============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 3 0.840 60.826 68.750 24.010 -99.200 -91.000 PHE 7 1.000 65.347 74.948 21.669 -99.200 -91.000 PHE 31 1.000 66.694 85.578 14.955 -99.200 -91.000 HIS 99 0.900 73.221 111.981 29.661 -99.200 -91.000 TRP 109 1.040 65.947 113.029 27.950 -99.200 -91.000 TRP6 109 1.020 66.515 111.810 29.965 -99.200 -91.000 PHE 121 1.000 54.392 102.978 19.306 -99.200 -91.000 TRP 122 1.040 59.090 106.373 15.533 -99.200 -91.000 TRP6 122 1.020 57.030 107.190 16.501 -99.200 -91.000 PHE 127 1.000 59.590 95.882 9.662 -99.200 -91.000 PHE 155 1.000 77.563 109.268 37.617 -99.200 -91.000 TYR 159 0.840 72.046 102.121 27.458 -99.200 -91.000 HIS 167 0.900 64.156 96.028 30.575 -99.200 -91.000 TRP 177 1.040 49.758 94.124 19.200 -99.200 -91.000 TRP6 177 1.020 51.884 94.846 18.400 -99.200 -91.000 TYR 191 0.840 78.826 96.759 31.724 -99.200 -91.000 PHE 207 1.000 86.448 95.298 30.379 -99.200 -91.000 TRP 210 1.040 81.820 98.779 33.022 -99.200 -91.000 TRP6 210 1.020 81.695 98.843 30.629 -99.200 -91.000 PHE 231 1.000 63.616 80.175 25.281 -99.200 -91.000 TYR 239 0.840 51.822 79.553 29.100 -99.200 -91.000 TYR 251 0.840 76.294 94.817 36.821 -99.200 -91.000 TRP 254 1.040 77.141 89.523 43.737 -99.200 -91.000 TRP6 254 1.020 79.151 89.590 42.487 -99.200 -91.000