============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 21 0.840 8.485 53.413 30.977 -99.200 -91.000 TRP 37 1.040 16.404 59.150 2.380 -99.200 -91.000 TRP6 37 1.020 17.606 57.699 3.812 -99.200 -91.000 TYR 39 0.840 5.621 56.067 6.538 -99.200 -91.000 PHE 49 1.000 16.335 57.919 20.778 -99.200 -91.000 HIS 88 0.900 21.796 44.562 33.223 -99.200 -91.000 PHE 89 1.000 23.795 49.522 27.454 -99.200 -91.000 PHE 111 1.000 16.524 32.027 32.989 -99.200 -91.000 PHE 120 1.000 7.556 38.055 24.322 -99.200 -91.000 TYR 122 0.840 15.733 31.118 20.937 -99.200 -91.000 TYR 154 0.840 28.691 62.394 13.535 -99.200 -91.000 PHE 160 1.000 17.488 55.288 8.891 -99.200 -91.000 PHE 162 1.000 18.994 48.969 15.768 -99.200 -91.000 PHE 176 1.000 -10.852 25.624 26.602 -99.200 -91.000 TRP 200 1.040 30.543 46.242 26.135 -99.200 -91.000 TRP6 200 1.020 30.228 48.530 25.616 -99.200 -91.000 PHE 203 1.000 35.359 51.958 24.569 -99.200 -91.000 PHE 213 1.000 29.119 54.979 18.427 -99.200 -91.000 PHE 222 1.000 14.153 44.271 2.775 -99.200 -91.000 TRP 224 1.040 18.166 34.870 8.150 -99.200 -91.000 TRP6 224 1.020 17.448 35.698 10.244 -99.200 -91.000 PHE 227 1.000 13.669 37.580 -0.429 -99.200 -91.000 PHE 250 1.000 3.152 38.197 10.501 -99.200 -91.000 HIS 253 0.900 12.256 42.849 16.119 -99.200 -91.000 PHE 255 1.000 16.086 44.495 11.971 -99.200 -91.000 HIS 281 0.900 3.500 57.396 15.294 -99.200 -91.000 TYR 314 0.840 12.438 39.830 11.459 -99.200 -91.000 TYR 320 0.840 14.673 30.353 12.764 -99.200 -91.000