============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 8 1.040 33.325 32.262 13.474 -99.200 -91.000 TRP6 8 1.020 35.449 33.262 13.318 -99.200 -91.000 PHE 27 1.000 26.852 38.103 9.634 -99.200 -91.000 TYR 31 0.840 26.017 33.044 20.163 -99.200 -91.000 HIS 52 0.900 31.308 48.178 7.171 -99.200 -91.000 PHE 60 1.000 31.835 40.957 13.589 -99.200 -91.000 PHE 62 1.000 26.808 37.945 15.885 -99.200 -91.000 HIS 65 0.900 13.753 35.319 18.403 -99.200 -91.000 TRP 66 1.040 19.497 35.600 23.438 -99.200 -91.000 TRP6 66 1.020 21.326 34.196 22.919 -99.200 -91.000 PHE 68 1.000 17.835 30.396 25.600 -99.200 -91.000 PHE 75 1.000 27.243 38.345 20.751 -99.200 -91.000 PHE 80 1.000 41.176 43.563 14.908 -99.200 -91.000 TRP 93 1.040 28.498 40.208 25.286 -99.200 -91.000 TRP6 93 1.020 27.204 40.467 27.250 -99.200 -91.000 TYR 104 0.840 9.441 47.764 36.771 -99.200 -91.000 TRP 106 1.040 16.040 51.218 36.624 -99.200 -91.000 TRP6 106 1.020 17.674 50.092 37.903 -99.200 -91.000 TYR 113 0.840 35.784 39.879 27.751 -99.200 -91.000 PHE 116 1.000 32.060 35.059 19.261 -99.200 -91.000