============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 35 1.040 27.555 75.112 111.086 -99.200 -91.000 TRP6 35 1.020 28.684 73.062 111.432 -99.200 -91.000 TYR 36 0.840 22.298 73.477 104.788 -99.200 -91.000 TYR 49 0.840 21.455 83.201 106.984 -99.200 -91.000 PHE 62 1.000 19.687 73.796 117.075 -99.200 -91.000 PHE 71 1.000 34.025 78.169 108.814 -99.200 -91.000 PHE 83 1.000 19.716 60.284 115.557 -99.200 -91.000 TYR 86 0.840 22.760 68.576 114.130 -99.200 -91.000 TYR 87 0.840 24.997 65.797 106.089 -99.200 -91.000 TYR 91 0.840 27.229 80.299 101.715 -99.200 -91.000 TRP 94 1.040 31.588 83.627 90.028 -99.200 -91.000 TRP6 94 1.020 29.243 83.739 90.306 -99.200 -91.000 TYR 97 0.840 28.133 77.939 96.185 -99.200 -91.000 PHE 99 1.000 25.672 70.472 100.936 -99.200 -91.000 PHE 117 1.000 6.193 43.631 122.901 -99.200 -91.000 PHE 119 1.000 4.760 40.832 116.645 -99.200 -91.000 PHE 140 1.000 17.373 48.049 121.665 -99.200 -91.000 TYR 141 0.840 21.515 55.153 124.494 -99.200 -91.000 TRP 149 1.040 15.823 34.705 115.463 -99.200 -91.000 TRP6 149 1.020 13.477 34.675 115.755 -99.200 -91.000 TYR 174 0.840 19.734 53.543 119.041 -99.200 -91.000 TYR 187 0.840 6.404 27.815 111.295 -99.200 -91.000 HIS 190 0.900 12.591 22.038 113.258 -99.200 -91.000 TYR 193 0.840 9.641 27.653 114.897 -99.200 -91.000 HIS 199 0.900 20.107 46.976 125.989 -99.200 -91.000 PHE 210 1.000 6.015 30.980 117.215 -99.200 -91.000