============================================================================= 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. TYR 3 0.840 34.218 -77.020 42.962 -99.200 -91.000 HIS 6 0.900 34.897 -77.474 48.434 -99.200 -91.000 PHE 10 1.000 50.127 -82.278 45.518 -99.200 -91.000 TYR 17 0.840 44.567 -75.189 51.786 -99.200 -91.000 TYR 21 0.840 40.638 -77.167 55.716 -99.200 -91.000 PHE 23 1.000 47.701 -84.064 60.708 -99.200 -91.000 TYR 62 0.840 37.106 -91.104 72.412 -99.200 -91.000 PHE 64 1.000 38.937 -98.164 69.987 -99.200 -91.000 PHE 95 1.000 51.993-109.997 60.007 -99.200 -91.000 TYR 97 0.840 44.432-118.114 57.060 -99.200 -91.000 TYR 99 0.840 52.195-112.409 55.675 -99.200 -91.000 TYR 101 0.840 55.719-112.789 61.898 -99.200 -91.000 TYR 119 0.840 41.619 -93.957 53.706 -99.200 -91.000 TYR 124 0.840 37.064 -94.044 46.338 -99.200 -91.000 PHE 134 1.000 48.062 -98.458 65.577 -99.200 -91.000 TYR 146 0.840 57.051 -98.221 66.005 -99.200 -91.000 TYR 153 0.840 55.703 -88.422 60.046 -99.200 -91.000 TYR 154 0.840 55.455 -96.014 60.036 -99.200 -91.000 TYR 157 0.840 56.181 -90.233 68.063 -99.200 -91.000 HIS 176 0.900 61.935 -88.674 83.221 -99.200 -91.000 PHE 177 1.000 61.871 -89.967 78.460 -99.200 -91.000 HIS 183 0.900 64.649 -97.531 79.766 -99.200 -91.000 TRP 188 1.040 51.862-103.846 85.316 -99.200 -91.000 TRP6 188 1.020 49.849-102.800 85.989 -99.200 -91.000 PHE 194 1.000 57.776 -90.786 84.177 -99.200 -91.000 HIS 198 0.900 56.957 -86.704 84.590 -99.200 -91.000 PHE 207 1.000 44.333 -86.058 85.219 -99.200 -91.000 PHE 222 1.000 46.442-102.484 75.323 -99.200 -91.000 PHE 223 1.000 47.552-105.340 81.882 -99.200 -91.000