============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 1 1.000 226.865 51.022 -25.768 -99.200 -91.000 PHE 4 1.000 225.493 43.684 -32.311 -99.200 -91.000 TYR 27 0.840 216.242 40.374 -6.253 -99.200 -91.000 TYR 43 0.840 199.649 34.697 1.733 -99.200 -91.000 TYR 47 0.840 195.447 32.480 8.674 -99.200 -91.000 TYR 49 0.840 194.485 44.024 9.118 -99.200 -91.000 HIS 50 0.900 189.731 35.774 5.714 -99.200 -91.000 PHE 53 1.000 184.620 38.152 7.742 -99.200 -91.000 TYR 55 0.840 185.463 39.327 18.691 -99.200 -91.000 PHE 56 1.000 185.488 43.520 15.838 -99.200 -91.000 PHE 69 1.000 189.510 48.797 8.410 -99.200 -91.000 PHE 70 1.000 189.403 44.997 11.793 -99.200 -91.000 HIS 80 0.900 199.038 46.053 0.816 -99.200 -91.000 TYR 87 0.840 210.750 43.983 -7.121 -99.200 -91.000 PHE 107 1.000 191.118 39.617 17.126 -99.200 -91.000 HIS 109 0.900 191.295 45.672 26.597 -99.200 -91.000 HIS 117 0.900 192.317 44.518 22.141 -99.200 -91.000 HIS 137 0.900 214.429 52.448 1.198 -99.200 -91.000 PHE 151 1.000 207.973 46.305 -5.602 -99.200 -91.000 TYR 156 0.840 204.555 46.771 -1.132 -99.200 -91.000 TYR 170 0.840 188.872 53.949 10.081 -99.200 -91.000 HIS 181 0.900 173.298 56.253 20.125 -99.200 -91.000 TRP 184 1.040 174.585 50.123 16.100 -99.200 -91.000 TRP6 184 1.020 173.248 51.891 15.290 -99.200 -91.000 HIS 185 0.900 176.160 58.014 14.824 -99.200 -91.000 PHE 186 1.000 184.609 54.280 13.865 -99.200 -91.000 HIS 192 0.900 175.576 52.318 5.473 -99.200 -91.000