============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 20 1.000 -15.909 14.045 60.579 -99.200 -91.000 TYR 47 0.840 -25.858 15.968 59.081 -99.200 -91.000 PHE 55 1.000 -17.929 14.108 55.420 -99.200 -91.000 PHE 65 1.000 -3.657 22.091 49.822 -99.200 -91.000 HIS 67 0.900 1.965 18.563 43.995 -99.200 -91.000 TYR 89 0.840 -10.245 2.560 45.022 -99.200 -91.000 PHE 98 1.000 1.405 -1.250 49.379 -99.200 -91.000 HIS 102 0.900 2.934 -5.897 50.117 -99.200 -91.000 PHE 106 1.000 6.779 -2.565 48.145 -99.200 -91.000 TYR 124 0.840 0.427 23.516 45.166 -99.200 -91.000 TYR 130 0.840 -4.189 25.721 53.829 -99.200 -91.000 HIS 132 0.900 -1.218 16.877 57.102 -99.200 -91.000 PHE 153 1.000 -4.966 17.954 52.985 -99.200 -91.000 TRP 167 1.040 3.926 10.349 62.900 -99.200 -91.000 TRP6 167 1.020 2.733 8.896 64.341 -99.200 -91.000 TYR 175 0.840 7.390 28.001 71.639 -99.200 -91.000 PHE 178 1.000 1.539 22.416 65.923 -99.200 -91.000 TRP 185 1.040 10.193 16.122 64.592 -99.200 -91.000 TRP6 185 1.020 12.197 16.427 65.805 -99.200 -91.000 TYR 187 0.840 9.706 13.763 53.912 -99.200 -91.000 TRP 192 1.040 12.869 5.211 62.201 -99.200 -91.000 TRP6 192 1.020 11.135 3.968 63.207 -99.200 -91.000 TYR 197 0.840 9.827 -2.469 53.777 -99.200 -91.000 TYR 202 0.840 9.973 8.828 68.744 -99.200 -91.000 TRP 203 1.040 10.121 0.711 68.360 -99.200 -91.000 TRP6 203 1.020 11.939 2.058 69.070 -99.200 -91.000 TYR 218 0.840 19.137 9.526 74.475 -99.200 -91.000 TYR 231 0.840 19.874 7.363 61.443 -99.200 -91.000 TRP 238 1.040 13.593 13.219 62.881 -99.200 -91.000 TRP6 238 1.020 14.446 11.025 62.879 -99.200 -91.000 PHE 248 1.000 8.030 19.562 53.786 -99.200 -91.000