============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 12.777 21.817 61.051 -99.200 -91.000 PHE 24 1.000 17.852 18.986 58.500 -99.200 -91.000 TRP 32 1.040 22.371 17.341 54.430 -99.200 -91.000 TRP6 32 1.020 24.075 18.642 55.417 -99.200 -91.000 PHE 35 1.000 23.694 20.167 66.176 -99.200 -91.000 HIS 47 0.900 14.238 29.543 73.931 -99.200 -91.000 PHE 55 1.000 27.975 24.754 65.947 -99.200 -91.000 TYR 60 0.840 27.283 21.656 62.558 -99.200 -91.000 TYR 69 0.840 7.544 35.649 57.921 -99.200 -91.000 TRP 70 1.040 8.134 35.268 52.350 -99.200 -91.000 TRP6 70 1.020 8.040 37.512 53.140 -99.200 -91.000 PHE 78 1.000 12.026 31.878 42.340 -99.200 -91.000 HIS 79 0.900 14.002 32.335 46.887 -99.200 -91.000 HIS 81 0.900 14.377 24.659 51.137 -99.200 -91.000 PHE 86 1.000 27.154 26.765 59.440 -99.200 -91.000 TYR 96 0.840 30.670 29.181 63.459 -99.200 -91.000 TYR 105 0.840 8.705 36.229 43.315 -99.200 -91.000 TYR 107 0.840 17.441 32.781 50.258 -99.200 -91.000