============================================================================= 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. HIS 4 0.900 -45.094 -0.753 111.533 -99.200 -91.000 PHE 29 1.000 -2.976 -0.659 118.931 -99.200 -91.000 HIS 42 0.900 -11.394 -0.177 121.743 -99.200 -91.000 TYR 45 0.840 -20.523 1.442 129.053 -99.200 -91.000 PHE 55 1.000 -29.269 20.429 135.407 -99.200 -91.000 PHE 76 1.000 -10.830 8.568 126.198 -99.200 -91.000 TRP 78 1.040 -8.262 -1.574 125.259 -99.200 -91.000 TRP6 78 1.020 -7.062 -0.920 123.400 -99.200 -91.000 PHE 86 1.000 3.509 6.396 122.000 -99.200 -91.000 TYR 89 0.840 -4.111 15.390 124.669 -99.200 -91.000 PHE 91 1.000 -8.648 12.688 122.085 -99.200 -91.000 TYR 98 0.840 -28.861 8.103 125.535 -99.200 -91.000 TYR 113 0.840 -21.836 19.735 129.326 -99.200 -91.000 PHE 114 1.000 -15.561 20.236 123.272 -99.200 -91.000 PHE 132 1.000 -21.757 23.974 128.026 -99.200 -91.000 TRP 141 1.040 -38.745 8.618 124.689 -99.200 -91.000 TRP6 141 1.020 -39.672 8.740 122.579 -99.200 -91.000 TYR 156 0.840 3.944 18.613 126.879 -99.200 -91.000 TYR 178 0.840 -33.829 19.132 131.219 -99.200 -91.000 PHE 190 1.000 -21.501 1.709 124.341 -99.200 -91.000 TYR 198 0.840 1.557 13.227 117.580 -99.200 -91.000 PHE 199 1.000 7.519 14.848 120.602 -99.200 -91.000 TYR 226 0.840 -7.390 5.708 139.022 -99.200 -91.000 HIS 238 0.900 -10.027 6.867 151.704 -99.200 -91.000 PHE 240 1.000 -13.731 3.530 145.581 -99.200 -91.000 PHE 246 1.000 -10.063 1.592 141.484 -99.200 -91.000 TYR 283 0.840 -6.441 3.664 154.712 -99.200 -91.000 PHE 284 1.000 -0.584 -1.763 154.208 -99.200 -91.000 PHE 298 1.000 -10.709 2.267 156.595 -99.200 -91.000