============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 197.109 75.142 -78.602 -99.200 -91.000 PHE 6 1.000 188.010 76.539 -82.618 -99.200 -91.000 TYR 29 0.840 197.444 50.525 -78.032 -99.200 -91.000 TYR 45 0.840 190.365 34.932 -69.027 -99.200 -91.000 TYR 49 0.840 191.194 26.690 -67.289 -99.200 -91.000 TYR 51 0.840 197.650 31.347 -58.893 -99.200 -91.000 HIS 52 0.900 188.336 28.396 -60.881 -99.200 -91.000 PHE 55 1.000 188.223 25.731 -55.345 -99.200 -91.000 TYR 57 0.840 196.155 17.926 -55.195 -99.200 -91.000 PHE 58 1.000 196.883 22.161 -52.599 -99.200 -91.000 PHE 71 1.000 197.391 32.243 -51.964 -99.200 -91.000 PHE 72 1.000 197.199 27.553 -54.351 -99.200 -91.000 HIS 82 0.900 196.079 40.773 -61.041 -99.200 -91.000 TYR 89 0.840 196.266 50.654 -71.443 -99.200 -91.000 PHE 109 1.000 198.326 21.593 -59.148 -99.200 -91.000 HIS 111 0.900 207.818 16.995 -55.081 -99.200 -91.000 HIS 119 0.900 204.976 20.325 -56.871 -99.200 -91.000 HIS 139 0.900 208.238 49.602 -68.473 -99.200 -91.000 PHE 153 1.000 197.145 49.516 -67.771 -99.200 -91.000 TYR 158 0.840 198.270 44.898 -64.834 -99.200 -91.000 TYR 172 0.840 200.953 32.857 -48.118 -99.200 -91.000 HIS 183 0.900 200.312 19.799 -35.113 -99.200 -91.000 TRP 186 1.040 195.144 20.509 -39.912 -99.200 -91.000 TRP6 186 1.020 194.951 21.476 -37.764 -99.200 -91.000 HIS 187 0.900 199.639 25.855 -35.870 -99.200 -91.000 PHE 188 1.000 201.274 28.340 -44.666 -99.200 -91.000 HIS 194 0.900 190.208 30.461 -39.267 -99.200 -91.000