647 111.647 117.838 -6.191 19230
826 1 8 . 1 1 10 10 THR HA H 10 4.080 4.080 4.483 -0.403 19230
827 1 8 . 1 1 10 10 THR H H 10 8.107 8.107 8.617 -0.510 19230
828 1 8 . 1 1 11 11 SER N N 11 115.520 115.520 114.301 1.219 19230
829 1 8 . 1 1 11 11 SER HA H 11 4.157 4.157 4.684 -0.527 19230
830 1 8 . 1 1 11 11 SER H H 11 8.216 8.216 7.464 0.752 19230
831 1 8 . 1 1 12 12 PHE N N 12 123.128 123.128 124.158 -1.030 19230
832 1 8 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.388 -0.370 19230
833 1 8 . 1 1 12 12 PHE H H 12 8.877 8.877 9.022 -0.145 19230
834 1 8 . 1 1 13 13 ALA N N 13 123.710 123.710 121.389 2.321 19230
835 1 8 . 1 1 13 13 ALA HA H 13 4.157 4.157 3.853 0.304 19230
836 1 8 . 1 1 13 13 ALA H H 13 8.068 8.068 8.237 -0.169 19230
837 1 8 . 1 1 14 14 GLU N N 14 122.703 122.703 118.250 4.453 19230
838 1 8 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.157 -0.015 19230
839 1 8 . 1 1 14 14 GLU H H 14 7.934 7.934 8.538 -0.604 19230
840 1 8 . 1 1 15 15 TYR N N 15 116.589 116.589 118.092 -1.503 19230
841 1 8 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.513 -0.170 19230
842 1 8 . 1 1 15 15 TYR H H 15 7.394 7.394 8.034 -0.640 19230
843 1 8 . 1 1 16 16 TRP N N 16 118.490 118.490 120.905 -2.415 19230
844 1 8 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.518 -0.484 19230
845 1 8 . 1 1 16 16 TRP H H 16 7.996 7.996 7.384 0.612 19230
846 1 8 . 1 1 17 17 ASN N N 17 110.763 110.763 118.100 -7.337 19230
847 1 8 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.381 -0.053 19230
848 1 8 . 1 1 17 17 ASN H H 17 8.470 8.470 8.135 0.335 19230
849 1 8 . 1 1 18 18 LEU N N 18 111.233 111.233 119.277 -8.044 19230
850 1 8 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.238 -0.467 19230
851 1 8 . 1 1 18 18 LEU H H 18 8.449 8.449 7.427 1.022 19230
852 1 8 . 1 1 19 19 LEU N N 19 113.116 113.116 119.859 -6.743 19230
853 1 8 . 1 1 19 19 LEU HA H 19 4.018 4.018 3.969 0.049 19230
854 1 8 . 1 1 19 19 LEU H H 19 7.456 7.456 7.467 -0.011 19230
855 1 8 . 1 1 20 20 SER N N 20 111.251 111.251 112.064 -0.813 19230
856 1 8 . 1 1 20 20 SER HA H 20 3.972 3.972 3.940 0.032 19230
857 1 8 . 1 1 20 20 SER H H 20 8.003 8.003 7.877 0.126 19230
858 1 8 . 1 1 21 21 ALA N N 21 123.375 123.375 122.779 0.596 19230
859 1 8 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.320 -0.209 19230
860 1 8 . 1 1 21 21 ALA H H 21 7.442 7.442 7.309 0.133 19230
861 1 8 . 1 1 22 22 GLY N N 22 106.566 106.566 106.704 -0.138 19230
862 1 8 . 1 1 22 22 GLY H H 22 7.879 7.879 8.021 -0.142 19230
863 1 8 . 1 1 23 23 GLY N N 23 107.532 107.532 110.020 -2.488 19230
864 1 8 . 1 1 23 23 GLY H H 23 8.033 8.033 7.899 0.134 19230
865 1 8 . 1 1 24 24 VAL N N 24 117.804 117.804 116.791 1.013 19230
866 1 8 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.141 -0.154 19230
867 1 8 . 1 1 24 24 VAL H H 24 7.950 7.950 8.010 -0.060 19230
868 1 8 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.273 0.147 19230
869 1 8 . 1 1 27 27 LYS N N 27 120.668 120.668 113.606 7.062 19230
870 1 8 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.907 0.189 19230
871 1 8 . 1 1 27 27 LYS H H 27 8.125 8.125 8.027 0.098 19230
872 1 8 . 1 1 28 28 ILE N N 28 121.619 121.619 116.934 4.685 19230
873 1 8 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.019 0.185 19230
874 1 8 . 1 1 28 28 ILE H H 28 7.550 7.550 8.030 -0.480 19230
875 1 8 . 1 1 29 29 LEU N N 29 128.057 128.057 121.653 6.404 19230
876 1 8 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.362 -0.004 19230
877 1 8 . 1 1 29 29 LEU H H 29 8.593 8.593 8.208 0.385 19230
878 1 8 . 1 1 30 30 GLN N N 30 126.353 126.353 120.084 6.269 19230
879 1 8 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.261 0.097 19230
880 1 8 . 1 1 30 30 GLN H H 30 8.817 8.817 7.957 0.860 19230
881 1 8 . 1 1 31 31 ARG N N 31 127.641 127.641 126.047 1.594 19230
882 1 8 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.167 0.099 19230
883 1 8 . 1 1 31 31 ARG H H 31 8.659 8.659 8.661 -0.002 19230
884 1 8 . 1 1 33 33 ARG N N 33 117.135 117.135 117.921 -0.786 19230
885 1 8 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.468 0.107 19230
