data_18510
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18510
_Entry.PDB_ID 2LU6
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 18510
_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 ASN HA H 2 4.205 4.205 4.717 -0.512 18510
2 1 1 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.904 -3.124 18510
3 1 1 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.609 -0.709 18510
4 1 1 . 1 1 2 2 ASN H H 2 8.461 8.461 8.878 -0.417 18510
5 1 1 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.681 -0.497 18510
6 1 1 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.046 -6.516 18510
7 1 1 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.775 12.825 18510
8 1 1 . 1 1 3 3 CYS H H 3 8.353 8.353 8.499 -0.146 18510
9 1 1 . 1 1 4 4 SER HA H 4 3.876 3.876 4.696 -0.820 18510
10 1 1 . 1 1 4 4 SER CA C 4 55.100 55.100 57.415 -2.315 18510
11 1 1 . 1 1 4 4 SER CB C 4 60.060 60.060 64.513 -4.453 18510
12 1 1 . 1 1 4 4 SER H H 4 7.829 7.829 7.776 0.053 18510
13 1 1 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.113 -0.634 18510
14 1 1 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.335 -3.935 18510
15 1 1 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.363 -3.273 18510
16 1 1 . 1 1 5 5 ARG H H 5 8.119 8.119 8.814 -0.695 18510
17 1 1 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.692 -0.578 18510
18 1 1 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.625 -1.405 18510
19 1 1 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.715 11.285 18510
20 1 1 . 1 1 6 6 TRP H H 6 7.443 7.443 8.250 -0.807 18510
21 1 1 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.577 -0.906 18510
22 1 1 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.007 -2.507 18510
23 1 1 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.603 -2.303 18510
24 1 1 . 1 1 7 7 ALA H H 7 7.176 7.176 8.063 -0.887 18510
25 1 1 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.372 -0.785 18510
26 1 1 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.647 -3.347 18510
27 1 1 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.476 -3.376 18510
28 1 1 . 1 1 8 8 ARG H H 8 7.849 7.849 8.133 -0.284 18510
29 1 1 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.655 -0.652 18510
30 1 1 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.496 -3.486 18510
31 1 1 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.435 -3.635 18510
32 1 1 . 1 1 9 9 ASP H H 9 7.641 7.641 8.284 -0.643 18510
33 1 1 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.430 -0.441 18510
34 1 1 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.965 -6.075 18510
35 1 1 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.005 10.095 18510
36 1 1 . 1 1 10 10 HIS H H 10 7.712 7.712 8.498 -0.786 18510
37 1 1 . 1 1 11 11 SER HA H 11 3.867 3.867 4.389 -0.522 18510
38 1 1 . 1 1 11 11 SER CA C 11 55.840 55.840 58.608 -2.768 18510
39 1 1 . 1 1 11 11 SER CB C 11 60.090 60.090 62.016 -1.926 18510
40 1 1 . 1 1 11 11 SER H H 11 7.768 7.768 8.663 -0.895 18510
41 1 1 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.513 -0.844 18510
42 1 1 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.586 -1.006 18510
43 1 1 . 1 1 12 12 ARG CB C 12 26.900 26.900 28.742 -1.842 18510
44 1 1 . 1 1 12 12 ARG H H 12 8.180 8.180 8.356 -0.176 18510
45 1 1 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.449 -0.435 18510
46 1 1 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.842 -5.182 18510
47 1 1 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.741 14.359 18510
48 1 1 . 1 1 13 13 CYS H H 13 7.897 7.897 8.346 -0.449 18510
49 1 2 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.950 -0.745 18510
50 1 2 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.330 -3.550 18510
51 1 2 . 1 1 2 2 ASN CB C 2 35.900 35.900 38.208 -2.308 18510
52 1 2 . 1 1 2 2 ASN H H 2 8.461 8.461 8.651 -0.190 18510
53 1 2 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.301 -0.117 18510
54 1 2 . 1 1 3 3 CYS CA C 3 51.530 51.530 59.772 -8.242 18510
55 1 2 . 1 1 3 3 CYS CB C 3 37.600 37.600 27.222 10.378 18510
56 1 2 . 1 1 3 3 CYS H H 3 8.353 8.353 7.978 0.375 18510
57 1 2 . 1 1 4 4 SER HA H 4 3.876 3.876 4.393 -0.517 18510
58 1 2 . 1 1 4 4 SER CA C 4 55.100 55.100 58.522 -3.422 18510
59 1 2 . 1 1 4 4 SER CB C 4 60.060 60.060 64.242 -4.182 18510
60 1 2 . 1 1 4 4 SER H H 4 7.829 7.829 8.537 -0.708 18510
61 1 2 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.150 -0.671 18510
62 1 2 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.451 -3.051 18510
63 1 2 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.015 -2.925 18510
64 1 2 . 1 1 5 5 ARG H H 5 8.119 8.119 8.739 -0.620 18510
65 1 2 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.441 -0.327 18510
66 1 2 . 1 1 6 6 TRP CA C 6 54.220 54.220 58.105 -3.885 18510
67 1 2 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.356 10.644 18510
68 1 2 . 1 1 6 6 TRP H H 6 7.443 7.443 7.722 -0.279 18510
69 1 2 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.491 -0.820 18510
70 1 2 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.570 -2.070 18510
71 1 2 . 1 1 7 7 ALA CB C 7 16.300 16.300 20.385 -4.085 18510
72 1 2 . 1 1 7 7 ALA H H 7 7.176 7.176 7.956 -0.780 18510
73 1 2 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.338 -0.751 18510
74 1 2 . 1 1 8 8 ARG CA C 8 54.300 54.300 55.762 -1.462 18510
75 1 2 . 1 1 8 8 ARG CB C 8 27.100 27.100 31.167 -4.067 18510
76 1 2 . 1 1 8 8 ARG H H 8 7.849 7.849 8.612 -0.763 18510
77 1 2 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.377 -0.374 18510
78 1 2 . 1 1 9 9 ASP CA C 9 51.010 51.010 56.626 -5.616 18510
79 1 2 . 1 1 9 9 ASP CB C 9 37.800 37.800 40.792 -2.992 18510
80 1 2 . 1 1 9 9 ASP H H 9 7.641 7.641 8.691 -1.050 18510
81 1 2 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.514 -0.525 18510
82 1 2 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.757 -5.867 18510
83 1 2 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.898 10.202 18510
84 1 2 . 1 1 10 10 HIS H H 10 7.712 7.712 8.047 -0.335 18510
85 1 2 . 1 1 11 11 SER HA H 11 3.867 3.867 4.514 -0.647 18510
86 1 2 . 1 1 11 11 SER CA C 11 55.840 55.840 57.449 -1.609 18510
87 1 2 . 1 1 11 11 SER CB C 11 60.090 60.090 61.934 -1.845 18510
88 1 2 . 1 1 11 11 SER H H 11 7.768 7.768 8.079 -0.311 18510
89 1 2 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.485 -0.816 18510
90 1 2 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.664 -1.084 18510
91 1 2 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.071 -2.171 18510
92 1 2 . 1 1 12 12 ARG H H 12 8.180 8.180 8.054 0.126 18510
93 1 2 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.345 -0.331 18510
94 1 2 . 1 1 13 13 CYS CA C 13 53.660 53.660 59.538 -5.878 18510
95 1 2 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.869 14.230 18510
96 1 2 . 1 1 13 13 CYS H H 13 7.897 7.897 8.312 -0.415 18510
97 1 3 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.674 -0.469 18510
98 1 3 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.817 -3.037 18510
99 1 3 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.982 -1.082 18510
100 1 3 . 1 1 2 2 ASN H H 2 8.461 8.461 8.806 -0.345 18510
101 1 3 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.452 -0.268 18510
102 1 3 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.595 -7.065 18510
103 1 3 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.720 12.880 18510
104 1 3 . 1 1 3 3 CYS H H 3 8.353 8.353 8.187 0.166 18510
105 1 3 . 1 1 4 4 SER HA H 4 3.876 3.876 4.649 -0.773 18510
106 1 3 . 1 1 4 4 SER CA C 4 55.100 55.100 57.660 -2.560 18510
107 1 3 . 1 1 4 4 SER CB C 4 60.060 60.060 64.923 -4.863 18510
108 1 3 . 1 1 4 4 SER H H 4 7.829 7.829 7.912 -0.083 18510
109 1 3 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.140 -0.661 18510
110 1 3 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.074 -3.674 18510
111 1 3 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.321 -3.231 18510
112 1 3 . 1 1 5 5 ARG H H 5 8.119 8.119 8.873 -0.754 18510
113 1 3 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.555 -0.441 18510
114 1 3 . 1 1 6 6 TRP CA C 6 54.220 54.220 58.170 -3.950 18510
115 1 3 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.536 10.464 18510
116 1 3 . 1 1 6 6 TRP H H 6 7.443 7.443 7.919 -0.476 18510
117 1 3 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.513 -0.842 18510
118 1 3 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.586 -2.086 18510
119 1 3 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.158 -1.858 18510
120 1 3 . 1 1 7 7 ALA H H 7 7.176 7.176 8.093 -0.917 18510
121 1 3 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.423 -0.836 18510
122 1 3 . 1 1 8 8 ARG CA C 8 54.300 54.300 55.895 -1.595 18510
123 1 3 . 1 1 8 8 ARG CB C 8 27.100 27.100 31.148 -4.048 18510
124 1 3 . 1 1 8 8 ARG H H 8 7.849 7.849 7.975 -0.126 18510
125 1 3 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.558 -0.555 18510
126 1 3 . 1 1 9 9 ASP CA C 9 51.010 51.010 52.913 -1.903 18510
127 1 3 . 1 1 9 9 ASP CB C 9 37.800 37.800 42.657 -4.857 18510
128 1 3 . 1 1 9 9 ASP H H 9 7.641 7.641 8.370 -0.729 18510
129 1 3 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.506 -0.517 18510
130 1 3 . 1 1 10 10 HIS CA C 10 50.890 50.890 57.239 -6.349 18510
131 1 3 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.231 9.869 18510
