============================================================================= 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. TRP 35 1.040 13.850 48.654 24.086 -99.200 -91.000 TRP6 35 1.020 14.224 49.954 22.154 -99.200 -91.000 TYR 36 0.840 10.389 41.461 21.759 -99.200 -91.000 TYR 49 0.840 10.341 41.414 31.517 -99.200 -91.000 PHE 62 1.000 22.233 43.505 24.737 -99.200 -91.000 PHE 71 1.000 8.694 53.761 26.153 -99.200 -91.000 PHE 83 1.000 28.550 45.819 15.831 -99.200 -91.000 TYR 86 0.840 19.760 45.384 19.030 -99.200 -91.000 TYR 87 0.840 12.408 44.171 14.262 -99.200 -91.000 TYR 91 0.840 4.258 44.829 27.346 -99.200 -91.000 TRP 94 1.040 -7.845 44.510 27.850 -99.200 -91.000 TRP6 94 1.020 -6.584 42.552 27.461 -99.200 -91.000 TYR 97 0.840 -0.729 43.677 23.637 -99.200 -91.000 PHE 99 1.000 6.413 42.927 17.450 -99.200 -91.000 PHE 117 1.000 36.417 42.209 -9.829 -99.200 -91.000 PHE 119 1.000 31.648 38.668 -13.288 -99.200 -91.000 PHE 140 1.000 29.989 48.096 -1.553 -99.200 -91.000 TYR 141 0.840 31.246 50.740 6.685 -99.200 -91.000 TRP 149 1.040 23.346 47.968 -14.844 -99.200 -91.000 TRP6 149 1.020 24.941 46.542 -15.848 -99.200 -91.000 TYR 174 0.840 27.466 46.572 4.613 -99.200 -91.000 TYR 187 0.840 24.118 40.850 -25.069 -99.200 -91.000 HIS 190 0.900 21.026 48.766 -27.519 -99.200 -91.000 TYR 193 0.840 25.042 45.621 -23.737 -99.200 -91.000 HIS 199 0.900 32.119 53.216 -1.279 -99.200 -91.000 PHE 210 1.000 29.748 43.301 -22.144 -99.200 -91.000