886 1 8 . 1 1 33 33 ARG H H 33 7.952 7.952 8.351 -0.399 19230
887 1 8 . 1 1 34 34 ARG N N 34 117.368 117.368 118.868 -1.500 19230
888 1 8 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.524 -0.258 19230
889 1 8 . 1 1 34 34 ARG H H 34 9.221 9.221 8.344 0.877 19230
890 1 8 . 1 1 35 35 ASP N N 35 124.250 124.250 118.289 5.961 19230
891 1 8 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.681 -0.122 19230
892 1 8 . 1 1 35 35 ASP H H 35 9.062 9.062 8.529 0.533 19230
893 1 8 . 1 1 36 36 SER N N 36 111.255 111.255 117.082 -5.827 19230
894 1 8 . 1 1 36 36 SER HA H 36 3.957 3.957 4.184 -0.227 19230
895 1 8 . 1 1 36 36 SER H H 36 8.009 8.009 8.121 -0.112 19230
896 1 8 . 1 1 37 37 ASP N N 37 120.379 120.379 120.055 0.324 19230
897 1 8 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.528 -0.154 19230
898 1 8 . 1 1 37 37 ASP H H 37 7.592 7.592 8.333 -0.741 19230
899 1 8 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.459 0.211 19230
900 1 8 . 1 1 40 40 GLY N N 40 107.269 107.269 112.690 -5.421 19230
901 1 8 . 1 1 40 40 GLY H H 40 8.425 8.425 8.841 -0.416 19230
902 1 8 . 1 1 41 41 ALA N N 41 125.640 125.640 122.838 2.802 19230
903 1 8 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.360 -0.141 19230
904 1 8 . 1 1 41 41 ALA H H 41 8.198 8.198 7.806 0.392 19230
905 1 8 . 1 1 43 43 ILE N N 43 114.105 114.105 117.889 -3.784 19230
906 1 8 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.356 -0.106 19230
907 1 8 . 1 1 43 43 ILE H H 43 8.879 8.879 8.164 0.715 19230
908 1 8 . 1 1 45 45 ARG N N 45 128.339 128.339 126.976 1.363 19230
909 1 8 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.145 -0.034 19230
910 1 8 . 1 1 45 45 ARG H H 45 7.988 7.988 7.963 0.025 19230
911 1 8 . 1 1 46 46 GLY N N 46 108.569 108.569 110.426 -1.857 19230
912 1 8 . 1 1 46 46 GLY H H 46 8.891 8.891 9.002 -0.111 19230
913 1 8 . 1 1 47 47 ASN N N 47 115.750 115.750 118.737 -2.987 19230
914 1 8 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.757 -0.275 19230
915 1 8 . 1 1 47 47 ASN H H 47 7.648 7.648 8.058 -0.410 19230
916 1 8 . 1 1 48 48 GLY N N 48 107.292 107.292 105.900 1.392 19230
917 1 8 . 1 1 48 48 GLY H H 48 8.275 8.275 8.243 0.032 19230
918 1 8 . 1 1 49 49 TYR N N 49 116.570 116.570 119.779 -3.209 19230
919 1 8 . 1 1 49 49 TYR HA H 49 5.054 5.054 4.816 0.238 19230
920 1 8 . 1 1 49 49 TYR H H 49 7.170 7.170 7.587 -0.417 19230
921 1 9 . 1 1 2 2 GLY N N 2 110.844 110.844 112.241 -1.397 19230
922 1 9 . 1 1 2 2 GLY H H 2 8.891 8.891 8.584 0.307 19230
923 1 9 . 1 1 3 3 SER N N 3 115.464 115.464 119.587 -4.123 19230
924 1 9 . 1 1 3 3 SER HA H 3 4.235 4.235 4.616 -0.381 19230
925 1 9 . 1 1 3 3 SER H H 3 8.320 8.320 8.167 0.153 19230
926 1 9 . 1 1 4 4 GLY N N 4 107.189 107.189 108.919 -1.730 19230
927 1 9 . 1 1 4 4 GLY H H 4 8.571 8.571 7.934 0.637 19230
928 1 9 . 1 1 5 5 ALA N N 5 122.629 122.629 120.926 1.703 19230
929 1 9 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.536 -0.951 19230
930 1 9 . 1 1 5 5 ALA H H 5 9.225 9.225 8.455 0.770 19230
931 1 9 . 1 1 6 6 SER N N 6 119.024 119.024 118.173 0.851 19230
932 1 9 . 1 1 6 6 SER HA H 6 4.127 4.127 4.314 -0.187 19230
933 1 9 . 1 1 6 6 SER H H 6 8.291 8.291 8.878 -0.587 19230
934 1 9 . 1 1 7 7 LYS N N 7 127.760 127.760 120.504 7.256 19230
935 1 9 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.196 0.070 19230
936 1 9 . 1 1 7 7 LYS H H 7 8.321 8.321 8.289 0.032 19230
937 1 9 . 1 1 8 8 ALA N N 8 125.595 125.595 121.582 4.013 19230
938 1 9 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.318 -0.099 19230
939 1 9 . 1 1 8 8 ALA H H 8 8.200 8.200 7.142 1.058 19230
940 1 9 . 1 1 10 10 THR N N 10 111.647 111.647 119.350 -7.703 19230
941 1 9 . 1 1 10 10 THR HA H 10 4.080 4.080 4.525 -0.445 19230
942 1 9 . 1 1 10 10 THR H H 10 8.107 8.107 8.833 -0.726 19230
943 1 9 . 1 1 11 11 SER N N 11 115.520 115.520 116.045 -0.525 19230
944 1 9 . 1 1 11 11 SER HA H 11 4.157 4.157 4.747 -0.590 19230
945 1 9 . 1 1 11 11 SER H H 11 8.216 8.216 7.497 0.719 19230
946 1 9 . 1 1 12 12 PHE N N 12 123.128 123.128 125.059 -1.931 19230
947 1 9 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.262 -0.244 19230