132 1 3 . 1 1 10 10 HIS H H 10 7.712 7.712 8.305 -0.593 18510
133 1 3 . 1 1 11 11 SER HA H 11 3.867 3.867 4.517 -0.650 18510
134 1 3 . 1 1 11 11 SER CA C 11 55.840 55.840 58.138 -2.298 18510
135 1 3 . 1 1 11 11 SER CB C 11 60.090 60.090 62.757 -2.667 18510
136 1 3 . 1 1 11 11 SER H H 11 7.768 7.768 8.253 -0.485 18510
137 1 3 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.528 -0.859 18510
138 1 3 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.561 -0.981 18510
139 1 3 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.121 -2.221 18510
140 1 3 . 1 1 12 12 ARG H H 12 8.180 8.180 8.492 -0.312 18510
141 1 3 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.655 -0.641 18510
142 1 3 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.425 -3.765 18510
143 1 3 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.594 15.506 18510
144 1 3 . 1 1 13 13 CYS H H 13 7.897 7.897 8.525 -0.628 18510
145 1 4 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.742 -0.537 18510
146 1 4 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.919 -3.139 18510
147 1 4 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.113 -1.213 18510
148 1 4 . 1 1 2 2 ASN H H 2 8.461 8.461 8.815 -0.354 18510
149 1 4 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.425 -0.241 18510
150 1 4 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.398 -6.868 18510
151 1 4 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.609 12.991 18510
152 1 4 . 1 1 3 3 CYS H H 3 8.353 8.353 7.906 0.447 18510
153 1 4 . 1 1 4 4 SER HA H 4 3.876 3.876 4.607 -0.731 18510
154 1 4 . 1 1 4 4 SER CA C 4 55.100 55.100 57.952 -2.852 18510
155 1 4 . 1 1 4 4 SER CB C 4 60.060 60.060 64.514 -4.455 18510
156 1 4 . 1 1 4 4 SER H H 4 7.829 7.829 8.109 -0.280 18510
157 1 4 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.028 -0.549 18510
158 1 4 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.216 -3.816 18510
159 1 4 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.186 -3.095 18510
160 1 4 . 1 1 5 5 ARG H H 5 8.119 8.119 8.773 -0.654 18510
161 1 4 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.683 -0.569 18510
162 1 4 . 1 1 6 6 TRP CA C 6 54.220 54.220 57.708 -3.488 18510
163 1 4 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.599 10.401 18510
164 1 4 . 1 1 6 6 TRP H H 6 7.443 7.443 7.707 -0.264 18510
165 1 4 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.773 -1.102 18510
166 1 4 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.292 -1.792 18510
167 1 4 . 1 1 7 7 ALA CB C 7 16.300 16.300 17.324 -1.024 18510
168 1 4 . 1 1 7 7 ALA H H 7 7.176 7.176 8.192 -1.016 18510
169 1 4 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.292 -0.705 18510
170 1 4 . 1 1 8 8 ARG CA C 8 54.300 54.300 55.675 -1.375 18510
171 1 4 . 1 1 8 8 ARG CB C 8 27.100 27.100 31.430 -4.330 18510
172 1 4 . 1 1 8 8 ARG H H 8 7.849 7.849 7.628 0.221 18510
173 1 4 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.607 -0.604 18510
174 1 4 . 1 1 9 9 ASP CA C 9 51.010 51.010 53.728 -2.718 18510
175 1 4 . 1 1 9 9 ASP CB C 9 37.800 37.800 40.624 -2.824 18510
176 1 4 . 1 1 9 9 ASP H H 9 7.641 7.641 8.941 -1.300 18510
177 1 4 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.721 -0.732 18510
178 1 4 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.197 -5.307 18510
179 1 4 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.870 10.230 18510
180 1 4 . 1 1 10 10 HIS H H 10 7.712 7.712 7.838 -0.126 18510
181 1 4 . 1 1 11 11 SER HA H 11 3.867 3.867 4.404 -0.537 18510
182 1 4 . 1 1 11 11 SER CA C 11 55.840 55.840 58.867 -3.027 18510
183 1 4 . 1 1 11 11 SER CB C 11 60.090 60.090 63.176 -3.086 18510
184 1 4 . 1 1 11 11 SER H H 11 7.768 7.768 8.153 -0.385 18510
185 1 4 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.529 -0.860 18510
186 1 4 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.740 -1.160 18510
187 1 4 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.101 -2.201 18510
188 1 4 . 1 1 12 12 ARG H H 12 8.180 8.180 8.730 -0.550 18510
189 1 4 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.720 -0.706 18510
190 1 4 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.625 -4.965 18510
191 1 4 . 1 1 13 13 CYS CB C 13 40.100 40.100 26.132 13.968 18510
192 1 4 . 1 1 13 13 CYS H H 13 7.897 7.897 8.705 -0.808 18510
193 1 5 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.833 -0.628 18510
194 1 5 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.711 -2.931 18510
195 1 5 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.670 -0.770 18510
196 1 5 . 1 1 2 2 ASN H H 2 8.461 8.461 8.814 -0.353 18510
197 1 5 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.463 -0.279 18510
198 1 5 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.033 -6.503 18510
199 1 5 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.634 12.966 18510
200 1 5 . 1 1 3 3 CYS H H 3 8.353 8.353 7.945 0.408 18510
201 1 5 . 1 1 4 4 SER HA H 4 3.876 3.876 4.671 -0.795 18510
202 1 5 . 1 1 4 4 SER CA C 4 55.100 55.100 57.258 -2.158 18510
203 1 5 . 1 1 4 4 SER CB C 4 60.060 60.060 64.874 -4.814 18510
204 1 5 . 1 1 4 4 SER H H 4 7.829 7.829 7.819 0.010 18510
205 1 5 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.114 -0.635 18510
206 1 5 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.956 -3.556 18510
207 1 5 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.213 -3.123 18510
208 1 5 . 1 1 5 5 ARG H H 5 8.119 8.119 8.902 -0.783 18510
209 1 5 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.682 -0.568 18510
210 1 5 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.933 -1.713 18510
211 1 5 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.034 10.966 18510
212 1 5 . 1 1 6 6 TRP H H 6 7.443 7.443 8.037 -0.594 18510
213 1 5 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.650 -0.979 18510
214 1 5 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.912 -2.412 18510
215 1 5 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.722 -2.422 18510
216 1 5 . 1 1 7 7 ALA H H 7 7.176 7.176 7.430 -0.254 18510
217 1 5 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.337 -0.750 18510
218 1 5 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.167 -2.868 18510
219 1 5 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.851 -3.751 18510
220 1 5 . 1 1 8 8 ARG H H 8 7.849 7.849 8.305 -0.456 18510
221 1 5 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.668 -0.665 18510
222 1 5 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.550 -3.540 18510
223 1 5 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.832 -4.032 18510
224 1 5 . 1 1 9 9 ASP H H 9 7.641 7.641 8.294 -0.653 18510
225 1 5 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.504 -0.515 18510
226 1 5 . 1 1 10 10 HIS CA C 10 50.890 50.890 57.245 -6.356 18510
227 1 5 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.095 10.005 18510
228 1 5 . 1 1 10 10 HIS H H 10 7.712 7.712 8.541 -0.829 18510
229 1 5 . 1 1 11 11 SER HA H 11 3.867 3.867 4.253 -0.386 18510
230 1 5 . 1 1 11 11 SER CA C 11 55.840 55.840 59.164 -3.324 18510
231 1 5 . 1 1 11 11 SER CB C 11 60.090 60.090 61.505 -1.415 18510
232 1 5 . 1 1 11 11 SER H H 11 7.768 7.768 8.651 -0.883 18510
233 1 5 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.665 -0.996 18510
234 1 5 . 1 1 12 12 ARG CA C 12 54.580 54.580 54.946 -0.366 18510
235 1 5 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.232 -2.332 18510
236 1 5 . 1 1 12 12 ARG H H 12 8.180 8.180 8.155 0.025 18510
237 1 5 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.504 -0.490 18510
238 1 5 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.757 -5.097 18510
239 1 5 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.595 15.505 18510
240 1 5 . 1 1 13 13 CYS H H 13 7.897 7.897 7.776 0.121 18510
241 1 6 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.824 -0.619 18510
242 1 6 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.445 -3.665 18510
243 1 6 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.009 -1.109 18510
244 1 6 . 1 1 2 2 ASN H H 2 8.461 8.461 8.826 -0.365 18510
245 1 6 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.673 -0.489 18510
246 1 6 . 1 1 3 3 CYS CA C 3 51.530 51.530 57.741 -6.211 18510
247 1 6 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.790 12.810 18510
248 1 6 . 1 1 3 3 CYS H H 3 8.353 8.353 8.148 0.205 18510
249 1 6 . 1 1 4 4 SER HA H 4 3.876 3.876 4.722 -0.846 18510
250 1 6 . 1 1 4 4 SER CA C 4 55.100 55.100 57.415 -2.315 18510
251 1 6 . 1 1 4 4 SER CB C 4 60.060 60.060 64.639 -4.579 18510
252 1 6 . 1 1 4 4 SER H H 4 7.829 7.829 7.829 0.000 18510
253 1 6 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.028 -0.549 18510
254 1 6 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.812 -4.412 18510
255 1 6 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.214 -3.124 18510
256 1 6 . 1 1 5 5 ARG H H 5 8.119 8.119 8.801 -0.682 18510
257 1 6 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.585 -0.471 18510
258 1 6 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.955 -1.735 18510
259 1 6 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.051 11.949 18510
260 1 6 . 1 1 6 6 TRP H H 6 7.443 7.443 8.214 -0.771 18510
261 1 6 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.597 -0.926 18510
262 1 6 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.846 -2.345 18510
263 1 6 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.882 -2.582 18510
