============================================================================= 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. TRP 9 1.040 10.002 15.774 5.352 -99.200 -91.000 TRP6 9 1.020 9.110 15.233 3.242 -99.200 -91.000 TYR 10 0.840 5.624 12.148 11.165 -99.200 -91.000 PHE 17 1.000 14.844 14.826 7.689 -99.200 -91.000 TYR 31 0.840 16.136 10.560 11.786 -99.200 -91.000 TYR 42 0.840 19.914 11.099 19.052 -99.200 -91.000 TYR 48 0.840 18.127 22.737 -0.785 -99.200 -91.000 TRP 63 1.040 19.219 13.440 7.291 -99.200 -91.000 TRP6 63 1.020 17.705 12.989 5.537 -99.200 -91.000 TRP 67 1.040 22.700 7.578 15.187 -99.200 -91.000 TRP6 67 1.020 20.445 8.297 15.083 -99.200 -91.000 TYR 71 0.840 18.218 13.992 27.170 -99.200 -91.000 HIS 75 0.900 30.632 5.925 22.192 -99.200 -91.000 TRP 80 1.040 18.623 8.556 6.602 -99.200 -91.000 TRP6 80 1.020 19.403 9.212 8.734 -99.200 -91.000 TYR 84 0.840 10.907 17.419 -2.021 -99.200 -91.000 TRP 96 1.040 19.222 3.654 6.387 -99.200 -91.000 TRP6 96 1.020 20.301 2.070 7.750 -99.200 -91.000 TRP 108 1.040 35.230 -7.827 10.366 -99.200 -91.000 TRP6 108 1.020 33.187 -8.928 9.978 -99.200 -91.000 HIS 115 0.900 15.150 -0.295 1.714 -99.200 -91.000 PHE 118 1.000 13.311 9.641 6.309 -99.200 -91.000