============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 2 0.900 -11.761 53.568 16.686 -99.200 -91.000 TRP 9 1.040 0.103 60.707 16.138 -99.200 -91.000 TRP6 9 1.020 2.193 61.812 16.090 -99.200 -91.000 TYR 33 0.840 7.875 50.425 29.125 -99.200 -91.000 PHE 36 1.000 5.285 48.174 18.335 -99.200 -91.000 TRP 59 1.040 8.835 45.916 14.106 -99.200 -91.000 TRP6 59 1.020 7.895 44.926 12.157 -99.200 -91.000 PHE 91 1.000 -12.030 32.451 31.896 -99.200 -91.000 TRP 117 1.040 9.317 40.258 25.808 -99.200 -91.000 TRP6 117 1.020 7.131 40.128 26.681 -99.200 -91.000 TRP 122 1.040 9.261 43.030 32.613 -99.200 -91.000 TRP6 122 1.020 8.966 44.056 34.714 -99.200 -91.000 TYR 124 0.840 3.705 48.737 25.871 -99.200 -91.000 PHE 127 1.000 2.272 40.632 29.394 -99.200 -91.000 TYR 128 0.840 -4.625 38.364 34.423 -99.200 -91.000 TRP 157 1.040 7.597 27.737 27.472 -99.200 -91.000 TRP6 157 1.020 9.572 28.461 26.403 -99.200 -91.000 TYR 160 0.840 4.105 22.919 29.049 -99.200 -91.000 TYR 184 0.840 -5.928 48.027 20.181 -99.200 -91.000 HIS 186 0.900 -2.858 46.243 15.505 -99.200 -91.000 TYR 188 0.840 2.713 38.946 12.023 -99.200 -91.000 TYR 198 0.840 -6.537 36.578 18.431 -99.200 -91.000 PHE 203 1.000 -10.596 40.282 20.893 -99.200 -91.000