264 1 6 . 1 1 7 7 ALA H H 7 7.176 7.176 7.585 -0.409 18510
265 1 6 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.399 -0.812 18510
266 1 6 . 1 1 8 8 ARG CA C 8 54.300 54.300 56.985 -2.685 18510
267 1 6 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.745 -3.645 18510
268 1 6 . 1 1 8 8 ARG H H 8 7.849 7.849 8.351 -0.502 18510
269 1 6 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.616 -0.613 18510
270 1 6 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.429 -3.419 18510
271 1 6 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.742 -3.942 18510
272 1 6 . 1 1 9 9 ASP H H 9 7.641 7.641 8.293 -0.652 18510
273 1 6 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.400 -0.411 18510
274 1 6 . 1 1 10 10 HIS CA C 10 50.890 50.890 57.017 -6.127 18510
275 1 6 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.070 10.030 18510
276 1 6 . 1 1 10 10 HIS H H 10 7.712 7.712 8.440 -0.728 18510
277 1 6 . 1 1 11 11 SER HA H 11 3.867 3.867 4.443 -0.576 18510
278 1 6 . 1 1 11 11 SER CA C 11 55.840 55.840 58.222 -2.382 18510
279 1 6 . 1 1 11 11 SER CB C 11 60.090 60.090 61.458 -1.368 18510
280 1 6 . 1 1 11 11 SER H H 11 7.768 7.768 8.497 -0.729 18510
281 1 6 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.546 -0.877 18510
282 1 6 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.409 -0.829 18510
283 1 6 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.055 -2.155 18510
284 1 6 . 1 1 12 12 ARG H H 12 8.180 8.180 8.066 0.114 18510
285 1 6 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.653 -0.639 18510
286 1 6 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.392 -3.732 18510
287 1 6 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.334 15.767 18510
288 1 6 . 1 1 13 13 CYS H H 13 7.897 7.897 7.938 -0.041 18510
289 1 7 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.807 -0.602 18510
290 1 7 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.089 -3.309 18510
291 1 7 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.461 -1.561 18510
292 1 7 . 1 1 2 2 ASN H H 2 8.461 8.461 8.811 -0.350 18510
293 1 7 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.509 -0.325 18510
294 1 7 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.168 -6.638 18510
295 1 7 . 1 1 3 3 CYS CB C 3 37.600 37.600 25.224 12.376 18510
296 1 7 . 1 1 3 3 CYS H H 3 8.353 8.353 8.124 0.229 18510
297 1 7 . 1 1 4 4 SER HA H 4 3.876 3.876 4.659 -0.783 18510
298 1 7 . 1 1 4 4 SER CA C 4 55.100 55.100 58.175 -3.075 18510
299 1 7 . 1 1 4 4 SER CB C 4 60.060 60.060 63.660 -3.600 18510
300 1 7 . 1 1 4 4 SER H H 4 7.829 7.829 8.232 -0.403 18510
301 1 7 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.099 -0.620 18510
302 1 7 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.418 -4.018 18510
303 1 7 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.254 -3.164 18510
304 1 7 . 1 1 5 5 ARG H H 5 8.119 8.119 8.899 -0.780 18510
305 1 7 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.382 -0.268 18510
306 1 7 . 1 1 6 6 TRP CA C 6 54.220 54.220 58.417 -4.197 18510
307 1 7 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.372 10.628 18510
308 1 7 . 1 1 6 6 TRP H H 6 7.443 7.443 8.245 -0.802 18510
309 1 7 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.361 -0.690 18510
310 1 7 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.355 -2.855 18510
311 1 7 . 1 1 7 7 ALA CB C 7 16.300 16.300 19.064 -2.764 18510
312 1 7 . 1 1 7 7 ALA H H 7 7.176 7.176 7.518 -0.342 18510
313 1 7 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.394 -0.807 18510
314 1 7 . 1 1 8 8 ARG CA C 8 54.300 54.300 55.328 -1.028 18510
315 1 7 . 1 1 8 8 ARG CB C 8 27.100 27.100 31.072 -3.972 18510
316 1 7 . 1 1 8 8 ARG H H 8 7.849 7.849 8.394 -0.545 18510
317 1 7 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.428 -0.425 18510
318 1 7 . 1 1 9 9 ASP CA C 9 51.010 51.010 55.253 -4.243 18510
319 1 7 . 1 1 9 9 ASP CB C 9 37.800 37.800 40.759 -2.959 18510
320 1 7 . 1 1 9 9 ASP H H 9 7.641 7.641 8.210 -0.569 18510
321 1 7 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.382 -0.393 18510
322 1 7 . 1 1 10 10 HIS CA C 10 50.890 50.890 55.769 -4.879 18510
323 1 7 . 1 1 10 10 HIS CB C 10 40.100 40.100 28.857 11.243 18510
324 1 7 . 1 1 10 10 HIS H H 10 7.712 7.712 7.681 0.031 18510
325 1 7 . 1 1 11 11 SER HA H 11 3.867 3.867 4.214 -0.347 18510
326 1 7 . 1 1 11 11 SER CA C 11 55.840 55.840 59.587 -3.747 18510
327 1 7 . 1 1 11 11 SER CB C 11 60.090 60.090 63.311 -3.221 18510
328 1 7 . 1 1 11 11 SER H H 11 7.768 7.768 8.555 -0.787 18510
329 1 7 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.521 -0.852 18510
330 1 7 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.282 -0.702 18510
331 1 7 . 1 1 12 12 ARG CB C 12 26.900 26.900 30.928 -4.028 18510
332 1 7 . 1 1 12 12 ARG H H 12 8.180 8.180 8.373 -0.193 18510
333 1 7 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.524 -0.510 18510
334 1 7 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.206 -4.546 18510
335 1 7 . 1 1 13 13 CYS CB C 13 40.100 40.100 23.953 16.147 18510
336 1 7 . 1 1 13 13 CYS H H 13 7.897 7.897 8.255 -0.358 18510
337 1 8 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.775 -0.570 18510
338 1 8 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.727 -2.947 18510
339 1 8 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.558 -0.658 18510
340 1 8 . 1 1 2 2 ASN H H 2 8.461 8.461 8.967 -0.506 18510
341 1 8 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.556 -0.372 18510
342 1 8 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.126 -6.596 18510
343 1 8 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.634 12.966 18510
344 1 8 . 1 1 3 3 CYS H H 3 8.353 8.353 7.924 0.429 18510
345 1 8 . 1 1 4 4 SER HA H 4 3.876 3.876 4.715 -0.839 18510
346 1 8 . 1 1 4 4 SER CA C 4 55.100 55.100 57.486 -2.386 18510
347 1 8 . 1 1 4 4 SER CB C 4 60.060 60.060 64.169 -4.109 18510
348 1 8 . 1 1 4 4 SER H H 4 7.829 7.829 8.069 -0.240 18510
349 1 8 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.060 -0.581 18510
350 1 8 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.429 -4.029 18510
351 1 8 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.328 -3.238 18510
352 1 8 . 1 1 5 5 ARG H H 5 8.119 8.119 8.762 -0.643 18510
353 1 8 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.668 -0.554 18510
354 1 8 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.678 -1.458 18510
355 1 8 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.608 11.392 18510
356 1 8 . 1 1 6 6 TRP H H 6 7.443 7.443 8.041 -0.598 18510
357 1 8 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.631 -0.960 18510
358 1 8 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.988 -2.488 18510
359 1 8 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.040 -1.740 18510
360 1 8 . 1 1 7 7 ALA H H 7 7.176 7.176 7.884 -0.708 18510
361 1 8 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.381 -0.794 18510
362 1 8 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.025 -2.725 18510
363 1 8 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.783 -3.683 18510
364 1 8 . 1 1 8 8 ARG H H 8 7.849 7.849 8.009 -0.160 18510
365 1 8 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.454 -0.451 18510
366 1 8 . 1 1 9 9 ASP CA C 9 51.010 51.010 53.826 -2.816 18510
367 1 8 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.276 -3.476 18510
368 1 8 . 1 1 9 9 ASP H H 9 7.641 7.641 8.242 -0.601 18510
369 1 8 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.571 -0.582 18510
370 1 8 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.250 -5.360 18510
371 1 8 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.142 9.958 18510
372 1 8 . 1 1 10 10 HIS H H 10 7.712 7.712 8.215 -0.503 18510
373 1 8 . 1 1 11 11 SER HA H 11 3.867 3.867 4.535 -0.668 18510
374 1 8 . 1 1 11 11 SER CA C 11 55.840 55.840 57.957 -2.117 18510
375 1 8 . 1 1 11 11 SER CB C 11 60.090 60.090 61.854 -1.764 18510
376 1 8 . 1 1 11 11 SER H H 11 7.768 7.768 8.239 -0.471 18510
377 1 8 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.524 -0.855 18510
378 1 8 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.349 -0.769 18510
379 1 8 . 1 1 12 12 ARG CB C 12 26.900 26.900 28.762 -1.862 18510
380 1 8 . 1 1 12 12 ARG H H 12 8.180 8.180 7.986 0.194 18510
381 1 8 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.599 -0.585 18510
382 1 8 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.937 -4.277 18510
383 1 8 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.266 15.834 18510
384 1 8 . 1 1 13 13 CYS H H 13 7.897 7.897 8.048 -0.151 18510
385 1 9 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.771 -0.566 18510
386 1 9 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.066 -3.286 18510
387 1 9 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.449 -1.549 18510
388 1 9 . 1 1 2 2 ASN H H 2 8.461 8.461 8.810 -0.349 18510
389 1 9 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.474 -0.290 18510
390 1 9 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.083 -6.553 18510
391 1 9 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.885 12.715 18510
392 1 9 . 1 1 3 3 CYS H H 3 8.353 8.353 8.025 0.328 18510
393 1 9 . 1 1 4 4 SER HA H 4 3.876 3.876 4.542 -0.666 18510
394 1 9 . 1 1 4 4 SER CA C 4 55.100 55.100 58.290 -3.190 18510
395 1 9 . 1 1 4 4 SER CB C 4 60.060 60.060 64.144 -4.084 18510
