============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 1 1.000 26.181 26.269 51.885 -99.200 -91.000 PHE 16 1.000 36.000 21.527 28.784 -99.200 -91.000 TYR 50 0.840 23.138 27.562 28.885 -99.200 -91.000 HIS 54 0.900 24.047 22.665 18.897 -99.200 -91.000 HIS 64 0.900 11.624 14.134 23.424 -99.200 -91.000 PHE 68 1.000 17.382 21.928 28.052 -99.200 -91.000 PHE 85 1.000 13.326 31.304 23.725 -99.200 -91.000 TRP 124 1.040 4.016 41.308 41.308 -99.200 -91.000 TRP6 124 1.020 4.745 39.261 42.228 -99.200 -91.000 TYR 130 0.840 8.639 30.589 33.963 -99.200 -91.000 PHE 160 1.000 27.473 33.502 43.829 -99.200 -91.000 HIS 165 0.900 22.370 39.674 40.026 -99.200 -91.000 PHE 170 1.000 18.996 42.002 39.731 -99.200 -91.000 HIS 181 0.900 3.955 35.752 45.091 -99.200 -91.000 PHE 187 1.000 14.511 48.397 36.543 -99.200 -91.000 TRP 197 1.040 10.084 46.458 36.326 -99.200 -91.000 TRP6 197 1.020 9.766 45.772 38.561 -99.200 -91.000 TYR 208 0.840 11.168 23.235 49.625 -99.200 -91.000 HIS 211 0.900 21.992 17.028 42.494 -99.200 -91.000 TRP 223 1.040 31.189 41.896 46.852 -99.200 -91.000 TRP6 223 1.020 29.068 41.909 47.877 -99.200 -91.000 PHE 242 1.000 18.806 32.671 47.500 -99.200 -91.000