============================================================================= 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 9.999 15.874 5.309 -99.200 -91.000 TRP6 9 1.020 9.177 15.292 3.189 -99.200 -91.000 TYR 10 0.840 5.602 12.239 11.103 -99.200 -91.000 PHE 17 1.000 14.571 14.597 7.762 -99.200 -91.000 TYR 31 0.840 16.188 10.583 11.835 -99.200 -91.000 TYR 42 0.840 20.018 11.098 19.138 -99.200 -91.000 TYR 48 0.840 18.144 22.708 -0.786 -99.200 -91.000 TRP 63 1.040 19.251 13.440 7.221 -99.200 -91.000 TRP6 63 1.020 17.764 12.924 5.473 -99.200 -91.000 TRP 67 1.040 22.830 7.596 15.016 -99.200 -91.000 TRP6 67 1.020 20.566 8.286 14.941 -99.200 -91.000 TYR 71 0.840 18.191 14.003 27.069 -99.200 -91.000 HIS 75 0.900 30.667 6.106 22.073 -99.200 -91.000 TRP 80 1.040 18.631 8.552 6.649 -99.200 -91.000 TRP6 80 1.020 19.465 9.269 8.752 -99.200 -91.000 TYR 84 0.840 10.822 17.427 -2.181 -99.200 -91.000 TRP 96 1.040 19.231 3.686 6.323 -99.200 -91.000 TRP6 96 1.020 20.335 2.055 7.636 -99.200 -91.000 TRP 108 1.040 35.089 -7.961 10.322 -99.200 -91.000 TRP6 108 1.020 33.091 -9.132 9.876 -99.200 -91.000 HIS 115 0.900 15.212 -0.322 1.869 -99.200 -91.000 PHE 118 1.000 13.165 9.762 6.281 -99.200 -91.000