396 1 9 . 1 1 4 4 SER H H 4 7.829 7.829 8.064 -0.235 18510
397 1 9 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.102 -0.623 18510
398 1 9 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.969 -3.569 18510
399 1 9 . 1 1 5 5 ARG CB C 5 27.090 27.090 29.934 -2.844 18510
400 1 9 . 1 1 5 5 ARG H H 5 8.119 8.119 8.770 -0.651 18510
401 1 9 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.348 -0.234 18510
402 1 9 . 1 1 6 6 TRP CA C 6 54.220 54.220 58.307 -4.087 18510
403 1 9 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.247 10.753 18510
404 1 9 . 1 1 6 6 TRP H H 6 7.443 7.443 7.989 -0.546 18510
405 1 9 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.450 -0.779 18510
406 1 9 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.197 -2.696 18510
407 1 9 . 1 1 7 7 ALA CB C 7 16.300 16.300 17.874 -1.574 18510
408 1 9 . 1 1 7 7 ALA H H 7 7.176 7.176 8.057 -0.881 18510
409 1 9 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.244 -0.657 18510
410 1 9 . 1 1 8 8 ARG CA C 8 54.300 54.300 56.913 -2.614 18510
411 1 9 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.630 -3.530 18510
412 1 9 . 1 1 8 8 ARG H H 8 7.849 7.849 7.909 -0.060 18510
413 1 9 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.614 -0.611 18510
414 1 9 . 1 1 9 9 ASP CA C 9 51.010 51.010 53.380 -2.370 18510
415 1 9 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.459 -3.659 18510
416 1 9 . 1 1 9 9 ASP H H 9 7.641 7.641 8.046 -0.405 18510
417 1 9 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.604 -0.615 18510
418 1 9 . 1 1 10 10 HIS CA C 10 50.890 50.890 55.860 -4.970 18510
419 1 9 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.070 11.030 18510
420 1 9 . 1 1 10 10 HIS H H 10 7.712 7.712 8.613 -0.901 18510
421 1 9 . 1 1 11 11 SER HA H 11 3.867 3.867 4.408 -0.541 18510
422 1 9 . 1 1 11 11 SER CA C 11 55.840 55.840 59.675 -3.835 18510
423 1 9 . 1 1 11 11 SER CB C 11 60.090 60.090 63.844 -3.754 18510
424 1 9 . 1 1 11 11 SER H H 11 7.768 7.768 8.310 -0.542 18510
425 1 9 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.430 -0.761 18510
426 1 9 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.501 -0.921 18510
427 1 9 . 1 1 12 12 ARG CB C 12 26.900 26.900 31.423 -4.523 18510
428 1 9 . 1 1 12 12 ARG H H 12 8.180 8.180 8.090 0.090 18510
429 1 9 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.576 -0.562 18510
430 1 9 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.964 -4.304 18510
431 1 9 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.137 15.963 18510
432 1 9 . 1 1 13 13 CYS H H 13 7.897 7.897 8.839 -0.942 18510
433 1 10 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.790 -0.585 18510
434 1 10 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.207 -3.427 18510
435 1 10 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.530 -1.630 18510
436 1 10 . 1 1 2 2 ASN H H 2 8.461 8.461 8.840 -0.379 18510
437 1 10 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.671 -0.487 18510
438 1 10 . 1 1 3 3 CYS CA C 3 51.530 51.530 57.506 -5.976 18510
439 1 10 . 1 1 3 3 CYS CB C 3 37.600 37.600 25.169 12.431 18510
440 1 10 . 1 1 3 3 CYS H H 3 8.353 8.353 8.059 0.294 18510
441 1 10 . 1 1 4 4 SER HA H 4 3.876 3.876 4.673 -0.797 18510
442 1 10 . 1 1 4 4 SER CA C 4 55.100 55.100 57.684 -2.584 18510
443 1 10 . 1 1 4 4 SER CB C 4 60.060 60.060 64.359 -4.299 18510
444 1 10 . 1 1 4 4 SER H H 4 7.829 7.829 8.175 -0.346 18510
445 1 10 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.074 -0.595 18510
446 1 10 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.367 -3.967 18510
447 1 10 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.266 -3.176 18510
448 1 10 . 1 1 5 5 ARG H H 5 8.119 8.119 8.841 -0.722 18510
449 1 10 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.593 -0.479 18510
450 1 10 . 1 1 6 6 TRP CA C 6 54.220 54.220 56.141 -1.921 18510
451 1 10 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.081 11.919 18510
452 1 10 . 1 1 6 6 TRP H H 6 7.443 7.443 8.253 -0.810 18510
453 1 10 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.664 -0.993 18510
454 1 10 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.436 -1.936 18510
455 1 10 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.344 -2.044 18510
456 1 10 . 1 1 7 7 ALA H H 7 7.176 7.176 7.808 -0.632 18510
457 1 10 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.203 -0.616 18510
458 1 10 . 1 1 8 8 ARG CA C 8 54.300 54.300 58.176 -3.876 18510
459 1 10 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.514 -3.414 18510
460 1 10 . 1 1 8 8 ARG H H 8 7.849 7.849 7.869 -0.020 18510
461 1 10 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.553 -0.550 18510
462 1 10 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.782 -3.772 18510
463 1 10 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.319 -3.519 18510
464 1 10 . 1 1 9 9 ASP H H 9 7.641 7.641 8.324 -0.683 18510
465 1 10 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.704 -0.715 18510
466 1 10 . 1 1 10 10 HIS CA C 10 50.890 50.890 55.017 -4.127 18510
467 1 10 . 1 1 10 10 HIS CB C 10 40.100 40.100 27.377 12.723 18510
468 1 10 . 1 1 10 10 HIS H H 10 7.712 7.712 8.570 -0.858 18510
469 1 10 . 1 1 11 11 SER HA H 11 3.867 3.867 4.543 -0.676 18510
470 1 10 . 1 1 11 11 SER CA C 11 55.840 55.840 58.851 -3.011 18510
471 1 10 . 1 1 11 11 SER CB C 11 60.090 60.090 64.647 -4.557 18510
472 1 10 . 1 1 11 11 SER H H 11 7.768 7.768 8.129 -0.361 18510
473 1 10 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.577 -0.908 18510
474 1 10 . 1 1 12 12 ARG CA C 12 54.580 54.580 54.962 -0.382 18510
475 1 10 . 1 1 12 12 ARG CB C 12 26.900 26.900 31.106 -4.206 18510
476 1 10 . 1 1 12 12 ARG H H 12 8.180 8.180 7.947 0.233 18510
477 1 10 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.654 -0.640 18510
478 1 10 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.252 -4.592 18510
479 1 10 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.051 16.049 18510
480 1 10 . 1 1 13 13 CYS H H 13 7.897 7.897 8.881 -0.984 18510
481 1 11 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.753 -0.548 18510
482 1 11 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.813 -3.033 18510
483 1 11 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.156 -1.256 18510
484 1 11 . 1 1 2 2 ASN H H 2 8.461 8.461 8.904 -0.443 18510
485 1 11 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.563 -0.379 18510
486 1 11 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.346 -6.816 18510
487 1 11 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.504 13.096 18510
488 1 11 . 1 1 3 3 CYS H H 3 8.353 8.353 8.074 0.279 18510
489 1 11 . 1 1 4 4 SER HA H 4 3.876 3.876 4.824 -0.948 18510
490 1 11 . 1 1 4 4 SER CA C 4 55.100 55.100 57.095 -1.995 18510
491 1 11 . 1 1 4 4 SER CB C 4 60.060 60.060 64.517 -4.457 18510
492 1 11 . 1 1 4 4 SER H H 4 7.829 7.829 7.908 -0.079 18510
493 1 11 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.304 -0.825 18510
494 1 11 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.602 -3.202 18510
495 1 11 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.210 -3.120 18510
496 1 11 . 1 1 5 5 ARG H H 5 8.119 8.119 8.797 -0.678 18510
497 1 11 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.399 -0.285 18510
498 1 11 . 1 1 6 6 TRP CA C 6 54.220 54.220 57.797 -3.577 18510
499 1 11 . 1 1 6 6 TRP CB C 6 40.000 40.000 29.543 10.457 18510
500 1 11 . 1 1 6 6 TRP H H 6 7.443 7.443 8.012 -0.569 18510
501 1 11 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.263 -0.592 18510
502 1 11 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.050 -2.550 18510
503 1 11 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.252 -1.952 18510
504 1 11 . 1 1 7 7 ALA H H 7 7.176 7.176 7.986 -0.810 18510
505 1 11 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.090 -0.503 18510
506 1 11 . 1 1 8 8 ARG CA C 8 54.300 54.300 58.504 -4.204 18510
507 1 11 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.805 -3.705 18510
508 1 11 . 1 1 8 8 ARG H H 8 7.849 7.849 8.286 -0.437 18510
509 1 11 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.468 -0.465 18510
510 1 11 . 1 1 9 9 ASP CA C 9 51.010 51.010 56.682 -5.672 18510
511 1 11 . 1 1 9 9 ASP CB C 9 37.800 37.800 40.767 -2.967 18510
512 1 11 . 1 1 9 9 ASP H H 9 7.641 7.641 8.594 -0.953 18510
513 1 11 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.526 -0.537 18510
514 1 11 . 1 1 10 10 HIS CA C 10 50.890 50.890 55.303 -4.413 18510
515 1 11 . 1 1 10 10 HIS CB C 10 40.100 40.100 28.238 11.862 18510
516 1 11 . 1 1 10 10 HIS H H 10 7.712 7.712 8.060 -0.348 18510
517 1 11 . 1 1 11 11 SER HA H 11 3.867 3.867 4.118 -0.251 18510
518 1 11 . 1 1 11 11 SER CA C 11 55.840 55.840 58.559 -2.719 18510
519 1 11 . 1 1 11 11 SER CB C 11 60.090 60.090 62.634 -2.544 18510
520 1 11 . 1 1 11 11 SER H H 11 7.768 7.768 8.208 -0.440 18510
521 1 11 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.410 -0.741 18510
522 1 11 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.372 -0.792 18510
523 1 11 . 1 1 12 12 ARG CB C 12 26.900 26.900 31.078 -4.178 18510
524 1 11 . 1 1 12 12 ARG H H 12 8.180 8.180 8.083 0.097 18510
525 1 11 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.738 -0.724 18510
526 1 11 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.456 -3.796 18510
527 1 11 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.635 15.465 18510
