============================================================================= 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 2 0.840 56.373 42.301 87.493 -99.200 -91.000 TYR 11 0.840 57.761 73.021 100.303 -99.200 -91.000 TRP 32 1.040 34.234 68.922 118.777 -99.200 -91.000 TRP6 32 1.020 34.486 68.924 116.422 -99.200 -91.000 HIS 43 0.900 53.832 71.615 107.990 -99.200 -91.000 PHE 56 1.000 61.618 73.091 91.122 -99.200 -91.000 HIS 85 0.900 47.823 79.771 85.541 -99.200 -91.000 PHE 87 1.000 43.785 76.170 78.393 -99.200 -91.000 PHE 106 1.000 48.433 62.154 82.095 -99.200 -91.000 PHE 115 1.000 51.565 59.180 95.068 -99.200 -91.000 TYR 117 0.840 41.382 57.132 90.589 -99.200 -91.000 TYR 125 0.840 51.051 56.009 79.701 -99.200 -91.000 TYR 133 0.840 64.991 55.824 84.884 -99.200 -91.000 PHE 157 1.000 39.979 69.068 103.562 -99.200 -91.000 HIS 178 0.900 43.883 45.922 93.421 -99.200 -91.000 HIS 180 0.900 36.998 49.382 92.692 -99.200 -91.000 TYR 185 0.840 27.947 57.213 98.199 -99.200 -91.000 HIS 204 0.900 35.225 80.096 100.671 -99.200 -91.000 PHE 213 1.000 34.272 57.936 110.650 -99.200 -91.000 HIS 222 0.900 32.921 47.268 100.308 -99.200 -91.000 TRP 240 1.040 56.174 49.439 107.449 -99.200 -91.000 TRP6 240 1.020 55.843 50.529 109.521 -99.200 -91.000 HIS 244 0.900 43.670 61.161 102.127 -99.200 -91.000 HIS 272 0.900 52.976 65.732 107.419 -99.200 -91.000 PHE 304 1.000 35.915 58.233 100.384 -99.200 -91.000 PHE 308 1.000 32.040 60.231 98.943 -99.200 -91.000 TRP 310 1.040 36.850 52.688 96.631 -99.200 -91.000 TRP6 310 1.020 34.760 53.529 95.922 -99.200 -91.000 PHE 317 1.000 58.564 50.998 98.785 -99.200 -91.000