948 1 9 . 1 1 12 12 PHE H H 12 8.877 8.877 8.926 -0.049 19230
949 1 9 . 1 1 13 13 ALA N N 13 123.710 123.710 120.983 2.727 19230
950 1 9 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.307 -0.150 19230
951 1 9 . 1 1 13 13 ALA H H 13 8.068 8.068 8.651 -0.583 19230
952 1 9 . 1 1 14 14 GLU N N 14 122.703 122.703 118.979 3.724 19230
953 1 9 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.306 -0.164 19230
954 1 9 . 1 1 14 14 GLU H H 14 7.934 7.934 8.322 -0.388 19230
955 1 9 . 1 1 15 15 TYR N N 15 116.589 116.589 120.712 -4.123 19230
956 1 9 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.264 0.079 19230
957 1 9 . 1 1 15 15 TYR H H 15 7.394 7.394 8.386 -0.992 19230
958 1 9 . 1 1 16 16 TRP N N 16 118.490 118.490 118.810 -0.320 19230
959 1 9 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.294 -0.260 19230
960 1 9 . 1 1 16 16 TRP H H 16 7.996 7.996 8.850 -0.854 19230
961 1 9 . 1 1 17 17 ASN N N 17 110.763 110.763 119.092 -8.329 19230
962 1 9 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.429 -0.101 19230
963 1 9 . 1 1 17 17 ASN H H 17 8.470 8.470 7.914 0.556 19230
964 1 9 . 1 1 18 18 LEU N N 18 111.233 111.233 119.813 -8.580 19230
965 1 9 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.278 -0.507 19230
966 1 9 . 1 1 18 18 LEU H H 18 8.449 8.449 8.062 0.387 19230
967 1 9 . 1 1 19 19 LEU N N 19 113.116 113.116 119.095 -5.979 19230
968 1 9 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.353 -0.335 19230
969 1 9 . 1 1 19 19 LEU H H 19 7.456 7.456 7.349 0.107 19230
970 1 9 . 1 1 20 20 SER N N 20 111.251 111.251 115.322 -4.071 19230
971 1 9 . 1 1 20 20 SER HA H 20 3.972 3.972 3.963 0.009 19230
972 1 9 . 1 1 20 20 SER H H 20 8.003 8.003 7.652 0.351 19230
973 1 9 . 1 1 21 21 ALA N N 21 123.375 123.375 124.707 -1.332 19230
974 1 9 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.468 -0.357 19230
975 1 9 . 1 1 21 21 ALA H H 21 7.442 7.442 8.174 -0.732 19230
976 1 9 . 1 1 22 22 GLY N N 22 106.566 106.566 110.570 -4.004 19230
977 1 9 . 1 1 22 22 GLY H H 22 7.879 7.879 8.683 -0.804 19230
978 1 9 . 1 1 23 23 GLY N N 23 107.532 107.532 108.291 -0.759 19230
979 1 9 . 1 1 23 23 GLY H H 23 8.033 8.033 8.043 -0.010 19230
980 1 9 . 1 1 24 24 VAL N N 24 117.804 117.804 121.128 -3.324 19230
981 1 9 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.239 -0.252 19230
982 1 9 . 1 1 24 24 VAL H H 24 7.950 7.950 8.072 -0.122 19230
983 1 9 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.455 -0.035 19230
984 1 9 . 1 1 27 27 LYS N N 27 120.668 120.668 114.135 6.533 19230
985 1 9 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.788 0.308 19230
986 1 9 . 1 1 27 27 LYS H H 27 8.125 8.125 8.196 -0.071 19230
987 1 9 . 1 1 28 28 ILE N N 28 121.619 121.619 114.965 6.654 19230
988 1 9 . 1 1 28 28 ILE HA H 28 4.204 4.204 3.905 0.299 19230
989 1 9 . 1 1 28 28 ILE H H 28 7.550 7.550 7.701 -0.151 19230
990 1 9 . 1 1 29 29 LEU N N 29 128.057 128.057 123.961 4.096 19230
991 1 9 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.195 0.163 19230
992 1 9 . 1 1 29 29 LEU H H 29 8.593 8.593 8.313 0.280 19230
993 1 9 . 1 1 30 30 GLN N N 30 126.353 126.353 120.322 6.031 19230
994 1 9 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.232 0.126 19230
995 1 9 . 1 1 30 30 GLN H H 30 8.817 8.817 7.795 1.022 19230
996 1 9 . 1 1 31 31 ARG N N 31 127.641 127.641 127.591 0.050 19230
997 1 9 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.564 -0.298 19230
998 1 9 . 1 1 31 31 ARG H H 31 8.659 8.659 8.719 -0.060 19230
999 1 9 . 1 1 33 33 ARG N N 33 117.135 117.135 118.771 -1.636 19230
1000 1 9 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.449 0.126 19230
1001 1 9 . 1 1 33 33 ARG H H 33 7.952 7.952 8.433 -0.481 19230
1002 1 9 . 1 1 34 34 ARG N N 34 117.368 117.368 119.854 -2.486 19230
1003 1 9 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.590 -0.324 19230
1004 1 9 . 1 1 34 34 ARG H H 34 9.221 9.221 7.598 1.623 19230
1005 1 9 . 1 1 35 35 ASP N N 35 124.250 124.250 118.292 5.958 19230
1006 1 9 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.619 -0.060 19230
1007 1 9 . 1 1 35 35 ASP H H 35 9.062 9.062 8.718 0.344 19230