528 1 11 . 1 1 13 13 CYS H H 13 7.897 7.897 8.348 -0.451 18510
529 1 12 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.780 -0.575 18510
530 1 12 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.073 -3.293 18510
531 1 12 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.813 -0.913 18510
532 1 12 . 1 1 2 2 ASN H H 2 8.461 8.461 8.826 -0.365 18510
533 1 12 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.577 -0.393 18510
534 1 12 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.058 -6.528 18510
535 1 12 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.725 12.875 18510
536 1 12 . 1 1 3 3 CYS H H 3 8.353 8.353 8.183 0.170 18510
537 1 12 . 1 1 4 4 SER HA H 4 3.876 3.876 4.582 -0.706 18510
538 1 12 . 1 1 4 4 SER CA C 4 55.100 55.100 57.584 -2.484 18510
539 1 12 . 1 1 4 4 SER CB C 4 60.060 60.060 64.591 -4.530 18510
540 1 12 . 1 1 4 4 SER H H 4 7.829 7.829 7.766 0.063 18510
541 1 12 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.110 -0.631 18510
542 1 12 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.026 -3.626 18510
543 1 12 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.354 -3.264 18510
544 1 12 . 1 1 5 5 ARG H H 5 8.119 8.119 8.719 -0.600 18510
545 1 12 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.632 -0.518 18510
546 1 12 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.926 -1.706 18510
547 1 12 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.434 11.566 18510
548 1 12 . 1 1 6 6 TRP H H 6 7.443 7.443 8.140 -0.697 18510
549 1 12 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.587 -0.916 18510
550 1 12 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.943 -2.443 18510
551 1 12 . 1 1 7 7 ALA CB C 7 16.300 16.300 19.415 -3.115 18510
552 1 12 . 1 1 7 7 ALA H H 7 7.176 7.176 7.591 -0.415 18510
553 1 12 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.375 -0.788 18510
554 1 12 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.379 -3.079 18510
555 1 12 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.528 -3.428 18510
556 1 12 . 1 1 8 8 ARG H H 8 7.849 7.849 8.593 -0.744 18510
557 1 12 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.758 -0.755 18510
558 1 12 . 1 1 9 9 ASP CA C 9 51.010 51.010 53.400 -2.390 18510
559 1 12 . 1 1 9 9 ASP CB C 9 37.800 37.800 42.158 -4.358 18510
560 1 12 . 1 1 9 9 ASP H H 9 7.641 7.641 8.165 -0.524 18510
561 1 12 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.672 -0.683 18510
562 1 12 . 1 1 10 10 HIS CA C 10 50.890 50.890 55.710 -4.820 18510
563 1 12 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.782 10.318 18510
564 1 12 . 1 1 10 10 HIS H H 10 7.712 7.712 8.820 -1.108 18510
565 1 12 . 1 1 11 11 SER HA H 11 3.867 3.867 4.182 -0.315 18510
566 1 12 . 1 1 11 11 SER CA C 11 55.840 55.840 59.333 -3.493 18510
567 1 12 . 1 1 11 11 SER CB C 11 60.090 60.090 63.193 -3.103 18510
568 1 12 . 1 1 11 11 SER H H 11 7.768 7.768 8.577 -0.809 18510
569 1 12 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.290 -0.621 18510
570 1 12 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.407 -0.827 18510
571 1 12 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.778 -2.878 18510
572 1 12 . 1 1 12 12 ARG H H 12 8.180 8.180 7.512 0.668 18510
573 1 12 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.666 -0.652 18510
574 1 12 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.190 -4.530 18510
575 1 12 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.516 15.584 18510
576 1 12 . 1 1 13 13 CYS H H 13 7.897 7.897 8.284 -0.387 18510
577 1 13 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.793 -0.588 18510
578 1 13 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.050 -3.270 18510
579 1 13 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.991 -1.091 18510
580 1 13 . 1 1 2 2 ASN H H 2 8.461 8.461 8.934 -0.473 18510
581 1 13 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.691 -0.507 18510
582 1 13 . 1 1 3 3 CYS CA C 3 51.530 51.530 57.698 -6.168 18510
583 1 13 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.993 12.607 18510
584 1 13 . 1 1 3 3 CYS H H 3 8.353 8.353 8.291 0.062 18510
585 1 13 . 1 1 4 4 SER HA H 4 3.876 3.876 4.763 -0.887 18510
586 1 13 . 1 1 4 4 SER CA C 4 55.100 55.100 57.308 -2.208 18510
587 1 13 . 1 1 4 4 SER CB C 4 60.060 60.060 65.088 -5.028 18510
588 1 13 . 1 1 4 4 SER H H 4 7.829 7.829 7.701 0.128 18510
589 1 13 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.131 -0.652 18510
590 1 13 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.828 -3.428 18510
591 1 13 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.243 -3.153 18510
592 1 13 . 1 1 5 5 ARG H H 5 8.119 8.119 8.821 -0.702 18510
593 1 13 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.614 -0.500 18510
594 1 13 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.921 -1.701 18510
595 1 13 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.204 11.796 18510
596 1 13 . 1 1 6 6 TRP H H 6 7.443 7.443 8.170 -0.727 18510
597 1 13 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.566 -0.895 18510
598 1 13 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.985 -2.485 18510
599 1 13 . 1 1 7 7 ALA CB C 7 16.300 16.300 19.090 -2.790 18510
600 1 13 . 1 1 7 7 ALA H H 7 7.176 7.176 7.515 -0.339 18510
601 1 13 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.446 -0.859 18510
602 1 13 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.761 -3.461 18510
603 1 13 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.511 -3.410 18510
604 1 13 . 1 1 8 8 ARG H H 8 7.849 7.849 8.474 -0.625 18510
605 1 13 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.643 -0.640 18510
606 1 13 . 1 1 9 9 ASP CA C 9 51.010 51.010 53.901 -2.891 18510
607 1 13 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.661 -3.861 18510
608 1 13 . 1 1 9 9 ASP H H 9 7.641 7.641 8.081 -0.440 18510
609 1 13 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.489 -0.500 18510
610 1 13 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.869 -5.979 18510
611 1 13 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.239 9.861 18510
612 1 13 . 1 1 10 10 HIS H H 10 7.712 7.712 8.674 -0.962 18510
613 1 13 . 1 1 11 11 SER HA H 11 3.867 3.867 4.343 -0.476 18510
614 1 13 . 1 1 11 11 SER CA C 11 55.840 55.840 58.863 -3.023 18510
615 1 13 . 1 1 11 11 SER CB C 11 60.090 60.090 62.324 -2.234 18510
616 1 13 . 1 1 11 11 SER H H 11 7.768 7.768 8.410 -0.642 18510
617 1 13 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.499 -0.830 18510
618 1 13 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.786 -1.206 18510
619 1 13 . 1 1 12 12 ARG CB C 12 26.900 26.900 28.975 -2.075 18510
620 1 13 . 1 1 12 12 ARG H H 12 8.180 8.180 8.072 0.108 18510
621 1 13 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.475 -0.461 18510
622 1 13 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.727 -5.067 18510
623 1 13 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.936 14.164 18510
624 1 13 . 1 1 13 13 CYS H H 13 7.897 7.897 8.953 -1.056 18510
625 1 14 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.726 -0.521 18510
626 1 14 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.870 -3.090 18510
627 1 14 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.188 -1.288 18510
628 1 14 . 1 1 2 2 ASN H H 2 8.461 8.461 8.925 -0.464 18510
629 1 14 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.600 -0.416 18510
630 1 14 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.629 -7.099 18510
631 1 14 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.601 12.999 18510
632 1 14 . 1 1 3 3 CYS H H 3 8.353 8.353 8.296 0.057 18510
633 1 14 . 1 1 4 4 SER HA H 4 3.876 3.876 4.767 -0.891 18510
634 1 14 . 1 1 4 4 SER CA C 4 55.100 55.100 57.207 -2.107 18510
635 1 14 . 1 1 4 4 SER CB C 4 60.060 60.060 64.504 -4.444 18510
636 1 14 . 1 1 4 4 SER H H 4 7.829 7.829 7.810 0.019 18510
637 1 14 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.140 -0.661 18510
638 1 14 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.852 -3.453 18510
639 1 14 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.183 -3.093 18510
640 1 14 . 1 1 5 5 ARG H H 5 8.119 8.119 8.720 -0.601 18510
641 1 14 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.619 -0.505 18510
642 1 14 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.865 -1.645 18510
643 1 14 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.451 11.549 18510
644 1 14 . 1 1 6 6 TRP H H 6 7.443 7.443 8.103 -0.660 18510
645 1 14 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.570 -0.899 18510
646 1 14 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.739 -2.239 18510
647 1 14 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.852 -2.552 18510
648 1 14 . 1 1 7 7 ALA H H 7 7.176 7.176 7.678 -0.502 18510
649 1 14 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.346 -0.759 18510
650 1 14 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.369 -3.069 18510
651 1 14 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.786 -3.686 18510
652 1 14 . 1 1 8 8 ARG H H 8 7.849 7.849 8.401 -0.552 18510
653 1 14 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.675 -0.672 18510
654 1 14 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.585 -3.575 18510
655 1 14 . 1 1 9 9 ASP CB C 9 37.800 37.800 42.166 -4.365 18510
656 1 14 . 1 1 9 9 ASP H H 9 7.641 7.641 8.310 -0.669 18510
