============================================================================= 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 23 1.040 66.920 45.803 -7.231 -99.200 -91.000 TRP6 23 1.020 64.647 46.463 -7.410 -99.200 -91.000 HIS 42 0.900 66.352 42.433 -21.393 -99.200 -91.000 PHE 43 1.000 66.112 48.872 -17.146 -99.200 -91.000 PHE 50 1.000 53.607 36.244 -21.400 -99.200 -91.000 PHE 54 1.000 54.019 42.037 -8.968 -99.200 -91.000 TYR 63 0.840 64.241 57.288 -9.670 -99.200 -91.000 PHE 64 1.000 68.859 51.548 -13.589 -99.200 -91.000 HIS 67 0.900 75.146 58.285 -19.216 -99.200 -91.000 PHE 69 1.000 68.862 51.075 -27.218 -99.200 -91.000 HIS 73 0.900 61.335 40.305 -22.343 -99.200 -91.000 TYR 100 0.840 48.899 34.971 -30.209 -99.200 -91.000 HIS 101 0.900 45.353 41.911 -25.075 -99.200 -91.000 PHE 103 1.000 53.368 41.684 -31.600 -99.200 -91.000 TRP 109 1.040 51.224 55.050 -28.506 -99.200 -91.000 TRP6 109 1.020 53.102 54.891 -27.080 -99.200 -91.000 TYR 117 0.840 71.962 55.279 -27.230 -99.200 -91.000 TYR 122 0.840 69.411 57.848 -32.555 -99.200 -91.000 TYR 142 0.840 52.454 40.926 -36.198 -99.200 -91.000 TYR 162 0.840 60.476 25.030 -23.737 -99.200 -91.000 TYR 199 0.840 74.486 25.629 -28.525 -99.200 -91.000 PHE 200 1.000 71.942 30.192 -27.016 -99.200 -91.000 HIS 205 0.900 72.821 29.674 -38.886 -99.200 -91.000 TRP 209 1.040 72.618 44.036 -28.307 -99.200 -91.000 TRP6 209 1.020 70.938 45.605 -27.827 -99.200 -91.000 PHE 217 1.000 74.937 42.573 -11.932 -99.200 -91.000 TRP 228 1.040 80.772 39.658 -22.217 -99.200 -91.000 TRP6 228 1.020 79.293 38.247 -23.386 -99.200 -91.000