============================================================================= 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. PHE 26 1.000 0.082 24.538 11.274 -99.200 -91.000 HIS 39 0.900 12.778 18.688 29.207 -99.200 -91.000 PHE 58 1.000 6.328 25.058 27.031 -99.200 -91.000 PHE 59 1.000 -0.824 23.027 29.069 -99.200 -91.000 HIS 61 0.900 0.166 17.066 27.361 -99.200 -91.000 TRP 69 1.040 -3.202 14.521 25.314 -99.200 -91.000 TRP6 69 1.020 -3.053 15.680 23.278 -99.200 -91.000 PHE 73 1.000 -7.841 19.755 22.386 -99.200 -91.000 PHE 80 1.000 -3.295 31.430 21.265 -99.200 -91.000 TRP 106 1.040 5.373 -3.054 23.863 -99.200 -91.000 TRP6 106 1.020 5.456 -3.256 21.518 -99.200 -91.000 PHE 118 1.000 -7.516 6.293 22.570 -99.200 -91.000 PHE 119 1.000 -4.204 8.792 26.569 -99.200 -91.000 PHE 146 1.000 3.026 4.602 3.855 -99.200 -91.000 TYR 155 0.840 9.712 6.037 15.236 -99.200 -91.000 TYR 178 0.840 -18.621 13.437 14.985 -99.200 -91.000 HIS 186 0.900 2.667 8.163 6.893 -99.200 -91.000 TYR 189 0.840 16.070 8.298 8.430 -99.200 -91.000 HIS 215 0.900 18.728 16.631 -0.363 -99.200 -91.000 TYR 224 0.840 6.867 25.728 3.097 -99.200 -91.000 TYR 228 0.840 -3.143 19.916 0.776 -99.200 -91.000 PHE 236 1.000 -13.615 14.751 -2.027 -99.200 -91.000 PHE 242 1.000 -2.096 14.022 2.303 -99.200 -91.000 TYR 248 0.840 13.987 5.018 3.895 -99.200 -91.000