657 1 14 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.394 -0.405 18510
658 1 14 . 1 1 10 10 HIS CA C 10 50.890 50.890 57.388 -6.497 18510
659 1 14 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.015 10.085 18510
660 1 14 . 1 1 10 10 HIS H H 10 7.712 7.712 8.392 -0.680 18510
661 1 14 . 1 1 11 11 SER HA H 11 3.867 3.867 4.460 -0.593 18510
662 1 14 . 1 1 11 11 SER CA C 11 55.840 55.840 58.125 -2.285 18510
663 1 14 . 1 1 11 11 SER CB C 11 60.090 60.090 62.043 -1.953 18510
664 1 14 . 1 1 11 11 SER H H 11 7.768 7.768 7.697 0.071 18510
665 1 14 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.396 -0.727 18510
666 1 14 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.605 -1.025 18510
667 1 14 . 1 1 12 12 ARG CB C 12 26.900 26.900 31.124 -4.224 18510
668 1 14 . 1 1 12 12 ARG H H 12 8.180 8.180 7.799 0.381 18510
669 1 14 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.631 -0.617 18510
670 1 14 . 1 1 13 13 CYS CA C 13 53.660 53.660 59.016 -5.356 18510
671 1 14 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.926 14.174 18510
672 1 14 . 1 1 13 13 CYS H H 13 7.897 7.897 8.968 -1.071 18510
673 1 15 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.859 -0.654 18510
674 1 15 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.109 -3.329 18510
675 1 15 . 1 1 2 2 ASN CB C 2 35.900 35.900 36.884 -0.984 18510
676 1 15 . 1 1 2 2 ASN H H 2 8.461 8.461 8.793 -0.332 18510
677 1 15 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.524 -0.340 18510
678 1 15 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.357 -6.827 18510
679 1 15 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.797 12.803 18510
680 1 15 . 1 1 3 3 CYS H H 3 8.353 8.353 7.967 0.386 18510
681 1 15 . 1 1 4 4 SER HA H 4 3.876 3.876 4.757 -0.881 18510
682 1 15 . 1 1 4 4 SER CA C 4 55.100 55.100 57.852 -2.752 18510
683 1 15 . 1 1 4 4 SER CB C 4 60.060 60.060 64.629 -4.569 18510
684 1 15 . 1 1 4 4 SER H H 4 7.829 7.829 8.153 -0.324 18510
685 1 15 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.126 -0.647 18510
686 1 15 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.314 -3.914 18510
687 1 15 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.394 -3.304 18510
688 1 15 . 1 1 5 5 ARG H H 5 8.119 8.119 8.733 -0.614 18510
689 1 15 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.547 -0.433 18510
690 1 15 . 1 1 6 6 TRP CA C 6 54.220 54.220 56.237 -2.017 18510
691 1 15 . 1 1 6 6 TRP CB C 6 40.000 40.000 27.999 12.001 18510
692 1 15 . 1 1 6 6 TRP H H 6 7.443 7.443 8.155 -0.712 18510
693 1 15 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.452 -0.781 18510
694 1 15 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.222 -2.722 18510
695 1 15 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.676 -2.376 18510
696 1 15 . 1 1 7 7 ALA H H 7 7.176 7.176 7.788 -0.612 18510
697 1 15 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.494 -0.907 18510
698 1 15 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.475 -3.175 18510
699 1 15 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.916 -3.816 18510
700 1 15 . 1 1 8 8 ARG H H 8 7.849 7.849 8.470 -0.621 18510
701 1 15 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.821 -0.818 18510
702 1 15 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.050 -3.040 18510
703 1 15 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.961 -4.161 18510
704 1 15 . 1 1 9 9 ASP H H 9 7.641 7.641 8.380 -0.739 18510
705 1 15 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.462 -0.473 18510
706 1 15 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.907 -6.017 18510
707 1 15 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.841 10.259 18510
708 1 15 . 1 1 10 10 HIS H H 10 7.712 7.712 8.619 -0.907 18510
709 1 15 . 1 1 11 11 SER HA H 11 3.867 3.867 4.321 -0.454 18510
710 1 15 . 1 1 11 11 SER CA C 11 55.840 55.840 58.845 -3.005 18510
711 1 15 . 1 1 11 11 SER CB C 11 60.090 60.090 61.543 -1.453 18510
712 1 15 . 1 1 11 11 SER H H 11 7.768 7.768 8.546 -0.778 18510
713 1 15 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.493 -0.824 18510
714 1 15 . 1 1 12 12 ARG CA C 12 54.580 54.580 56.004 -1.424 18510
715 1 15 . 1 1 12 12 ARG CB C 12 26.900 26.900 30.825 -3.925 18510
716 1 15 . 1 1 12 12 ARG H H 12 8.180 8.180 7.966 0.214 18510
717 1 15 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.723 -0.709 18510
718 1 15 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.659 -4.999 18510
719 1 15 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.953 14.147 18510
720 1 15 . 1 1 13 13 CYS H H 13 7.897 7.897 8.801 -0.904 18510
721 1 16 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.794 -0.589 18510
722 1 16 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.516 -3.736 18510
723 1 16 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.454 -1.554 18510
724 1 16 . 1 1 2 2 ASN H H 2 8.461 8.461 8.821 -0.360 18510
725 1 16 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.527 -0.343 18510
726 1 16 . 1 1 3 3 CYS CA C 3 51.530 51.530 57.196 -5.665 18510
727 1 16 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.631 12.969 18510
728 1 16 . 1 1 3 3 CYS H H 3 8.353 8.353 7.699 0.654 18510
729 1 16 . 1 1 4 4 SER HA H 4 3.876 3.876 4.659 -0.783 18510
730 1 16 . 1 1 4 4 SER CA C 4 55.100 55.100 57.306 -2.206 18510
731 1 16 . 1 1 4 4 SER CB C 4 60.060 60.060 64.909 -4.849 18510
732 1 16 . 1 1 4 4 SER H H 4 7.829 7.829 7.496 0.333 18510
733 1 16 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.086 -0.607 18510
734 1 16 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.614 -3.214 18510
735 1 16 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.142 -3.052 18510
736 1 16 . 1 1 5 5 ARG H H 5 8.119 8.119 8.683 -0.564 18510
737 1 16 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.677 -0.563 18510
738 1 16 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.818 -1.598 18510
739 1 16 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.587 11.414 18510
740 1 16 . 1 1 6 6 TRP H H 6 7.443 7.443 8.076 -0.633 18510
741 1 16 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.674 -1.003 18510
742 1 16 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.782 -2.282 18510
743 1 16 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.968 -2.668 18510
744 1 16 . 1 1 7 7 ALA H H 7 7.176 7.176 8.052 -0.876 18510
745 1 16 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.439 -0.852 18510
746 1 16 . 1 1 8 8 ARG CA C 8 54.300 54.300 56.588 -2.288 18510
747 1 16 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.660 -3.560 18510
748 1 16 . 1 1 8 8 ARG H H 8 7.849 7.849 8.592 -0.743 18510
749 1 16 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.407 -0.404 18510
750 1 16 . 1 1 9 9 ASP CA C 9 51.010 51.010 52.986 -1.976 18510
751 1 16 . 1 1 9 9 ASP CB C 9 37.800 37.800 42.105 -4.305 18510
752 1 16 . 1 1 9 9 ASP H H 9 7.641 7.641 8.280 -0.639 18510
753 1 16 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.519 -0.530 18510
754 1 16 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.714 -5.824 18510
755 1 16 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.951 10.149 18510
756 1 16 . 1 1 10 10 HIS H H 10 7.712 7.712 8.177 -0.465 18510
757 1 16 . 1 1 11 11 SER HA H 11 3.867 3.867 4.422 -0.555 18510
758 1 16 . 1 1 11 11 SER CA C 11 55.840 55.840 57.833 -1.993 18510
759 1 16 . 1 1 11 11 SER CB C 11 60.090 60.090 61.712 -1.622 18510
760 1 16 . 1 1 11 11 SER H H 11 7.768 7.768 8.373 -0.605 18510
761 1 16 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.842 -1.173 18510
762 1 16 . 1 1 12 12 ARG CA C 12 54.580 54.580 54.732 -0.152 18510
763 1 16 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.849 -2.949 18510
764 1 16 . 1 1 12 12 ARG H H 12 8.180 8.180 7.973 0.207 18510
765 1 16 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.543 -0.529 18510
766 1 16 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.875 -5.215 18510
767 1 16 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.307 15.793 18510
768 1 16 . 1 1 13 13 CYS H H 13 7.897 7.897 7.998 -0.101 18510
769 1 17 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.758 -0.553 18510
770 1 17 . 1 1 2 2 ASN CA C 2 49.780 49.780 52.894 -3.114 18510
771 1 17 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.187 -1.287 18510
772 1 17 . 1 1 2 2 ASN H H 2 8.461 8.461 8.900 -0.439 18510
773 1 17 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.583 -0.399 18510
774 1 17 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.536 -7.006 18510
775 1 17 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.555 13.045 18510
776 1 17 . 1 1 3 3 CYS H H 3 8.353 8.353 8.073 0.280 18510
777 1 17 . 1 1 4 4 SER HA H 4 3.876 3.876 4.778 -0.902 18510
778 1 17 . 1 1 4 4 SER CA C 4 55.100 55.100 57.378 -2.278 18510
779 1 17 . 1 1 4 4 SER CB C 4 60.060 60.060 64.249 -4.189 18510
780 1 17 . 1 1 4 4 SER H H 4 7.829 7.829 8.000 -0.171 18510
781 1 17 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.147 -0.668 18510
782 1 17 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.147 -3.747 18510
783 1 17 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.287 -3.197 18510
784 1 17 . 1 1 5 5 ARG H H 5 8.119 8.119 8.530 -0.411 18510
785 1 17 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.680 -0.566 18510
786 1 17 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.827 -1.607 18510
