============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 12 1.000 13.541 79.592 15.391 -99.200 -91.000 TYR 18 0.840 20.601 78.491 25.710 -99.200 -91.000 PHE 33 1.000 15.537 57.417 28.803 -99.200 -91.000 TYR 52 0.840 16.021 54.734 24.186 -99.200 -91.000 TYR 53 0.840 8.042 56.163 21.166 -99.200 -91.000 TRP 58 1.040 15.620 73.081 25.897 -99.200 -91.000 TRP6 58 1.020 15.444 71.148 24.568 -99.200 -91.000 TRP 65 1.040 5.106 83.256 20.641 -99.200 -91.000 TRP6 65 1.020 6.091 81.101 20.693 -99.200 -91.000 TYR 70 0.840 5.431 87.318 16.990 -99.200 -91.000 PHE 76 1.000 7.874 77.980 16.758 -99.200 -91.000 TRP 84 1.040 21.996 74.341 23.074 -99.200 -91.000 TRP6 84 1.020 21.025 73.254 24.932 -99.200 -91.000 TYR 91 0.840 27.075 59.749 30.685 -99.200 -91.000 HIS 109 0.900 2.661 81.353 25.746 -99.200 -91.000 PHE 115 1.000 14.693 66.387 19.560 -99.200 -91.000 PHE 123 1.000 21.722 48.551 27.641 -99.200 -91.000 PHE 142 1.000 19.938 56.818 28.102 -99.200 -91.000 TRP 145 1.040 30.799 63.173 25.372 -99.200 -91.000 TRP6 145 1.020 30.830 60.976 26.224 -99.200 -91.000 TYR 147 0.840 26.687 72.202 27.820 -99.200 -91.000 PHE 150 1.000 29.070 73.738 40.000 -99.200 -91.000 TYR 166 0.840 8.470 46.002 26.445 -99.200 -91.000 TYR 167 0.840 5.853 43.633 19.696 -99.200 -91.000 TYR 172 0.840 14.682 39.143 25.183 -99.200 -91.000 HIS 185 0.900 29.662 65.750 44.040 -99.200 -91.000 TYR 189 0.840 31.192 66.007 35.883 -99.200 -91.000 PHE 198 1.000 16.474 42.194 29.708 -99.200 -91.000