============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 31 0.840 31.680 2.947 173.292 -99.200 -91.000 TRP 36 1.040 41.684 11.909 182.609 -99.200 -91.000 TRP6 36 1.020 40.256 13.533 183.562 -99.200 -91.000 TYR 37 0.840 44.724 15.264 175.243 -99.200 -91.000 HIS 40 0.900 52.651 22.638 182.409 -99.200 -91.000 TYR 50 0.840 47.799 5.190 176.529 -99.200 -91.000 PHE 63 1.000 50.117 13.774 186.418 -99.200 -91.000 TYR 87 0.840 46.116 18.990 185.164 -99.200 -91.000 TYR 88 0.840 41.340 22.063 178.724 -99.200 -91.000 PHE 99 1.000 37.372 17.271 172.017 -99.200 -91.000 PHE 120 1.000 67.423 41.818 175.025 -99.200 -91.000 PHE 141 1.000 55.543 36.976 184.990 -99.200 -91.000 TYR 142 0.840 53.675 30.953 191.296 -99.200 -91.000 TRP 150 1.040 55.969 48.943 176.192 -99.200 -91.000 TRP6 150 1.020 58.225 48.510 175.640 -99.200 -91.000 TYR 174 0.840 53.215 30.909 185.138 -99.200 -91.000 TYR 179 0.840 57.625 40.814 171.265 -99.200 -91.000 TRP 187 1.040 65.920 53.413 167.901 -99.200 -91.000 TRP6 187 1.020 66.006 52.753 170.175 -99.200 -91.000 HIS 190 0.900 59.577 59.510 171.039 -99.200 -91.000 TYR 193 0.840 61.655 55.032 172.601 -99.200 -91.000 HIS 199 0.900 54.168 39.443 189.922 -99.200 -91.000