============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 34.284 -77.030 43.304 -99.200 -91.000 HIS 6 0.900 34.812 -77.688 48.329 -99.200 -91.000 PHE 10 1.000 50.199 -82.489 45.474 -99.200 -91.000 TYR 17 0.840 44.663 -75.220 51.812 -99.200 -91.000 TYR 21 0.840 40.602 -77.128 55.741 -99.200 -91.000 PHE 23 1.000 47.650 -83.999 60.676 -99.200 -91.000 TYR 62 0.840 37.196 -91.131 72.449 -99.200 -91.000 PHE 64 1.000 38.795 -98.173 69.919 -99.200 -91.000 PHE 95 1.000 52.080-109.834 59.877 -99.200 -91.000 TYR 97 0.840 44.522-118.060 57.133 -99.200 -91.000 TYR 99 0.840 52.352-112.333 55.638 -99.200 -91.000 TYR 101 0.840 55.676-112.728 61.827 -99.200 -91.000 TYR 119 0.840 41.697 -94.102 53.707 -99.200 -91.000 TYR 124 0.840 37.076 -94.345 46.391 -99.200 -91.000 PHE 134 1.000 48.075 -98.508 65.563 -99.200 -91.000 TYR 146 0.840 57.064 -98.185 66.056 -99.200 -91.000 TYR 153 0.840 55.572 -88.602 60.399 -99.200 -91.000 TYR 154 0.840 55.358 -96.027 60.158 -99.200 -91.000 TYR 157 0.840 56.103 -90.365 68.082 -99.200 -91.000 HIS 176 0.900 61.845 -88.586 82.998 -99.200 -91.000 PHE 177 1.000 61.772 -89.988 78.453 -99.200 -91.000 HIS 183 0.900 64.514 -97.656 79.836 -99.200 -91.000 TRP 188 1.040 51.863-103.869 85.243 -99.200 -91.000 TRP6 188 1.020 49.832-102.871 85.929 -99.200 -91.000 PHE 194 1.000 57.701 -90.711 84.090 -99.200 -91.000 HIS 198 0.900 56.900 -86.693 84.538 -99.200 -91.000 PHE 207 1.000 44.187 -86.003 85.164 -99.200 -91.000 PHE 222 1.000 46.493-102.477 75.287 -99.200 -91.000 PHE 223 1.000 47.451-105.343 81.777 -99.200 -91.000