============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 7 1.000 -11.093 9.548 33.164 -99.200 -91.000 HIS 17 0.900 0.910 -1.567 30.204 -99.200 -91.000 HIS 63 0.900 10.503 18.230 30.249 -99.200 -91.000 PHE 70 1.000 18.897 12.177 38.383 -99.200 -91.000 HIS 85 0.900 0.718 13.323 48.974 -99.200 -91.000 PHE 87 1.000 2.545 11.987 42.754 -99.200 -91.000 PHE 90 1.000 4.621 11.647 30.424 -99.200 -91.000 PHE 95 1.000 13.450 7.671 25.987 -99.200 -91.000 TYR 106 0.840 12.364 3.094 29.281 -99.200 -91.000 PHE 111 1.000 19.387 12.600 33.574 -99.200 -91.000 TRP 116 1.040 13.934 7.640 37.853 -99.200 -91.000 TRP6 116 1.020 12.779 9.322 36.654 -99.200 -91.000 HIS 123 0.900 8.747 13.691 19.426 -99.200 -91.000 HIS 142 0.900 5.745 -6.321 35.485 -99.200 -91.000 TYR 162 0.840 5.041 12.538 13.040 -99.200 -91.000 HIS 173 0.900 5.139 -1.751 18.156 -99.200 -91.000 PHE 176 1.000 7.184 0.275 26.541 -99.200 -91.000 PHE 180 1.000 -2.346 7.183 20.577 -99.200 -91.000 PHE 192 1.000 -4.126 2.368 22.006 -99.200 -91.000 HIS 194 0.900 -6.826 9.610 23.048 -99.200 -91.000 TYR 212 0.840 0.182 27.771 27.322 -99.200 -91.000 TYR 246 0.840 -4.816 25.227 34.977 -99.200 -91.000 TRP 251 1.040 -14.117 14.739 38.268 -99.200 -91.000 TRP6 251 1.020 -12.995 12.710 37.808 -99.200 -91.000 TYR 254 0.840 -14.457 11.462 33.355 -99.200 -91.000