1008 1 9 . 1 1 36 36 SER N N 36 111.255 111.255 115.554 -4.299 19230
1009 1 9 . 1 1 36 36 SER HA H 36 3.957 3.957 4.366 -0.409 19230
1010 1 9 . 1 1 36 36 SER H H 36 8.009 8.009 8.446 -0.437 19230
1011 1 9 . 1 1 37 37 ASP N N 37 120.379 120.379 120.447 -0.068 19230
1012 1 9 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.751 -0.377 19230
1013 1 9 . 1 1 37 37 ASP H H 37 7.592 7.592 7.585 0.007 19230
1014 1 9 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.487 0.183 19230
1015 1 9 . 1 1 40 40 GLY N N 40 107.269 107.269 110.086 -2.817 19230
1016 1 9 . 1 1 40 40 GLY H H 40 8.425 8.425 8.594 -0.169 19230
1017 1 9 . 1 1 41 41 ALA N N 41 125.640 125.640 125.768 -0.128 19230
1018 1 9 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.672 -0.453 19230
1019 1 9 . 1 1 41 41 ALA H H 41 8.198 8.198 7.992 0.206 19230
1020 1 9 . 1 1 43 43 ILE N N 43 114.105 114.105 115.876 -1.771 19230
1021 1 9 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.353 -0.103 19230
1022 1 9 . 1 1 43 43 ILE H H 43 8.879 8.879 7.852 1.027 19230
1023 1 9 . 1 1 45 45 ARG N N 45 128.339 128.339 126.516 1.823 19230
1024 1 9 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.105 0.006 19230
1025 1 9 . 1 1 45 45 ARG H H 45 7.988 7.988 8.341 -0.353 19230
1026 1 9 . 1 1 46 46 GLY N N 46 108.569 108.569 115.985 -7.416 19230
1027 1 9 . 1 1 46 46 GLY H H 46 8.891 8.891 8.761 0.130 19230
1028 1 9 . 1 1 47 47 ASN N N 47 115.750 115.750 121.734 -5.984 19230
1029 1 9 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.308 0.174 19230
1030 1 9 . 1 1 47 47 ASN H H 47 7.648 7.648 8.468 -0.820 19230
1031 1 9 . 1 1 48 48 GLY N N 48 107.292 107.292 104.031 3.261 19230
1032 1 9 . 1 1 48 48 GLY H H 48 8.275 8.275 8.279 -0.004 19230
1033 1 9 . 1 1 49 49 TYR N N 49 116.570 116.570 118.482 -1.912 19230
1034 1 9 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.376 -0.322 19230
1035 1 9 . 1 1 49 49 TYR H H 49 7.170 7.170 7.651 -0.481 19230
1036 1 10 . 1 1 2 2 GLY N N 2 110.844 110.844 110.193 0.651 19230
1037 1 10 . 1 1 2 2 GLY H H 2 8.891 8.891 8.700 0.191 19230
1038 1 10 . 1 1 3 3 SER N N 3 115.464 115.464 117.743 -2.279 19230
1039 1 10 . 1 1 3 3 SER HA H 3 4.235 4.235 4.432 -0.197 19230
1040 1 10 . 1 1 3 3 SER H H 3 8.320 8.320 7.858 0.462 19230
1041 1 10 . 1 1 4 4 GLY N N 4 107.189 107.189 109.831 -2.642 19230
1042 1 10 . 1 1 4 4 GLY H H 4 8.571 8.571 7.853 0.718 19230
1043 1 10 . 1 1 5 5 ALA N N 5 122.629 122.629 121.759 0.870 19230
1044 1 10 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.554 -0.969 19230
1045 1 10 . 1 1 5 5 ALA H H 5 9.225 9.225 8.392 0.833 19230
1046 1 10 . 1 1 6 6 SER N N 6 119.024 119.024 115.751 3.273 19230
1047 1 10 . 1 1 6 6 SER HA H 6 4.127 4.127 4.202 -0.075 19230
1048 1 10 . 1 1 6 6 SER H H 6 8.291 8.291 8.160 0.131 19230
1049 1 10 . 1 1 7 7 LYS N N 7 127.760 127.760 120.511 7.249 19230
1050 1 10 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.370 -0.104 19230
1051 1 10 . 1 1 7 7 LYS H H 7 8.321 8.321 7.622 0.699 19230
1052 1 10 . 1 1 8 8 ALA N N 8 125.595 125.595 120.993 4.602 19230
1053 1 10 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.584 -0.365 19230
1054 1 10 . 1 1 8 8 ALA H H 8 8.200 8.200 7.837 0.363 19230
1055 1 10 . 1 1 10 10 THR N N 10 111.647 111.647 114.826 -3.179 19230
1056 1 10 . 1 1 10 10 THR HA H 10 4.080 4.080 4.528 -0.448 19230
1057 1 10 . 1 1 10 10 THR H H 10 8.107 8.107 8.749 -0.642 19230
1058 1 10 . 1 1 11 11 SER N N 11 115.520 115.520 115.573 -0.053 19230
1059 1 10 . 1 1 11 11 SER HA H 11 4.157 4.157 4.752 -0.595 19230
1060 1 10 . 1 1 11 11 SER H H 11 8.216 8.216 7.918 0.298 19230
1061 1 10 . 1 1 12 12 PHE N N 12 123.128 123.128 120.052 3.076 19230
1062 1 10 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.413 -0.395 19230
1063 1 10 . 1 1 12 12 PHE H H 12 8.877 8.877 8.592 0.285 19230
1064 1 10 . 1 1 13 13 ALA N N 13 123.710 123.710 120.127 3.583 19230
1065 1 10 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.187 -0.030 19230
1066 1 10 . 1 1 13 13 ALA H H 13 8.068 8.068 7.501 0.567 19230
1067 1 10 . 1 1 14 14 GLU N N 14 122.703 122.703 116.895 5.808 19230
