============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 6 1.000 18.472 41.498 59.774 -99.200 -91.000 PHE 8 1.000 22.578 47.114 60.132 -99.200 -91.000 PHE 17 1.000 14.517 53.847 75.345 -99.200 -91.000 TYR 23 0.840 12.120 41.780 70.176 -99.200 -91.000 HIS 29 0.900 12.097 36.121 65.395 -99.200 -91.000 TYR 33 0.840 24.748 42.057 62.788 -99.200 -91.000 TYR 44 0.840 27.138 43.993 59.578 -99.200 -91.000 TYR 50 0.840 21.743 41.976 46.745 -99.200 -91.000 PHE 63 1.000 16.664 52.208 65.891 -99.200 -91.000 PHE 76 1.000 19.025 56.817 57.925 -99.200 -91.000 PHE 83 1.000 18.448 50.822 51.354 -99.200 -91.000 PHE 84 1.000 21.217 47.342 43.140 -99.200 -91.000 PHE 87 1.000 17.715 43.987 43.472 -99.200 -91.000 PHE 167 1.000 17.101 68.606 58.936 -99.200 -91.000 HIS 190 0.900 5.485 85.738 69.844 -99.200 -91.000 PHE 191 1.000 5.672 79.548 70.020 -99.200 -91.000 PHE 193 1.000 11.063 74.164 71.444 -99.200 -91.000 TRP 208 1.040 10.590 80.503 82.716 -99.200 -91.000 TRP6 208 1.020 8.333 79.770 82.662 -99.200 -91.000 TYR 220 0.840 13.963 68.998 73.604 -99.200 -91.000 TYR 240 0.840 4.401 76.415 85.814 -99.200 -91.000 PHE 246 1.000 3.823 71.091 76.176 -99.200 -91.000 HIS 259 0.900 12.552 54.184 69.463 -99.200 -91.000 PHE 267 1.000 9.214 45.426 60.526 -99.200 -91.000 PHE 274 1.000 9.088 56.403 59.111 -99.200 -91.000 TYR 280 0.840 7.337 68.301 63.423 -99.200 -91.000