============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 4 1.000 -20.442 19.211 62.936 -99.200 -91.000 TYR 18 0.840 -7.733 6.880 54.983 -99.200 -91.000 TYR 24 0.840 -1.157 14.151 48.423 -99.200 -91.000 TYR 25 0.840 1.942 8.278 54.228 -99.200 -91.000 HIS 31 0.900 -6.662 15.761 60.474 -99.200 -91.000 PHE 67 1.000 -16.641 15.083 60.908 -99.200 -91.000 TYR 88 0.840 -22.121 32.996 55.791 -99.200 -91.000 TRP 96 1.040 -22.186 28.124 55.171 -99.200 -91.000 TRP6 96 1.020 -22.271 28.762 57.442 -99.200 -91.000 PHE 104 1.000 -14.025 17.466 56.383 -99.200 -91.000 PHE 114 1.000 -13.405 24.862 42.747 -99.200 -91.000 TRP 126 1.040 -30.559 28.026 43.882 -99.200 -91.000 TRP6 126 1.020 -28.798 28.892 45.191 -99.200 -91.000 TRP 138 1.040 -15.378 18.633 44.088 -99.200 -91.000 TRP6 138 1.020 -17.621 19.362 43.947 -99.200 -91.000 TYR 139 0.840 -19.515 15.142 38.131 -99.200 -91.000 PHE 153 1.000 -23.224 24.253 46.462 -99.200 -91.000 TRP 158 1.040 -30.600 18.341 54.547 -99.200 -91.000 TRP6 158 1.020 -28.269 18.688 54.443 -99.200 -91.000 TYR 161 0.840 -25.335 14.344 51.345 -99.200 -91.000