============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 16.534 8.025 43.900 -99.200 -91.000 TYR 8 0.840 13.268 4.512 44.980 -99.200 -91.000 TRP 9 1.040 6.841 6.564 50.483 -99.200 -91.000 TRP6 9 1.020 5.315 8.213 51.236 -99.200 -91.000 TYR 12 0.840 14.186 18.558 57.094 -99.200 -91.000 TRP 24 1.040 9.923 7.619 56.827 -99.200 -91.000 TRP6 24 1.020 7.654 8.248 56.916 -99.200 -91.000 PHE 27 1.000 3.090 -4.346 48.865 -99.200 -91.000 TYR 30 0.840 6.838 2.606 50.930 -99.200 -91.000 HIS 34 0.900 13.277 3.445 63.669 -99.200 -91.000 TYR 36 0.840 18.396 1.406 55.247 -99.200 -91.000 HIS 39 0.900 23.541 12.313 57.894 -99.200 -91.000 PHE 64 1.000 10.317 -4.189 53.683 -99.200 -91.000 TYR 66 0.840 0.543 -8.618 52.191 -99.200 -91.000 PHE 74 1.000 9.311 -1.324 57.898 -99.200 -91.000 PHE 75 1.000 4.440 -2.689 57.022 -99.200 -91.000 TYR 84 0.840 8.349 5.434 68.743 -99.200 -91.000 TRP 87 1.040 14.183 7.131 65.913 -99.200 -91.000 TRP6 87 1.020 12.395 8.535 66.531 -99.200 -91.000 TYR 97 0.840 16.261 16.862 73.544 -99.200 -91.000 PHE 104 1.000 9.448 11.903 70.453 -99.200 -91.000 TRP 111 1.040 5.582 8.672 46.873 -99.200 -91.000 TRP6 111 1.020 3.642 9.393 45.730 -99.200 -91.000 HIS 113 0.900 5.400 6.386 41.340 -99.200 -91.000 HIS 124 0.900 4.794 17.611 67.881 -99.200 -91.000 TRP 130 1.040 5.212 15.145 64.091 -99.200 -91.000 TRP6 130 1.020 6.335 13.329 65.110 -99.200 -91.000