============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 35.889 -75.425 52.832 -99.200 -91.000 PHE 11 1.000 37.787 -84.454 57.672 -99.200 -91.000 PHE 18 1.000 29.811 -76.699 58.216 -99.200 -91.000 TYR 22 0.840 24.088 -78.142 56.328 -99.200 -91.000 PHE 44 1.000 14.291-100.260 73.012 -99.200 -91.000 HIS 69 0.900 19.013-110.500 70.440 -99.200 -91.000 TYR 74 0.840 13.405 -95.875 62.665 -99.200 -91.000 HIS 83 0.900 19.336 -98.322 53.607 -99.200 -91.000 PHE 95 1.000 27.709-112.378 66.306 -99.200 -91.000 TYR 99 0.840 30.991-115.370 64.673 -99.200 -91.000 PHE 108 1.000 21.587-104.515 65.880 -99.200 -91.000 TYR 115 0.840 24.637 -99.829 56.148 -99.200 -91.000 HIS 119 0.900 25.448 -95.355 54.109 -99.200 -91.000 TYR 122 0.840 32.954 -94.294 50.398 -99.200 -91.000 PHE 128 1.000 21.806 -94.730 56.994 -99.200 -91.000 PHE 134 1.000 21.399 -99.735 68.738 -99.200 -91.000 HIS 143 0.900 24.490-105.086 77.026 -99.200 -91.000 TYR 145 0.840 25.118 -99.919 72.929 -99.200 -91.000 TYR 153 0.840 28.454 -97.548 68.696 -99.200 -91.000 TRP 154 1.040 29.308 -91.912 72.943 -99.200 -91.000 TRP6 154 1.020 31.547 -92.674 73.034 -99.200 -91.000 TYR 156 0.840 23.401 -92.359 75.182 -99.200 -91.000 HIS 178 0.900 14.584 -87.714 92.159 -99.200 -91.000 TYR 196 0.840 0.132 -89.294 77.574 -99.200 -91.000 HIS 199 0.900 1.958 -84.422 71.876 -99.200 -91.000 PHE 207 1.000 0.788 -88.181 72.571 -99.200 -91.000 TRP 213 1.040 7.662-105.195 77.787 -99.200 -91.000 TRP6 213 1.020 7.201-105.508 80.087 -99.200 -91.000 HIS 223 0.900 10.806-105.386 70.516 -99.200 -91.000 PHE 225 1.000 5.978-103.566 68.804 -99.200 -91.000 PHE 237 1.000 3.027 -93.385 86.509 -99.200 -91.000