============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 2 0.840 -17.255 -4.497 19.499 -99.200 -91.000 PHE 3 1.000 -12.459 -2.018 12.787 -99.200 -91.000 PHE 14 1.000 0.488 14.407 28.476 -99.200 -91.000 HIS 31 0.900 12.438 45.273 40.784 -99.200 -91.000 PHE 33 1.000 10.481 37.065 38.470 -99.200 -91.000 TYR 45 0.840 -10.118 11.464 36.724 -99.200 -91.000 PHE 52 1.000 3.913 26.711 40.013 -99.200 -91.000 TRP 63 1.040 3.748 33.953 44.694 -99.200 -91.000 TRP6 63 1.020 5.128 32.453 43.500 -99.200 -91.000 PHE 74 1.000 0.234 17.241 32.721 -99.200 -91.000 TYR 77 0.840 -8.113 19.102 23.946 -99.200 -91.000 HIS 80 0.900 -17.342 15.863 22.288 -99.200 -91.000 HIS 84 0.900 -11.162 19.018 16.677 -99.200 -91.000 PHE 86 1.000 0.320 22.119 18.940 -99.200 -91.000 PHE 87 1.000 -2.509 22.936 24.076 -99.200 -91.000 TYR 95 0.840 3.176 22.514 24.299 -99.200 -91.000 PHE 102 1.000 0.320 43.378 24.431 -99.200 -91.000 PHE 103 1.000 0.236 41.808 33.566 -99.200 -91.000 TYR 109 0.840 4.508 39.648 33.717 -99.200 -91.000 PHE 117 1.000 5.782 13.475 28.934 -99.200 -91.000 PHE 133 1.000 4.927 44.924 34.025 -99.200 -91.000 HIS 142 0.900 4.427 42.543 45.226 -99.200 -91.000 TYR 146 0.840 -2.056 33.594 46.788 -99.200 -91.000 TYR 148 0.840 -11.902 30.153 40.828 -99.200 -91.000 HIS 151 0.900 -10.637 35.177 33.204 -99.200 -91.000 TYR 154 0.840 -12.790 32.115 24.050 -99.200 -91.000 PHE 168 1.000 -5.275 33.091 28.198 -99.200 -91.000 HIS 172 0.900 -4.358 38.527 37.074 -99.200 -91.000 HIS 184 0.900 -2.781 36.067 29.828 -99.200 -91.000 TYR 185 0.840 -3.400 39.600 22.237 -99.200 -91.000 HIS 202 0.900 -9.795 23.397 20.843 -99.200 -91.000 TYR 203 0.840 -15.066 27.119 25.458 -99.200 -91.000 HIS 220 0.900 4.063 29.228 50.188 -99.200 -91.000 PHE 226 1.000 -9.954 20.285 39.355 -99.200 -91.000