787 1 17 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.765 11.235 18510
788 1 17 . 1 1 6 6 TRP H H 6 7.443 7.443 8.183 -0.740 18510
789 1 17 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.750 -1.079 18510
790 1 17 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.663 -2.163 18510
791 1 17 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.443 -2.143 18510
792 1 17 . 1 1 7 7 ALA H H 7 7.176 7.176 7.994 -0.818 18510
793 1 17 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.542 -0.955 18510
794 1 17 . 1 1 8 8 ARG CA C 8 54.300 54.300 56.560 -2.260 18510
795 1 17 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.644 -3.544 18510
796 1 17 . 1 1 8 8 ARG H H 8 7.849 7.849 8.020 -0.171 18510
797 1 17 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.522 -0.519 18510
798 1 17 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.387 -3.377 18510
799 1 17 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.901 -4.101 18510
800 1 17 . 1 1 9 9 ASP H H 9 7.641 7.641 8.507 -0.866 18510
801 1 17 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.539 -0.550 18510
802 1 17 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.634 -5.744 18510
803 1 17 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.090 10.010 18510
804 1 17 . 1 1 10 10 HIS H H 10 7.712 7.712 8.428 -0.716 18510
805 1 17 . 1 1 11 11 SER HA H 11 3.867 3.867 4.471 -0.604 18510
806 1 17 . 1 1 11 11 SER CA C 11 55.840 55.840 58.101 -2.261 18510
807 1 17 . 1 1 11 11 SER CB C 11 60.090 60.090 61.956 -1.866 18510
808 1 17 . 1 1 11 11 SER H H 11 7.768 7.768 8.798 -1.030 18510
809 1 17 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.461 -0.792 18510
810 1 17 . 1 1 12 12 ARG CA C 12 54.580 54.580 56.092 -1.512 18510
811 1 17 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.135 -2.235 18510
812 1 17 . 1 1 12 12 ARG H H 12 8.180 8.180 7.844 0.336 18510
813 1 17 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.691 -0.677 18510
814 1 17 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.073 -4.413 18510
815 1 17 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.782 14.319 18510
816 1 17 . 1 1 13 13 CYS H H 13 7.897 7.897 8.275 -0.378 18510
817 1 18 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.874 -0.669 18510
818 1 18 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.333 -3.553 18510
819 1 18 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.795 -1.895 18510
820 1 18 . 1 1 2 2 ASN H H 2 8.461 8.461 8.407 0.054 18510
821 1 18 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.458 -0.274 18510
822 1 18 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.143 -6.613 18510
823 1 18 . 1 1 3 3 CYS CB C 3 37.600 37.600 25.410 12.190 18510
824 1 18 . 1 1 3 3 CYS H H 3 8.353 8.353 7.946 0.407 18510
825 1 18 . 1 1 4 4 SER HA H 4 3.876 3.876 4.612 -0.736 18510
826 1 18 . 1 1 4 4 SER CA C 4 55.100 55.100 57.583 -2.483 18510
827 1 18 . 1 1 4 4 SER CB C 4 60.060 60.060 64.268 -4.208 18510
828 1 18 . 1 1 4 4 SER H H 4 7.829 7.829 7.628 0.201 18510
829 1 18 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.180 -0.701 18510
830 1 18 . 1 1 5 5 ARG CA C 5 54.400 54.400 57.990 -3.590 18510
831 1 18 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.140 -3.050 18510
832 1 18 . 1 1 5 5 ARG H H 5 8.119 8.119 8.670 -0.551 18510
833 1 18 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.567 -0.453 18510
834 1 18 . 1 1 6 6 TRP CA C 6 54.220 54.220 56.138 -1.918 18510
835 1 18 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.410 11.590 18510
836 1 18 . 1 1 6 6 TRP H H 6 7.443 7.443 8.155 -0.712 18510
837 1 18 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.690 -1.019 18510
838 1 18 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.581 -2.081 18510
839 1 18 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.598 -2.297 18510
840 1 18 . 1 1 7 7 ALA H H 7 7.176 7.176 7.747 -0.571 18510
841 1 18 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.307 -0.720 18510
842 1 18 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.813 -3.513 18510
843 1 18 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.766 -3.666 18510
844 1 18 . 1 1 8 8 ARG H H 8 7.849 7.849 8.445 -0.596 18510
845 1 18 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.593 -0.590 18510
846 1 18 . 1 1 9 9 ASP CA C 9 51.010 51.010 52.847 -1.837 18510
847 1 18 . 1 1 9 9 ASP CB C 9 37.800 37.800 42.703 -4.903 18510
848 1 18 . 1 1 9 9 ASP H H 9 7.641 7.641 8.216 -0.575 18510
849 1 18 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.472 -0.483 18510
850 1 18 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.638 -5.748 18510
851 1 18 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.840 10.260 18510
852 1 18 . 1 1 10 10 HIS H H 10 7.712 7.712 8.450 -0.738 18510
853 1 18 . 1 1 11 11 SER HA H 11 3.867 3.867 4.497 -0.630 18510
854 1 18 . 1 1 11 11 SER CA C 11 55.840 55.840 58.244 -2.404 18510
855 1 18 . 1 1 11 11 SER CB C 11 60.090 60.090 62.062 -1.972 18510
856 1 18 . 1 1 11 11 SER H H 11 7.768 7.768 8.270 -0.502 18510
857 1 18 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.460 -0.791 18510
858 1 18 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.622 -1.042 18510
859 1 18 . 1 1 12 12 ARG CB C 12 26.900 26.900 31.174 -4.274 18510
860 1 18 . 1 1 12 12 ARG H H 12 8.180 8.180 7.845 0.335 18510
861 1 18 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.622 -0.608 18510
862 1 18 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.598 -4.938 18510
863 1 18 . 1 1 13 13 CYS CB C 13 40.100 40.100 26.630 13.470 18510
864 1 18 . 1 1 13 13 CYS H H 13 7.897 7.897 8.675 -0.778 18510
865 1 19 . 1 1 2 2 ASN HA H 2 4.205 4.205 4.789 -0.584 18510
866 1 19 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.364 -3.584 18510
867 1 19 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.185 -1.285 18510
868 1 19 . 1 1 2 2 ASN H H 2 8.461 8.461 8.871 -0.410 18510
869 1 19 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.535 -0.351 18510
870 1 19 . 1 1 3 3 CYS CA C 3 51.530 51.530 57.906 -6.376 18510
871 1 19 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.537 13.063 18510
872 1 19 . 1 1 3 3 CYS H H 3 8.353 8.353 8.065 0.288 18510
873 1 19 . 1 1 4 4 SER HA H 4 3.876 3.876 4.619 -0.743 18510
874 1 19 . 1 1 4 4 SER CA C 4 55.100 55.100 57.743 -2.643 18510
875 1 19 . 1 1 4 4 SER CB C 4 60.060 60.060 64.132 -4.072 18510
876 1 19 . 1 1 4 4 SER H H 4 7.829 7.829 8.025 -0.196 18510
877 1 19 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.130 -0.651 18510
878 1 19 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.322 -3.922 18510
879 1 19 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.392 -3.302 18510
880 1 19 . 1 1 5 5 ARG H H 5 8.119 8.119 8.684 -0.565 18510
881 1 19 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.597 -0.483 18510
882 1 19 . 1 1 6 6 TRP CA C 6 54.220 54.220 55.927 -1.707 18510
883 1 19 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.317 11.683 18510
884 1 19 . 1 1 6 6 TRP H H 6 7.443 7.443 8.254 -0.811 18510
885 1 19 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.505 -0.834 18510
886 1 19 . 1 1 7 7 ALA CA C 7 49.500 49.500 52.159 -2.659 18510
887 1 19 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.441 -2.141 18510
888 1 19 . 1 1 7 7 ALA H H 7 7.176 7.176 7.712 -0.536 18510
889 1 19 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.628 -1.041 18510
890 1 19 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.026 -2.726 18510
891 1 19 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.932 -3.832 18510
892 1 19 . 1 1 8 8 ARG H H 8 7.849 7.849 7.982 -0.133 18510
893 1 19 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.683 -0.680 18510
894 1 19 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.105 -3.095 18510
895 1 19 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.901 -4.101 18510
896 1 19 . 1 1 9 9 ASP H H 9 7.641 7.641 8.186 -0.545 18510
897 1 19 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.447 -0.458 18510
898 1 19 . 1 1 10 10 HIS CA C 10 50.890 50.890 57.206 -6.316 18510
899 1 19 . 1 1 10 10 HIS CB C 10 40.100 40.100 30.112 9.988 18510
900 1 19 . 1 1 10 10 HIS H H 10 7.712 7.712 8.450 -0.738 18510
901 1 19 . 1 1 11 11 SER HA H 11 3.867 3.867 4.440 -0.573 18510
902 1 19 . 1 1 11 11 SER CA C 11 55.840 55.840 58.783 -2.943 18510
903 1 19 . 1 1 11 11 SER CB C 11 60.090 60.090 62.070 -1.980 18510
904 1 19 . 1 1 11 11 SER H H 11 7.768 7.768 8.496 -0.728 18510
905 1 19 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.615 -0.946 18510
906 1 19 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.364 -0.784 18510
907 1 19 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.278 -2.378 18510
908 1 19 . 1 1 12 12 ARG H H 12 8.180 8.180 8.048 0.132 18510
909 1 19 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.572 -0.558 18510
910 1 19 . 1 1 13 13 CYS CA C 13 53.660 53.660 57.850 -4.190 18510
911 1 19 . 1 1 13 13 CYS CB C 13 40.100 40.100 24.475 15.625 18510
912 1 19 . 1 1 13 13 CYS H H 13 7.897 7.897 8.446 -0.549 18510
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 18510
2 1 1 "Average Difference" HA 12 0.655 0.636 0.166 18510
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18510
4 1 1 "Average Difference" CA 12 3.842 3.472 1.717 18510
5 1 1 "Average Difference" CB 12 7.461 -2.254 7.429 18510
6 1 1 "Average Difference" HN 12 0.596 0.511 0.321 18510
