============================================================================= 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 35.932 -75.647 52.592 -99.200 -91.000 PHE 11 1.000 37.776 -84.795 57.650 -99.200 -91.000 PHE 18 1.000 29.823 -76.700 57.872 -99.200 -91.000 TYR 22 0.840 24.169 -78.139 56.292 -99.200 -91.000 PHE 44 1.000 14.253-100.284 72.953 -99.200 -91.000 HIS 69 0.900 18.992-110.468 70.599 -99.200 -91.000 TYR 74 0.840 13.636 -95.877 62.603 -99.200 -91.000 HIS 83 0.900 19.428 -98.233 53.465 -99.200 -91.000 PHE 95 1.000 27.571-112.511 66.449 -99.200 -91.000 TYR 99 0.840 30.819-115.540 64.786 -99.200 -91.000 PHE 108 1.000 21.495-104.369 66.185 -99.200 -91.000 TYR 115 0.840 24.694 -99.876 56.200 -99.200 -91.000 HIS 119 0.900 25.418 -95.316 54.177 -99.200 -91.000 TYR 122 0.840 33.041 -94.624 50.558 -99.200 -91.000 PHE 128 1.000 21.855 -94.744 57.081 -99.200 -91.000 PHE 134 1.000 21.262 -99.760 68.687 -99.200 -91.000 HIS 143 0.900 24.398-104.989 77.060 -99.200 -91.000 TYR 145 0.840 25.055 -99.865 72.983 -99.200 -91.000 TYR 153 0.840 28.669 -97.648 68.817 -99.200 -91.000 TRP 154 1.040 29.491 -91.879 73.062 -99.200 -91.000 TRP6 154 1.020 31.746 -92.570 72.996 -99.200 -91.000 TYR 156 0.840 23.307 -92.395 75.199 -99.200 -91.000 HIS 178 0.900 14.059 -87.657 92.144 -99.200 -91.000 TYR 196 0.840 0.477 -89.261 77.697 -99.200 -91.000 HIS 199 0.900 2.044 -84.282 71.880 -99.200 -91.000 PHE 207 1.000 0.922 -88.217 73.304 -99.200 -91.000 TRP 213 1.040 7.757-105.182 77.946 -99.200 -91.000 TRP6 213 1.020 7.318-105.366 80.264 -99.200 -91.000 HIS 223 0.900 11.079-105.142 70.579 -99.200 -91.000 PHE 225 1.000 6.246-103.911 68.793 -99.200 -91.000 PHE 237 1.000 3.113 -93.373 86.818 -99.200 -91.000