============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 34.103 -77.376 43.425 -99.200 -91.000 HIS 6 0.900 34.638 -77.913 48.629 -99.200 -91.000 PHE 10 1.000 49.926 -82.809 45.493 -99.200 -91.000 TYR 17 0.840 44.322 -75.569 51.848 -99.200 -91.000 TYR 21 0.840 40.393 -77.544 55.799 -99.200 -91.000 PHE 23 1.000 47.409 -84.298 60.746 -99.200 -91.000 TYR 62 0.840 37.001 -91.470 72.628 -99.200 -91.000 PHE 64 1.000 38.785 -98.473 70.216 -99.200 -91.000 PHE 95 1.000 52.053-110.097 60.155 -99.200 -91.000 TYR 97 0.840 44.580-118.364 57.504 -99.200 -91.000 TYR 99 0.840 52.466-112.530 55.974 -99.200 -91.000 TYR 101 0.840 55.758-113.011 62.144 -99.200 -91.000 TYR 119 0.840 41.652 -94.551 53.910 -99.200 -91.000 TYR 124 0.840 36.576 -94.738 46.588 -99.200 -91.000 PHE 134 1.000 47.913 -98.777 65.677 -99.200 -91.000 TYR 146 0.840 56.897 -98.364 66.218 -99.200 -91.000 TYR 153 0.840 55.433 -88.783 60.415 -99.200 -91.000 TYR 154 0.840 55.210 -96.194 60.387 -99.200 -91.000 TYR 157 0.840 55.986 -90.555 68.204 -99.200 -91.000 HIS 176 0.900 61.686 -88.641 83.196 -99.200 -91.000 PHE 177 1.000 61.737 -89.944 78.193 -99.200 -91.000 HIS 183 0.900 64.668 -97.637 79.580 -99.200 -91.000 TRP 188 1.040 51.682-103.981 85.516 -99.200 -91.000 TRP6 188 1.020 49.666-102.976 86.238 -99.200 -91.000 PHE 194 1.000 57.638 -90.879 84.148 -99.200 -91.000 HIS 198 0.900 56.816 -86.903 84.726 -99.200 -91.000 PHE 207 1.000 44.126 -86.155 85.232 -99.200 -91.000 PHE 222 1.000 46.328-102.718 75.468 -99.200 -91.000 PHE 223 1.000 47.443-105.386 82.047 -99.200 -91.000