============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 34 0.900 65.502 30.394 21.759 -99.200 -91.000 TRP 35 1.040 59.066 35.230 23.801 -99.200 -91.000 TRP6 35 1.020 57.967 36.963 22.624 -99.200 -91.000 TYR 36 0.840 67.667 37.186 23.425 -99.200 -91.000 HIS 41 0.900 70.575 55.504 26.800 -99.200 -91.000 TYR 50 0.840 65.559 25.698 23.076 -99.200 -91.000 PHE 62 1.000 59.788 39.820 32.669 -99.200 -91.000 PHE 71 1.000 56.430 30.263 18.787 -99.200 -91.000 PHE 83 1.000 56.467 50.503 31.764 -99.200 -91.000 TYR 86 0.840 59.728 43.359 27.132 -99.200 -91.000 PHE 87 1.000 64.187 43.920 19.542 -99.200 -91.000 TRP 94 1.040 73.047 30.292 9.505 -99.200 -91.000 TRP6 94 1.020 73.503 31.471 11.499 -99.200 -91.000 TYR 96 0.840 70.704 30.420 15.383 -99.200 -91.000 PHE 98 1.000 67.900 38.645 17.198 -99.200 -91.000 PHE 118 1.000 63.126 78.790 19.450 -99.200 -91.000 PHE 135 1.000 64.019 73.259 20.203 -99.200 -91.000 PHE 139 1.000 55.002 65.006 21.569 -99.200 -91.000 TYR 140 0.840 51.105 59.233 26.935 -99.200 -91.000 TRP 148 1.040 59.071 72.028 9.443 -99.200 -91.000 TRP6 148 1.020 59.746 74.070 10.429 -99.200 -91.000 TRP 163 1.040 60.161 61.947 17.002 -99.200 -91.000 TRP6 163 1.020 60.979 61.299 14.882 -99.200 -91.000 TYR 173 0.840 56.604 59.138 24.349 -99.200 -91.000 TYR 186 0.840 65.139 82.671 6.573 -99.200 -91.000 HIS 189 0.900 60.418 80.632 -0.735 -99.200 -91.000 TYR 192 0.840 60.747 80.635 5.963 -99.200 -91.000 HIS 198 0.900 49.270 64.962 21.047 -99.200 -91.000 PHE 209 1.000 60.312 82.524 11.133 -99.200 -91.000