============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 32 0.840 26.443 33.799 43.891 -99.200 -91.000 TYR 34 0.840 32.897 34.406 38.758 -99.200 -91.000 TRP 35 1.040 30.455 38.056 31.026 -99.200 -91.000 TRP6 35 1.020 29.759 37.528 28.824 -99.200 -91.000 TYR 36 0.840 35.277 31.538 33.539 -99.200 -91.000 TRP 47 1.040 38.546 39.237 29.765 -99.200 -91.000 TRP6 47 1.020 40.838 38.656 29.693 -99.200 -91.000 TYR 49 0.840 35.765 39.664 40.577 -99.200 -91.000 PHE 62 1.000 38.262 42.875 27.062 -99.200 -91.000 TYR 71 0.840 23.275 38.889 34.544 -99.200 -91.000 TYR 86 0.840 36.034 37.725 24.783 -99.200 -91.000 PHE 87 1.000 33.226 29.452 25.671 -99.200 -91.000 TRP 91 1.040 29.566 31.001 40.369 -99.200 -91.000 TRP6 91 1.020 30.145 30.956 42.663 -99.200 -91.000 PHE 94 1.000 25.581 23.260 42.991 -99.200 -91.000 TYR 96 0.840 28.102 25.752 40.414 -99.200 -91.000 PHE 98 1.000 31.342 26.751 32.020 -99.200 -91.000 PHE 118 1.000 54.096 21.811 -1.676 -99.200 -91.000 PHE 135 1.000 50.818 23.027 2.608 -99.200 -91.000 PHE 139 1.000 42.935 32.144 2.958 -99.200 -91.000 TYR 140 0.840 40.079 39.405 7.097 -99.200 -91.000 TRP 148 1.040 41.774 19.945 -5.092 -99.200 -91.000 TRP6 148 1.020 44.112 19.734 -5.347 -99.200 -91.000 TRP 163 1.040 39.661 27.852 6.186 -99.200 -91.000 TRP6 163 1.020 38.341 26.274 5.031 -99.200 -91.000 TYR 173 0.840 40.754 33.543 9.047 -99.200 -91.000 TYR 186 0.840 49.966 11.340 -9.401 -99.200 -91.000 HIS 189 0.900 42.701 11.093 -15.141 -99.200 -91.000 TYR 192 0.840 47.063 14.971 -11.146 -99.200 -91.000 HIS 198 0.900 40.691 36.265 -0.705 -99.200 -91.000 PHE 209 1.000 51.478 18.116 -9.853 -99.200 -91.000