============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 14 1.000 -23.248 0.863 25.068 -99.200 -91.000 HIS 28 0.900 -11.796 19.980 19.468 -99.200 -91.000 HIS 33 0.900 -14.783 25.586 9.147 -99.200 -91.000 PHE 38 1.000 -19.080 17.310 19.399 -99.200 -91.000 TYR 41 0.840 -19.037 12.397 21.153 -99.200 -91.000 TRP 55 1.040 -4.946 -10.158 20.393 -99.200 -91.000 TRP6 55 1.020 -5.036 -8.039 21.458 -99.200 -91.000 TYR 58 0.840 -1.523 -3.973 20.132 -99.200 -91.000 HIS 60 0.900 6.162 -10.719 16.053 -99.200 -91.000 HIS 70 0.900 12.163 0.790 30.818 -99.200 -91.000 HIS 72 0.900 5.730 1.062 30.442 -99.200 -91.000 PHE 79 1.000 -12.002 7.982 22.412 -99.200 -91.000 HIS 80 0.900 -7.395 6.891 13.129 -99.200 -91.000 PHE 84 1.000 -7.648 6.742 5.050 -99.200 -91.000 HIS 90 0.900 -14.211 -5.536 7.513 -99.200 -91.000 PHE 93 1.000 -5.431 1.988 13.316 -99.200 -91.000 HIS 97 0.900 -4.001 4.665 3.382 -99.200 -91.000 TYR 99 0.840 0.120 9.784 1.391 -99.200 -91.000 PHE 104 1.000 2.491 16.651 17.045 -99.200 -91.000 TYR 109 0.840 -0.701 12.695 13.172 -99.200 -91.000 PHE 110 1.000 -3.913 5.528 16.850 -99.200 -91.000 TYR 120 0.840 -8.093 15.207 12.107 -99.200 -91.000 TYR 122 0.840 -18.876 13.094 8.291 -99.200 -91.000 HIS 133 0.900 -28.393 15.446 5.763 -99.200 -91.000 TYR 139 0.840 -26.193 19.414 15.553 -99.200 -91.000 HIS 142 0.900 -26.784 6.271 12.346 -99.200 -91.000 PHE 147 1.000 -11.352 3.770 24.193 -99.200 -91.000 PHE 156 1.000 11.343 13.933 20.154 -99.200 -91.000 PHE 159 1.000 7.546 19.732 26.476 -99.200 -91.000 HIS 163 0.900 12.265 5.769 8.571 -99.200 -91.000 HIS 168 0.900 12.884 8.967 21.426 -99.200 -91.000 HIS 169 0.900 10.056 1.633 21.141 -99.200 -91.000 TYR 185 0.840 -0.429 10.026 23.379 -99.200 -91.000 TYR 188 0.840 6.112 8.205 13.319 -99.200 -91.000 TYR 194 0.840 -7.427 -5.754 17.713 -99.200 -91.000 TYR 197 0.840 -13.989 -1.777 23.236 -99.200 -91.000 TYR 201 0.840 -19.523 9.707 16.968 -99.200 -91.000