============================================================================= 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. PHE 5 1.000 -2.684 53.907 53.833 -99.200 -91.000 TYR 8 0.840 3.793 58.328 63.764 -99.200 -91.000 PHE 26 1.000 -5.043 48.566 52.965 -99.200 -91.000 HIS 42 0.900 11.763 42.577 69.475 -99.200 -91.000 PHE 46 1.000 3.731 36.996 68.601 -99.200 -91.000 PHE 65 1.000 25.608 47.898 65.726 -99.200 -91.000 HIS 66 0.900 31.464 47.105 59.508 -99.200 -91.000 PHE 75 1.000 16.375 44.424 55.522 -99.200 -91.000 PHE 77 1.000 12.813 37.787 58.595 -99.200 -91.000 PHE 80 1.000 -3.699 35.901 56.595 -99.200 -91.000 TYR 100 0.840 21.587 53.922 65.328 -99.200 -91.000 HIS 112 0.900 18.963 46.450 50.912 -99.200 -91.000 HIS 113 0.900 16.521 50.941 45.138 -99.200 -91.000 PHE 123 1.000 7.218 53.338 56.922 -99.200 -91.000 PHE 134 1.000 11.032 56.234 68.248 -99.200 -91.000 HIS 140 0.900 10.584 57.720 53.300 -99.200 -91.000 PHE 152 1.000 -5.776 64.588 79.745 -99.200 -91.000 TYR 156 0.840 -1.391 66.257 76.839 -99.200 -91.000 TYR 172 0.840 8.929 65.033 55.975 -99.200 -91.000 PHE 193 1.000 -8.500 65.805 69.772 -99.200 -91.000 PHE 199 1.000 -7.484 63.651 63.671 -99.200 -91.000 HIS 204 0.900 -16.306 52.118 68.622 -99.200 -91.000 PHE 222 1.000 -9.112 40.395 57.944 -99.200 -91.000 TYR 237 0.840 -9.205 45.591 62.300 -99.200 -91.000 TRP 245 1.040 -7.280 50.661 46.668 -99.200 -91.000 TRP6 245 1.020 -4.989 50.207 46.378 -99.200 -91.000 HIS 254 0.900 -8.444 73.499 65.196 -99.200 -91.000 PHE 262 1.000 -3.352 68.607 81.208 -99.200 -91.000 PHE 267 1.000 -6.878 64.144 84.187 -99.200 -91.000