============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 9 0.840 20.512 4.002 29.314 -99.200 -91.000 HIS 11 0.900 24.598 6.542 24.728 -99.200 -91.000 PHE 17 1.000 25.411 14.803 30.025 -99.200 -91.000 TYR 42 0.840 20.820 1.187 21.683 -99.200 -91.000 PHE 46 1.000 11.619 -3.460 22.929 -99.200 -91.000 PHE 65 1.000 0.822 -8.662 10.409 -99.200 -91.000 TYR 67 0.840 2.580 -4.434 14.774 -99.200 -91.000 HIS 72 0.900 -8.214 -3.393 19.427 -99.200 -91.000 TYR 75 0.840 -3.916 -5.325 25.952 -99.200 -91.000 PHE 99 1.000 9.130 7.165 27.373 -99.200 -91.000 PHE 101 1.000 14.565 10.637 23.806 -99.200 -91.000 TYR 104 0.840 20.666 7.983 17.812 -99.200 -91.000 TRP 105 1.040 18.779 11.177 11.420 -99.200 -91.000 TRP6 105 1.020 19.788 13.020 10.348 -99.200 -91.000 PHE 106 1.000 15.494 18.662 14.222 -99.200 -91.000 TRP 115 1.040 9.539 0.294 25.439 -99.200 -91.000 TRP6 115 1.020 7.900 1.850 26.190 -99.200 -91.000 PHE 124 1.000 -0.271 -1.186 28.179 -99.200 -91.000 PHE 126 1.000 -4.210 3.379 20.302 -99.200 -91.000 PHE 131 1.000 -8.766 9.535 20.021 -99.200 -91.000 TYR 132 0.840 -4.676 13.530 21.074 -99.200 -91.000 TYR 155 0.840 18.086 21.479 18.793 -99.200 -91.000 TYR 166 0.840 9.237 25.443 16.324 -99.200 -91.000 PHE 167 1.000 13.734 18.422 19.862 -99.200 -91.000 TRP 169 1.040 2.697 18.159 17.197 -99.200 -91.000 TRP6 169 1.020 1.047 19.130 18.583 -99.200 -91.000 HIS 173 0.900 -1.137 16.777 20.958 -99.200 -91.000 HIS 177 0.900 -2.685 15.547 25.476 -99.200 -91.000 PHE 178 1.000 -3.821 8.656 19.917 -99.200 -91.000 PHE 181 1.000 2.343 7.685 29.626 -99.200 -91.000 PHE 190 1.000 19.160 22.681 24.661 -99.200 -91.000 TRP 207 1.040 18.071 13.644 35.196 -99.200 -91.000 TRP6 207 1.020 15.763 13.989 34.848 -99.200 -91.000 TRP 215 1.040 7.962 11.802 43.225 -99.200 -91.000 TRP6 215 1.020 6.963 10.401 41.594 -99.200 -91.000 HIS 225 0.900 0.104 29.485 23.609 -99.200 -91.000 TRP 226 1.040 4.377 24.015 26.877 -99.200 -91.000 TRP6 226 1.020 6.076 22.556 26.090 -99.200 -91.000 HIS 227 0.900 4.127 20.490 22.257 -99.200 -91.000 PHE 228 1.000 3.962 23.034 16.949 -99.200 -91.000