============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 11 1.000 88.710 18.599 -13.419 -99.200 -91.000 TRP 15 1.040 78.897 7.193 -16.496 -99.200 -91.000 TRP6 15 1.020 76.981 8.320 -17.314 -99.200 -91.000 PHE 28 1.000 72.589 13.922 -11.904 -99.200 -91.000 PHE 35 1.000 93.183 18.560 -10.727 -99.200 -91.000 HIS 38 0.900 96.897 23.152 -22.986 -99.200 -91.000 PHE 54 1.000 97.892 44.930 -16.775 -99.200 -91.000 TYR 55 0.840 97.786 48.467 -27.097 -99.200 -91.000 PHE 60 1.000 88.116 42.910 -23.323 -99.200 -91.000 TYR 62 0.840 84.111 31.138 -22.067 -99.200 -91.000 TRP 98 1.040 91.046 49.010 -14.688 -99.200 -91.000 TRP6 98 1.020 92.947 48.112 -15.766 -99.200 -91.000 PHE 105 1.000 89.949 40.378 -11.982 -99.200 -91.000 TYR 117 0.840 64.197 16.254 -3.787 -99.200 -91.000 TYR 123 0.840 84.997 29.797 -9.327 -99.200 -91.000 HIS 141 0.900 88.280 25.030 -3.313 -99.200 -91.000 PHE 144 1.000 81.639 16.373 -5.776 -99.200 -91.000 PHE 147 1.000 85.856 23.804 -6.780 -99.200 -91.000 PHE 149 1.000 90.453 28.321 -8.913 -99.200 -91.000 TYR 150 0.840 95.443 25.129 -14.957 -99.200 -91.000 PHE 155 1.000 98.193 36.734 -27.102 -99.200 -91.000 PHE 158 1.000 96.445 28.008 -20.277 -99.200 -91.000 TYR 162 0.840 93.706 25.750 -4.488 -99.200 -91.000 HIS 164 0.900 89.488 20.509 -3.170 -99.200 -91.000 PHE 166 1.000 85.972 14.442 -6.064 -99.200 -91.000 TYR 181 0.840 88.831 21.941 1.249 -99.200 -91.000 PHE 183 1.000 92.898 29.486 -4.029 -99.200 -91.000