1068 1 10 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.314 -0.172 19230
1069 1 10 . 1 1 14 14 GLU H H 14 7.934 7.934 7.939 -0.005 19230
1070 1 10 . 1 1 15 15 TYR N N 15 116.589 116.589 119.369 -2.780 19230
1071 1 10 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.420 -0.077 19230
1072 1 10 . 1 1 15 15 TYR H H 15 7.394 7.394 8.229 -0.835 19230
1073 1 10 . 1 1 16 16 TRP N N 16 118.490 118.490 121.854 -3.364 19230
1074 1 10 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.910 -0.876 19230
1075 1 10 . 1 1 16 16 TRP H H 16 7.996 7.996 8.330 -0.334 19230
1076 1 10 . 1 1 17 17 ASN N N 17 110.763 110.763 120.651 -9.888 19230
1077 1 10 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.262 0.066 19230
1078 1 10 . 1 1 17 17 ASN H H 17 8.470 8.470 8.180 0.290 19230
1079 1 10 . 1 1 18 18 LEU N N 18 111.233 111.233 119.333 -8.100 19230
1080 1 10 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.329 -0.558 19230
1081 1 10 . 1 1 18 18 LEU H H 18 8.449 8.449 8.475 -0.026 19230
1082 1 10 . 1 1 19 19 LEU N N 19 113.116 113.116 119.780 -6.664 19230
1083 1 10 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.396 -0.378 19230
1084 1 10 . 1 1 19 19 LEU H H 19 7.456 7.456 7.345 0.111 19230
1085 1 10 . 1 1 20 20 SER N N 20 111.251 111.251 113.808 -2.557 19230
1086 1 10 . 1 1 20 20 SER HA H 20 3.972 3.972 4.190 -0.218 19230
1087 1 10 . 1 1 20 20 SER H H 20 8.003 8.003 7.600 0.403 19230
1088 1 10 . 1 1 21 21 ALA N N 21 123.375 123.375 129.586 -6.211 19230
1089 1 10 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.532 -0.421 19230
1090 1 10 . 1 1 21 21 ALA H H 21 7.442 7.442 8.845 -1.403 19230
1091 1 10 . 1 1 22 22 GLY N N 22 106.566 106.566 106.508 0.058 19230
1092 1 10 . 1 1 22 22 GLY H H 22 7.879 7.879 7.565 0.314 19230
1093 1 10 . 1 1 23 23 GLY N N 23 107.532 107.532 109.616 -2.084 19230
1094 1 10 . 1 1 23 23 GLY H H 23 8.033 8.033 7.738 0.295 19230
1095 1 10 . 1 1 24 24 VAL N N 24 117.804 117.804 117.449 0.355 19230
1096 1 10 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.534 -0.547 19230
1097 1 10 . 1 1 24 24 VAL H H 24 7.950 7.950 7.962 -0.012 19230
1098 1 10 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.218 0.202 19230
1099 1 10 . 1 1 27 27 LYS N N 27 120.668 120.668 114.072 6.596 19230
1100 1 10 . 1 1 27 27 LYS HA H 27 4.096 4.096 4.120 -0.024 19230
1101 1 10 . 1 1 27 27 LYS H H 27 8.125 8.125 8.149 -0.024 19230
1102 1 10 . 1 1 28 28 ILE N N 28 121.619 121.619 117.340 4.279 19230
1103 1 10 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.461 -0.257 19230
1104 1 10 . 1 1 28 28 ILE H H 28 7.550 7.550 8.236 -0.686 19230
1105 1 10 . 1 1 29 29 LEU N N 29 128.057 128.057 127.382 0.675 19230
1106 1 10 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.573 -0.215 19230
1107 1 10 . 1 1 29 29 LEU H H 29 8.593 8.593 8.754 -0.161 19230
1108 1 10 . 1 1 30 30 GLN N N 30 126.353 126.353 120.341 6.012 19230
1109 1 10 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.659 -0.301 19230
1110 1 10 . 1 1 30 30 GLN H H 30 8.817 8.817 8.021 0.796 19230
1111 1 10 . 1 1 31 31 ARG N N 31 127.641 127.641 123.431 4.210 19230
1112 1 10 . 1 1 31 31 ARG HA H 31 4.266 4.266 3.778 0.488 19230
1113 1 10 . 1 1 31 31 ARG H H 31 8.659 8.659 8.367 0.292 19230
1114 1 10 . 1 1 33 33 ARG N N 33 117.135 117.135 120.520 -3.385 19230
1115 1 10 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.349 0.226 19230
1116 1 10 . 1 1 33 33 ARG H H 33 7.952 7.952 8.259 -0.307 19230
1117 1 10 . 1 1 34 34 ARG N N 34 117.368 117.368 117.024 0.344 19230
1118 1 10 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.530 -0.264 19230
1119 1 10 . 1 1 34 34 ARG H H 34 9.221 9.221 8.015 1.206 19230
1120 1 10 . 1 1 35 35 ASP N N 35 124.250 124.250 118.594 5.656 19230
1121 1 10 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.805 -0.246 19230
1122 1 10 . 1 1 35 35 ASP H H 35 9.062 9.062 8.711 0.351 19230
1123 1 10 . 1 1 36 36 SER N N 36 111.255 111.255 115.039 -3.784 19230
1124 1 10 . 1 1 36 36 SER HA H 36 3.957 3.957 4.454 -0.497 19230
1125 1 10 . 1 1 36 36 SER H H 36 8.009 8.009 8.309 -0.300 19230
1126 1 10 . 1 1 37 37 ASP N N 37 120.379 120.379 118.778 1.601 19230
