============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 15 1.040 15.617 11.982 23.367 -99.200 -91.000 TRP6 15 1.020 14.553 13.992 24.041 -99.200 -91.000 TYR 19 0.840 11.891 23.710 12.531 -99.200 -91.000 PHE 34 1.000 28.535 21.161 14.900 -99.200 -91.000 TYR 37 0.840 18.579 13.844 9.079 -99.200 -91.000 PHE 38 1.000 20.826 15.049 18.460 -99.200 -91.000 PHE 43 1.000 19.236 13.365 28.648 -99.200 -91.000 PHE 52 1.000 24.397 15.025 22.909 -99.200 -91.000 TYR 53 0.840 24.994 6.239 21.391 -99.200 -91.000 PHE 54 1.000 26.135 13.215 16.173 -99.200 -91.000 TRP 62 1.040 23.049 9.257 4.929 -99.200 -91.000 TRP6 62 1.020 22.415 11.122 6.237 -99.200 -91.000 HIS 66 0.900 29.471 7.510 22.282 -99.200 -91.000 TYR 77 0.840 25.207 18.303 30.257 -99.200 -91.000 TYR 81 0.840 30.542 16.187 15.716 -99.200 -91.000 PHE 87 1.000 23.563 20.308 24.208 -99.200 -91.000 HIS 96 0.900 10.746 20.929 25.395 -99.200 -91.000 HIS 100 0.900 23.860 29.214 22.656 -99.200 -91.000 HIS 107 0.900 41.668 25.655 10.066 -99.200 -91.000 PHE 117 1.000 18.416 18.342 19.039 -99.200 -91.000 PHE 130 1.000 2.575 -4.992 17.841 -99.200 -91.000 TRP 131 1.040 4.318 -7.049 22.313 -99.200 -91.000 TRP6 131 1.020 5.329 -8.397 20.647 -99.200 -91.000 PHE 147 1.000 9.069 -2.094 10.297 -99.200 -91.000 HIS 153 0.900 20.428 0.474 17.405 -99.200 -91.000 HIS 155 0.900 22.734 -0.295 6.172 -99.200 -91.000