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18510
8 1 2 "Average Difference" HA 12 0.594 0.553 0.227 18510
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18510
10 1 2 "Average Difference" CA 12 4.353 3.811 2.196 18510
11 1 2 "Average Difference" CB 12 7.125 -1.740 7.217 18510
12 1 2 "Average Difference" HN 12 0.565 0.413 0.403 18510
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18510
14 1 3 "Average Difference" HA 12 0.650 0.626 0.184 18510
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18510
16 1 3 "Average Difference" CA 12 3.720 3.272 1.848 18510
17 1 3 "Average Difference" CB 12 7.659 -1.991 7.725 18510
18 1 3 "Average Difference" HN 12 0.533 0.440 0.315 18510
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18510
20 1 4 "Average Difference" HA 12 0.686 0.656 0.209 18510
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18510
22 1 4 "Average Difference" CA 12 3.738 3.376 1.678 18510
23 1 4 "Average Difference" CB 12 7.358 -2.113 7.362 18510
24 1 4 "Average Difference" HN 12 0.632 0.422 0.491 18510
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18510
26 1 5 "Average Difference" HA 12 0.673 0.641 0.217 18510
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18510
28 1 5 "Average Difference" CA 12 3.822 3.402 1.818 18510
29 1 5 "Average Difference" CB 12 7.671 -2.232 7.665 18510
30 1 5 "Average Difference" HN 12 0.535 0.353 0.420 18510
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18510
32 1 6 "Average Difference" HA 12 0.673 0.652 0.172 18510
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18510
34 1 6 "Average Difference" CA 12 3.675 3.321 1.643 18510
35 1 6 "Average Difference" CB 12 7.800 -2.338 7.772 18510
36 1 6 "Average Difference" HN 12 0.513 0.380 0.360 18510
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18510
38 1 7 "Average Difference" HA 12 0.585 0.552 0.203 18510
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18510
40 1 7 "Average Difference" CA 12 3.921 3.603 1.614 18510
41 1 7 "Average Difference" CB 12 7.839 -2.094 7.890 18510
42 1 7 "Average Difference" HN 12 0.509 0.406 0.321 18510
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18510
44 1 8 "Average Difference" HA 12 0.672 0.651 0.176 18510
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18510
46 1 8 "Average Difference" CA 12 3.534 3.164 1.645 18510
47 1 8 "Average Difference" CB 12 7.696 -2.468 7.614 18510
48 1 8 "Average Difference" HN 12 0.474 0.330 0.355 18510
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18510
50 1 9 "Average Difference" HA 12 0.596 0.575 0.164 18510
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18510
52 1 9 "Average Difference" CA 12 3.784 3.533 1.417 18510
53 1 9 "Average Difference" CB 12 7.873 -2.079 7.931 18510
54 1 9 "Average Difference" HN 12 0.574 0.425 0.403 18510
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18510
56 1 10 "Average Difference" HA 12 0.687 0.670 0.160 18510
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18510
58 1 10 "Average Difference" CA 12 3.581 3.298 1.458 18510
59 1 10 "Average Difference" CB 12 8.236 -2.190 8.292 18510
60 1 10 "Average Difference" HN 12 0.597 0.439 0.423 18510
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18510
62 1 11 "Average Difference" HA 12 0.602 0.567 0.213 18510
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18510
64 1 11 "Average Difference" CA 12 3.883 3.564 1.610 18510
65 1 11 "Average Difference" CB 12 7.864 -2.225 7.878 18510
66 1 11 "Average Difference" HN 12 0.528 0.403 0.357 18510
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18510
68 1 12 "Average Difference" HA 12 0.649 0.629 0.166 18510
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18510
70 1 12 "Average Difference" CA 12 3.576 3.268 1.517 18510
71 1 12 "Average Difference" CB 12 7.849 -2.063 7.909 18510
72 1 12 "Average Difference" HN 12 0.612 0.396 0.487 18510
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18510
74 1 13 "Average Difference" HA 12 0.670 0.650 0.173 18510
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18510
76 1 13 "Average Difference" CA 12 3.728 3.407 1.580 18510
77 1 13 "Average Difference" CB 12 7.505 -2.065 7.536 18510
78 1 13 "Average Difference" HN 12 0.607 0.472 0.399 18510
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18510
80 1 14 "Average Difference" HA 12 0.658 0.639 0.164 18510
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18510
82 1 14 "Average Difference" CA 12 3.909 3.453 1.914 18510
83 1 14 "Average Difference" CB 12 7.620 -1.933 7.698 18510
84 1 14 "Average Difference" HN 12 0.561 0.389 0.422 18510
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18510
86 1 15 "Average Difference" HA 12 0.686 0.660 0.193 18510
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18510
88 1 15 "Average Difference" CA 12 3.912 3.602 1.595 18510
89 1 15 "Average Difference" CB 12 7.644 -2.052 7.691 18510
90 1 15 "Average Difference" HN 12 0.635 0.495 0.416 18510
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18510
92 1 16 "Average Difference" HA 12 0.701 0.661 0.245 18510
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18510
94 1 16 "Average Difference" CA 12 3.455 3.012 1.767 18510
95 1 16 "Average Difference" CB 12 7.830 -2.147 7.865 18510
96 1 16 "Average Difference" HN 12 0.559 0.316 0.482 18510
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18510
98 1 17 "Average Difference" HA 12 0.716 0.689 0.203 18510
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18510
100 1 17 "Average Difference" CA 12 3.670 3.290 1.699 18510
101 1 17 "Average Difference" CB 12 7.492 -2.170 7.489 18510
102 1 17 "Average Difference" HN 12 0.598 0.427 0.438 18510
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18510
104 1 18 "Average Difference" HA 12 0.664 0.639 0.187 18510
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18510
106 1 18 "Average Difference" CA 12 3.690 3.310 1.704 18510
107 1 18 "Average Difference" CB 12 7.445 -1.770 7.553 18510
108 1 18 "Average Difference" HN 12 0.544 0.336 0.447 18510
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18510
110 1 19 "Average Difference" HA 12 0.687 0.659 0.204 18510
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18510
112 1 19 "Average Difference" CA 12 3.759 3.412 1.648 18510
113 1 19 "Average Difference" CB 12 7.777 -2.272 7.769 18510
114 1 19 "Average Difference" HN 12 0.521 0.399 0.350 18510
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 18510
_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 ASN HA H 2 4.205 4.205 4.790 -0.585 18510
2 1 . 1 1 2 2 ASN CA C 2 49.780 49.780 53.065 -3.285 18510
3 1 . 1 1 2 2 ASN CB C 2 35.900 35.900 37.171 -1.271 18510
4 1 . 1 1 2 2 ASN H H 2 8.461 8.461 8.821 -0.360 18510
5 1 . 1 1 3 3 CYS HA H 3 4.184 4.184 4.540 -0.356 18510
6 1 . 1 1 3 3 CYS CA C 3 51.530 51.530 58.176 -6.646 18510
7 1 . 1 1 3 3 CYS CB C 3 37.600 37.600 24.917 12.683 18510
8 1 . 1 1 3 3 CYS H H 3 8.353 8.353 8.073 0.280 18510
9 1 . 1 1 4 4 SER HA H 4 3.876 3.876 4.668 -0.792 18510
10 1 . 1 1 4 4 SER CA C 4 55.100 55.100 57.627 -2.527 18510
11 1 . 1 1 4 4 SER CB C 4 60.060 60.060 64.470 -4.410 18510
12 1 . 1 1 4 4 SER H H 4 7.829 7.829 7.948 -0.119 18510
13 1 . 1 1 5 5 ARG HA H 5 3.479 3.479 4.119 -0.640 18510
14 1 . 1 1 5 5 ARG CA C 5 54.400 54.400 58.091 -3.691 18510
15 1 . 1 1 5 5 ARG CB C 5 27.090 27.090 30.234 -3.144 18510
16 1 . 1 1 5 5 ARG H H 5 8.119 8.119 8.765 -0.646 18510
17 1 . 1 1 6 6 TRP HA H 6 4.114 4.114 4.577 -0.463 18510
18 1 . 1 1 6 6 TRP CA C 6 54.220 54.220 56.605 -2.385 18510
19 1 . 1 1 6 6 TRP CB C 6 40.000 40.000 28.753 11.247 18510
20 1 . 1 1 6 6 TRP H H 6 7.443 7.443 8.086 -0.643 18510
21 1 . 1 1 7 7 ALA HA H 7 3.671 3.671 4.567 -0.896 18510
22 1 . 1 1 7 7 ALA CA C 7 49.500 49.500 51.859 -2.358 18510
23 1 . 1 1 7 7 ALA CB C 7 16.300 16.300 18.638 -2.338 18510
24 1 . 1 1 7 7 ALA H H 7 7.176 7.176 7.824 -0.648 18510
25 1 . 1 1 8 8 ARG HA H 8 3.587 3.587 4.371 -0.784 18510
26 1 . 1 1 8 8 ARG CA C 8 54.300 54.300 57.003 -2.703 18510
27 1 . 1 1 8 8 ARG CB C 8 27.100 27.100 30.809 -3.709 18510
28 1 . 1 1 8 8 ARG H H 8 7.849 7.849 8.234 -0.385 18510
29 1 . 1 1 9 9 ASP HA H 9 4.003 4.003 4.584 -0.581 18510
30 1 . 1 1 9 9 ASP CA C 9 51.010 51.010 54.259 -3.249 18510
31 1 . 1 1 9 9 ASP CB C 9 37.800 37.800 41.643 -3.843 18510
32 1 . 1 1 9 9 ASP H H 9 7.641 7.641 8.338 -0.697 18510
33 1 . 1 1 10 10 HIS HA H 10 3.989 3.989 4.519 -0.530 18510
34 1 . 1 1 10 10 HIS CA C 10 50.890 50.890 56.510 -5.620 18510
35 1 . 1 1 10 10 HIS CB C 10 40.100 40.100 29.670 10.430 18510
36 1 . 1 1 10 10 HIS H H 10 7.712 7.712 8.359 -0.647 18510
37 1 . 1 1 11 11 SER HA H 11 3.867 3.867 4.393 -0.526 18510
38 1 . 1 1 11 11 SER CA C 11 55.840 55.840 58.590 -2.750 18510
39 1 . 1 1 11 11 SER CB C 11 60.090 60.090 62.423 -2.333 18510
40 1 . 1 1 11 11 SER H H 11 7.768 7.768 8.363 -0.595 18510
41 1 . 1 1 12 12 ARG HA H 12 3.669 3.669 4.515 -0.846 18510
42 1 . 1 1 12 12 ARG CA C 12 54.580 54.580 55.473 -0.893 18510
43 1 . 1 1 12 12 ARG CB C 12 26.900 26.900 29.882 -2.982 18510
44 1 . 1 1 12 12 ARG H H 12 8.180 8.180 8.073 0.107 18510
45 1 . 1 1 13 13 CYS HA H 13 4.014 4.014 4.597 -0.583 18510
46 1 . 1 1 13 13 CYS CA C 13 53.660 53.660 58.336 -4.676 18510
47 1 . 1 1 13 13 CYS CB C 13 40.100 40.100 25.044 15.056 18510
48 1 . 1 1 13 13 CYS H H 13 7.897 7.897 8.441 -0.544 18510
stop_
save_