1127 1 10 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.754 -0.380 19230
1128 1 10 . 1 1 37 37 ASP H H 37 7.592 7.592 7.716 -0.124 19230
1129 1 10 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.324 0.346 19230
1130 1 10 . 1 1 40 40 GLY N N 40 107.269 107.269 113.183 -5.914 19230
1131 1 10 . 1 1 40 40 GLY H H 40 8.425 8.425 8.662 -0.237 19230
1132 1 10 . 1 1 41 41 ALA N N 41 125.640 125.640 123.866 1.774 19230
1133 1 10 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.428 -0.209 19230
1134 1 10 . 1 1 41 41 ALA H H 41 8.198 8.198 8.270 -0.072 19230
1135 1 10 . 1 1 43 43 ILE N N 43 114.105 114.105 121.960 -7.855 19230
1136 1 10 . 1 1 43 43 ILE HA H 43 4.250 4.250 3.999 0.251 19230
1137 1 10 . 1 1 43 43 ILE H H 43 8.879 8.879 7.565 1.314 19230
1138 1 10 . 1 1 45 45 ARG N N 45 128.339 128.339 127.828 0.511 19230
1139 1 10 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.069 0.042 19230
1140 1 10 . 1 1 45 45 ARG H H 45 7.988 7.988 8.068 -0.080 19230
1141 1 10 . 1 1 46 46 GLY N N 46 108.569 108.569 112.952 -4.383 19230
1142 1 10 . 1 1 46 46 GLY H H 46 8.891 8.891 8.739 0.152 19230
1143 1 10 . 1 1 47 47 ASN N N 47 115.750 115.750 118.796 -3.046 19230
1144 1 10 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.893 -0.411 19230
1145 1 10 . 1 1 47 47 ASN H H 47 7.648 7.648 7.794 -0.146 19230
1146 1 10 . 1 1 48 48 GLY N N 48 107.292 107.292 106.909 0.383 19230
1147 1 10 . 1 1 48 48 GLY H H 48 8.275 8.275 8.516 -0.241 19230
1148 1 10 . 1 1 49 49 TYR N N 49 116.570 116.570 119.603 -3.033 19230
1149 1 10 . 1 1 49 49 TYR HA H 49 5.054 5.054 4.982 0.071 19230
1150 1 10 . 1 1 49 49 TYR H H 49 7.170 7.170 7.888 -0.718 19230
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 40 3.986 0.485 4.007 19230
2 1 1 "Average Difference" HA 49 0.276 0.105 0.257 19230
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19230
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19230
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19230
6 1 1 "Average Difference" HN 40 0.484 -0.068 0.485 19230
7 1 2 "Average Difference" N 40 4.424 0.391 4.462 19230
8 1 2 "Average Difference" HA 49 0.285 0.112 0.265 19230
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19230
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19230
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19230
12 1 2 "Average Difference" HN 40 0.513 -0.146 0.498 19230
13 1 3 "Average Difference" N 40 3.602 0.150 3.645 19230
14 1 3 "Average Difference" HA 49 0.298 0.112 0.279 19230
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19230
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19230
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19230
18 1 3 "Average Difference" HN 40 0.526 -0.051 0.530 19230
19 1 4 "Average Difference" N 40 4.417 0.609 4.431 19230
20 1 4 "Average Difference" HA 49 0.289 0.085 0.279 19230
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19230
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19230
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19230
24 1 4 "Average Difference" HN 40 0.638 -0.113 0.636 19230
25 1 5 "Average Difference" N 40 4.035 0.552 4.048 19230
26 1 5 "Average Difference" HA 49 0.328 0.137 0.301 19230
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19230
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19230
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19230
30 1 5 "Average Difference" HN 40 0.574 -0.111 0.570 19230
31 1 6 "Average Difference" N 40 4.707 0.257 4.760 19230
32 1 6 "Average Difference" HA 49 0.373 0.144 0.348 19230
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19230
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19230
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19230
36 1 6 "Average Difference" HN 40 0.600 -0.044 0.606 19230
37 1 7 "Average Difference" N 40 4.326 0.623 4.335 19230
38 1 7 "Average Difference" HA 49 0.322 0.127 0.299 19230
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19230
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19230
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19230
