============================================================================= 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. TYR 9 0.840 48.128 27.052 30.507 -99.200 -91.000 PHE 19 1.000 42.471 20.332 26.061 -99.200 -91.000 TYR 35 0.840 40.080 15.742 22.874 -99.200 -91.000 TYR 37 0.840 36.396 24.181 28.520 -99.200 -91.000 TYR 38 0.840 39.208 26.085 36.384 -99.200 -91.000 PHE 46 1.000 39.147 21.563 38.296 -99.200 -91.000 TYR 52 0.840 38.084 21.581 53.303 -99.200 -91.000 HIS 53 0.900 41.216 13.806 46.808 -99.200 -91.000 TYR 54 0.840 42.952 16.590 54.102 -99.200 -91.000 PHE 66 1.000 35.367 15.122 23.560 -99.200 -91.000 HIS 82 0.900 34.448 19.972 62.116 -99.200 -91.000 TYR 89 0.840 36.633 22.639 70.390 -99.200 -91.000 PHE 91 1.000 37.182 18.604 73.130 -99.200 -91.000 PHE 94 1.000 41.851 23.734 68.931 -99.200 -91.000 TRP 98 1.040 42.905 19.011 75.086 -99.200 -91.000 TRP6 98 1.020 41.581 20.868 74.481 -99.200 -91.000 HIS 101 0.900 40.569 13.204 74.611 -99.200 -91.000 TRP 121 1.040 28.084 24.583 30.741 -99.200 -91.000 TRP6 121 1.020 26.181 25.679 29.876 -99.200 -91.000 TYR 153 0.840 22.499 13.122 27.717 -99.200 -91.000 PHE 168 1.000 18.709 16.368 24.382 -99.200 -91.000 TRP 181 1.040 29.026 12.062 21.967 -99.200 -91.000 TRP6 181 1.020 30.820 13.565 22.274 -99.200 -91.000 TRP 182 1.040 31.304 9.310 26.350 -99.200 -91.000 TRP6 182 1.020 29.128 10.221 26.427 -99.200 -91.000 TRP 184 1.040 31.879 6.360 18.710 -99.200 -91.000 TRP6 184 1.020 30.287 7.622 17.511 -99.200 -91.000