============================================================================= 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 9.896 15.702 5.251 -99.200 -91.000 TRP6 9 1.020 9.038 15.110 3.162 -99.200 -91.000 TYR 10 0.840 5.658 12.127 11.257 -99.200 -91.000 PHE 17 1.000 14.834 14.746 7.521 -99.200 -91.000 TYR 31 0.840 16.153 10.596 11.815 -99.200 -91.000 TYR 42 0.840 20.102 11.155 19.205 -99.200 -91.000 TYR 48 0.840 17.965 22.580 -0.493 -99.200 -91.000 TRP 63 1.040 19.279 13.491 7.217 -99.200 -91.000 TRP6 63 1.020 17.735 13.017 5.495 -99.200 -91.000 TRP 67 1.040 22.898 7.646 15.197 -99.200 -91.000 TRP6 67 1.020 20.639 8.337 15.149 -99.200 -91.000 TYR 71 0.840 18.125 13.903 27.107 -99.200 -91.000 HIS 75 0.900 30.493 6.072 22.233 -99.200 -91.000 TRP 80 1.040 18.667 8.555 6.703 -99.200 -91.000 TRP6 80 1.020 19.544 9.280 8.797 -99.200 -91.000 TYR 84 0.840 10.756 17.442 -2.142 -99.200 -91.000 TRP 96 1.040 19.134 3.658 6.358 -99.200 -91.000 TRP6 96 1.020 20.223 2.047 7.727 -99.200 -91.000 TRP 108 1.040 35.207 -7.897 10.425 -99.200 -91.000 TRP6 108 1.020 33.236 -9.077 9.929 -99.200 -91.000 HIS 115 0.900 14.978 -0.149 1.684 -99.200 -91.000 PHE 118 1.000 13.256 9.686 6.412 -99.200 -91.000