42 1 7 "Average Difference" HN 40 0.622 -0.094 0.623 19230
43 1 8 "Average Difference" N 40 3.970 0.295 4.010 19230
44 1 8 "Average Difference" HA 49 0.322 0.112 0.305 19230
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19230
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19230
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19230
48 1 8 "Average Difference" HN 40 0.485 -0.078 0.485 19230
49 1 9 "Average Difference" N 40 4.311 0.802 4.289 19230
50 1 9 "Average Difference" HA 49 0.312 0.125 0.289 19230
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19230
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19230
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19230
54 1 9 "Average Difference" HN 40 0.594 -0.021 0.601 19230
55 1 10 "Average Difference" N 40 4.344 0.491 4.371 19230
56 1 10 "Average Difference" HA 49 0.353 0.169 0.313 19230
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19230
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19230
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19230
60 1 10 "Average Difference" HN 40 0.539 -0.093 0.538 19230
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 19230
_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 GLY N N 2 110.844 110.844 111.383 -0.539 19230
2 1 . 1 1 2 2 GLY H H 2 8.891 8.891 8.656 0.235 19230
3 1 . 1 1 3 3 SER N N 3 115.464 115.464 118.531 -3.067 19230
4 1 . 1 1 3 3 SER HA H 3 4.235 4.235 4.652 -0.417 19230
5 1 . 1 1 3 3 SER H H 3 8.320 8.320 8.306 0.014 19230
6 1 . 1 1 4 4 GLY N N 4 107.189 107.189 109.045 -1.856 19230
7 1 . 1 1 4 4 GLY H H 4 8.571 8.571 7.830 0.741 19230
8 1 . 1 1 5 5 ALA N N 5 122.629 122.629 122.091 0.538 19230
9 1 . 1 1 5 5 ALA HA H 5 3.585 3.585 4.512 -0.927 19230
10 1 . 1 1 5 5 ALA H H 5 9.225 9.225 8.332 0.893 19230
11 1 . 1 1 6 6 SER N N 6 119.024 119.024 118.701 0.323 19230
12 1 . 1 1 6 6 SER HA H 6 4.127 4.127 4.251 -0.124 19230
13 1 . 1 1 6 6 SER H H 6 8.291 8.291 8.578 -0.287 19230
14 1 . 1 1 7 7 LYS N N 7 127.760 127.760 119.981 7.779 19230
15 1 . 1 1 7 7 LYS HA H 7 4.266 4.266 4.347 -0.081 19230
16 1 . 1 1 7 7 LYS H H 7 8.321 8.321 7.891 0.430 19230
17 1 . 1 1 8 8 ALA N N 8 125.595 125.595 122.439 3.156 19230
18 1 . 1 1 8 8 ALA HA H 8 4.219 4.219 4.446 -0.227 19230
19 1 . 1 1 8 8 ALA H H 8 8.200 8.200 7.512 0.688 19230
20 1 . 1 1 10 10 THR N N 10 111.647 111.647 116.723 -5.076 19230
21 1 . 1 1 10 10 THR HA H 10 4.080 4.080 4.530 -0.450 19230
22 1 . 1 1 10 10 THR H H 10 8.107 8.107 8.531 -0.425 19230
23 1 . 1 1 11 11 SER N N 11 115.520 115.520 116.045 -0.524 19230
24 1 . 1 1 11 11 SER HA H 11 4.157 4.157 4.821 -0.664 19230
25 1 . 1 1 11 11 SER H H 11 8.216 8.216 7.711 0.505 19230
26 1 . 1 1 12 12 PHE N N 12 123.128 123.128 123.206 -0.078 19230
27 1 . 1 1 12 12 PHE HA H 12 4.018 4.018 4.286 -0.268 19230
28 1 . 1 1 12 12 PHE H H 12 8.877 8.877 8.761 0.116 19230
29 1 . 1 1 13 13 ALA N N 13 123.710 123.710 119.978 3.733 19230
30 1 . 1 1 13 13 ALA HA H 13 4.157 4.157 4.252 -0.095 19230
31 1 . 1 1 13 13 ALA H H 13 8.068 8.068 8.153 -0.085 19230
32 1 . 1 1 14 14 GLU N N 14 122.703 122.703 118.710 3.993 19230
33 1 . 1 1 14 14 GLU HA H 14 4.142 4.142 4.192 -0.050 19230
34 1 . 1 1 14 14 GLU H H 14 7.934 7.934 8.231 -0.297 19230
35 1 . 1 1 15 15 TYR N N 15 116.589 116.589 119.924 -3.335 19230
36 1 . 1 1 15 15 TYR HA H 15 4.343 4.343 4.320 0.023 19230
37 1 . 1 1 15 15 TYR H H 15 7.394 7.394 8.130 -0.736 19230
38 1 . 1 1 16 16 TRP N N 16 118.490 118.490 120.149 -1.659 19230
39 1 . 1 1 16 16 TRP HA H 16 4.034 4.034 4.420 -0.386 19230
40 1 . 1 1 16 16 TRP H H 16 7.996 7.996 8.034 -0.038 19230
41 1 . 1 1 17 17 ASN N N 17 110.763 110.763 117.906 -7.143 19230
42 1 . 1 1 17 17 ASN HA H 17 4.328 4.328 4.371 -0.043 19230
43 1 . 1 1 17 17 ASN H H 17 8.470 8.470 7.953 0.517 19230
44 1 . 1 1 18 18 LEU N N 18 111.233 111.233 119.421 -8.188 19230
45 1 . 1 1 18 18 LEU HA H 18 3.771 3.771 4.273 -0.502 19230
46 1 . 1 1 18 18 LEU H H 18 8.449 8.449 7.925 0.524 19230
47 1 . 1 1 19 19 LEU N N 19 113.116 113.116 120.166 -7.050 19230
48 1 . 1 1 19 19 LEU HA H 19 4.018 4.018 4.348 -0.331 19230
