============================================================================= 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 10.117 15.956 5.294 -99.200 -91.000 TRP6 9 1.020 9.228 15.431 3.188 -99.200 -91.000 TYR 10 0.840 5.560 12.423 11.029 -99.200 -91.000 PHE 17 1.000 14.400 14.669 7.755 -99.200 -91.000 TYR 31 0.840 16.187 10.702 11.961 -99.200 -91.000 TYR 42 0.840 19.957 11.231 19.002 -99.200 -91.000 TYR 48 0.840 18.119 22.724 -0.804 -99.200 -91.000 TRP 63 1.040 19.304 13.516 7.201 -99.200 -91.000 TRP6 63 1.020 17.750 13.040 5.491 -99.200 -91.000 TRP 67 1.040 22.819 7.701 15.016 -99.200 -91.000 TRP6 67 1.020 20.578 8.401 14.865 -99.200 -91.000 TYR 71 0.840 18.444 14.212 27.245 -99.200 -91.000 HIS 75 0.900 30.574 6.211 22.046 -99.200 -91.000 TRP 80 1.040 18.604 8.597 6.584 -99.200 -91.000 TRP6 80 1.020 19.457 9.303 8.674 -99.200 -91.000 TYR 84 0.840 10.876 17.541 -2.185 -99.200 -91.000 TRP 96 1.040 19.165 3.762 6.312 -99.200 -91.000 TRP6 96 1.020 20.211 2.119 7.624 -99.200 -91.000 TRP 108 1.040 35.099 -7.913 10.349 -99.200 -91.000 TRP6 108 1.020 33.106 -9.089 9.944 -99.200 -91.000 HIS 115 0.900 15.167 -0.255 1.804 -99.200 -91.000 PHE 118 1.000 13.215 9.666 6.253 -99.200 -91.000