============================================================================= 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. HIS 9 0.900 49.013 23.416 15.213 -99.200 -91.000 PHE 12 1.000 62.008 20.554 13.386 -99.200 -91.000 PHE 14 1.000 53.907 21.598 23.119 -99.200 -91.000 TYR 35 0.840 78.300 17.113 26.265 -99.200 -91.000 HIS 42 0.900 66.224 9.509 14.306 -99.200 -91.000 PHE 56 1.000 79.484 21.172 21.149 -99.200 -91.000 PHE 63 1.000 76.551 12.864 29.642 -99.200 -91.000 HIS 74 0.900 63.944 9.509 23.489 -99.200 -91.000 TYR 98 0.840 50.152 16.191 23.427 -99.200 -91.000 HIS 103 0.900 57.215 9.471 31.219 -99.200 -91.000 TYR 114 0.840 41.777 -0.133 35.525 -99.200 -91.000 PHE 115 1.000 49.314 -7.004 33.004 -99.200 -91.000 HIS 124 0.900 60.258 5.411 20.092 -99.200 -91.000 TYR 133 0.840 58.722 8.527 34.612 -99.200 -91.000 HIS 156 0.900 46.990 -9.612 35.096 -99.200 -91.000 PHE 171 1.000 48.399 -3.313 17.160 -99.200 -91.000 PHE 172 1.000 44.800 3.172 21.887 -99.200 -91.000 TRP 182 1.040 39.564 -12.461 23.855 -99.200 -91.000 TRP6 182 1.020 39.418 -14.808 24.110 -99.200 -91.000 TYR 228 0.840 51.532 16.752 -3.945 -99.200 -91.000 TYR 229 0.840 49.824 11.869 -2.916 -99.200 -91.000 TYR 239 0.840 53.242 24.253 -8.414 -99.200 -91.000 HIS 240 0.900 56.959 16.830 -1.555 -99.200 -91.000 TRP 251 1.040 55.955 26.371 -10.337 -99.200 -91.000 TRP6 251 1.020 57.103 25.331 -8.549 -99.200 -91.000 PHE 252 1.000 54.825 31.008 -6.129 -99.200 -91.000 TRP 269 1.040 66.751 26.261 10.064 -99.200 -91.000 TRP6 269 1.020 68.047 25.436 8.261 -99.200 -91.000