============================================================================= 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. TRP 5 1.040 16.438 61.212 6.557 -99.200 -91.000 TRP6 5 1.020 16.815 60.365 4.393 -99.200 -91.000 PHE 14 1.000 5.114 58.061 -1.546 -99.200 -91.000 HIS 35 0.900 10.447 46.545 14.705 -99.200 -91.000 PHE 52 1.000 -7.192 41.972 11.672 -99.200 -91.000 TRP 54 1.040 -6.081 37.038 0.476 -99.200 -91.000 TRP6 54 1.020 -8.031 36.340 -0.642 -99.200 -91.000 TYR 91 0.840 0.480 32.008 5.151 -99.200 -91.000 HIS 92 0.900 -10.190 31.347 5.248 -99.200 -91.000 TYR 98 0.840 -10.764 32.036 16.711 -99.200 -91.000 HIS 109 0.900 -19.101 39.831 14.951 -99.200 -91.000 PHE 113 1.000 -18.673 37.289 2.621 -99.200 -91.000 HIS 130 0.900 -22.087 35.717 7.274 -99.200 -91.000 PHE 131 1.000 -21.624 41.180 1.028 -99.200 -91.000 TYR 137 0.840 -19.658 44.293 12.536 -99.200 -91.000 TRP 138 1.040 -16.287 44.489 5.140 -99.200 -91.000 TRP6 138 1.020 -16.910 43.338 3.177 -99.200 -91.000 TRP 153 1.040 -1.064 39.945 -10.918 -99.200 -91.000 TRP6 153 1.020 -1.877 41.537 -9.385 -99.200 -91.000 HIS 154 0.900 0.753 33.511 -14.328 -99.200 -91.000 PHE 156 1.000 -4.670 34.921 -4.316 -99.200 -91.000 TYR 157 0.840 -5.715 38.060 -9.028 -99.200 -91.000 PHE 178 1.000 -7.088 42.893 -9.570 -99.200 -91.000 PHE 179 1.000 -3.704 49.489 -6.293 -99.200 -91.000 HIS 182 0.900 0.596 57.169 -13.461 -99.200 -91.000 TYR 204 0.840 -4.580 55.821 12.309 -99.200 -91.000 TYR 214 0.840 8.573 51.685 -7.685 -99.200 -91.000 TYR 225 0.840 -6.870 53.047 -4.063 -99.200 -91.000