49 1 . 1 1 19 19 LEU H H 19 7.456 7.456 7.684 -0.228 19230
50 1 . 1 1 20 20 SER N N 20 111.251 111.251 113.091 -1.840 19230
51 1 . 1 1 20 20 SER HA H 20 3.972 3.972 4.013 -0.041 19230
52 1 . 1 1 20 20 SER H H 20 8.003 8.003 7.647 0.356 19230
53 1 . 1 1 21 21 ALA N N 21 123.375 123.375 124.467 -1.092 19230
54 1 . 1 1 21 21 ALA HA H 21 4.111 4.111 4.378 -0.267 19230
55 1 . 1 1 21 21 ALA H H 21 7.442 7.442 7.963 -0.521 19230
56 1 . 1 1 22 22 GLY N N 22 106.566 106.566 109.779 -3.213 19230
57 1 . 1 1 22 22 GLY H H 22 7.879 7.879 8.384 -0.505 19230
58 1 . 1 1 23 23 GLY N N 23 107.532 107.532 109.643 -2.111 19230
59 1 . 1 1 23 23 GLY H H 23 8.033 8.033 7.789 0.244 19230
60 1 . 1 1 24 24 VAL N N 24 117.804 117.804 119.845 -2.041 19230
61 1 . 1 1 24 24 VAL HA H 24 3.987 3.987 4.277 -0.290 19230
62 1 . 1 1 24 24 VAL H H 24 7.950 7.950 7.993 -0.043 19230
63 1 . 1 1 26 26 PRO HA H 26 4.420 4.420 4.349 0.071 19230
64 1 . 1 1 27 27 LYS N N 27 120.668 120.668 114.431 6.236 19230
65 1 . 1 1 27 27 LYS HA H 27 4.096 4.096 3.988 0.108 19230
66 1 . 1 1 27 27 LYS H H 27 8.125 8.125 8.133 -0.008 19230
67 1 . 1 1 28 28 ILE N N 28 121.619 121.619 117.146 4.473 19230
68 1 . 1 1 28 28 ILE HA H 28 4.204 4.204 4.148 0.056 19230
69 1 . 1 1 28 28 ILE H H 28 7.550 7.550 8.019 -0.469 19230
70 1 . 1 1 29 29 LEU N N 29 128.057 128.057 122.500 5.557 19230
71 1 . 1 1 29 29 LEU HA H 29 4.358 4.358 4.353 0.005 19230
72 1 . 1 1 29 29 LEU H H 29 8.593 8.593 8.329 0.264 19230
73 1 . 1 1 30 30 GLN N N 30 126.353 126.353 120.348 6.005 19230
74 1 . 1 1 30 30 GLN HA H 30 4.358 4.358 4.284 0.074 19230
75 1 . 1 1 30 30 GLN H H 30 8.817 8.817 7.946 0.871 19230
76 1 . 1 1 31 31 ARG N N 31 127.641 127.641 125.531 2.110 19230
77 1 . 1 1 31 31 ARG HA H 31 4.266 4.266 4.232 0.034 19230
78 1 . 1 1 31 31 ARG H H 31 8.659 8.659 8.547 0.112 19230
79 1 . 1 1 33 33 ARG N N 33 117.135 117.135 119.372 -2.237 19230
80 1 . 1 1 33 33 ARG HA H 33 4.575 4.575 4.424 0.151 19230
81 1 . 1 1 33 33 ARG H H 33 7.952 7.952 8.438 -0.486 19230
82 1 . 1 1 34 34 ARG N N 34 117.368 117.368 118.141 -0.773 19230
83 1 . 1 1 34 34 ARG HA H 34 4.266 4.266 4.514 -0.248 19230
84 1 . 1 1 34 34 ARG H H 34 9.221 9.221 8.031 1.190 19230
85 1 . 1 1 35 35 ASP N N 35 124.250 124.250 117.743 6.506 19230
86 1 . 1 1 35 35 ASP HA H 35 4.559 4.559 4.720 -0.161 19230
87 1 . 1 1 35 35 ASP H H 35 9.062 9.062 8.581 0.481 19230
88 1 . 1 1 36 36 SER N N 36 111.255 111.255 115.488 -4.233 19230
89 1 . 1 1 36 36 SER HA H 36 3.957 3.957 4.271 -0.314 19230
90 1 . 1 1 36 36 SER H H 36 8.009 8.009 8.197 -0.188 19230
91 1 . 1 1 37 37 ASP N N 37 120.379 120.379 119.950 0.429 19230
92 1 . 1 1 37 37 ASP HA H 37 4.374 4.374 4.629 -0.255 19230
93 1 . 1 1 37 37 ASP H H 37 7.592 7.592 8.115 -0.523 19230
94 1 . 1 1 39 39 PRO HA H 39 4.670 4.670 4.427 0.243 19230
95 1 . 1 1 40 40 GLY N N 40 107.269 107.269 112.656 -5.386 19230
96 1 . 1 1 40 40 GLY H H 40 8.425 8.425 8.786 -0.361 19230
97 1 . 1 1 41 41 ALA N N 41 125.640 125.640 123.241 2.399 19230
98 1 . 1 1 41 41 ALA HA H 41 4.219 4.219 4.440 -0.221 19230
99 1 . 1 1 41 41 ALA H H 41 8.198 8.198 7.846 0.352 19230
100 1 . 1 1 43 43 ILE N N 43 114.105 114.105 118.201 -4.096 19230
101 1 . 1 1 43 43 ILE HA H 43 4.250 4.250 4.296 -0.045 19230
102 1 . 1 1 43 43 ILE H H 43 8.879 8.879 7.857 1.022 19230
103 1 . 1 1 45 45 ARG N N 45 128.339 128.339 126.734 1.605 19230
104 1 . 1 1 45 45 ARG HA H 45 4.111 4.111 4.150 -0.039 19230
105 1 . 1 1 45 45 ARG H H 45 7.988 7.988 8.041 -0.053 19230
106 1 . 1 1 46 46 GLY N N 46 108.569 108.569 112.974 -4.405 19230
107 1 . 1 1 46 46 GLY H H 46 8.891 8.891 8.924 -0.033 19230
108 1 . 1 1 47 47 ASN N N 47 115.750 115.750 119.341 -3.591 19230
109 1 . 1 1 47 47 ASN HA H 47 4.482 4.482 4.620 -0.138 19230
110 1 . 1 1 47 47 ASN H H 47 7.648 7.648 8.086 -0.438 19230
111 1 . 1 1 48 48 GLY N N 48 107.292 107.292 105.187 2.105 19230
112 1 . 1 1 48 48 GLY H H 48 8.275 8.275 8.220 0.055 19230
113 1 . 1 1 49 49 TYR N N 49 116.570 116.570 118.599 -2.029 19230
114 1 . 1 1 49 49 TYR HA H 49 5.054 5.054 5.054 0.000 19230
115 1 . 1 1 49 49 TYR H H 49 7.170 7.170 7.781 -0.610 19230
stop_
save_