============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 33 1.000 16.448 -20.245 42.397 -99.200 -91.000 HIS 49 0.900 29.862 -17.858 25.654 -99.200 -91.000 TYR 55 0.840 29.964 -1.966 21.277 -99.200 -91.000 TYR 66 0.840 14.462 -19.969 46.231 -99.200 -91.000 PHE 81 1.000 5.629 -29.798 40.234 -99.200 -91.000 TRP 92 1.040 -5.569 -30.433 30.615 -99.200 -91.000 TRP6 92 1.020 -3.909 -29.436 31.951 -99.200 -91.000 HIS 111 0.900 14.168 -18.755 50.279 -99.200 -91.000 PHE 120 1.000 6.959 -4.009 38.811 -99.200 -91.000 PHE 136 1.000 -0.692 -8.236 47.883 -99.200 -91.000 HIS 138 0.900 1.753 -17.760 50.876 -99.200 -91.000 TYR 160 0.840 1.016 -11.222 13.567 -99.200 -91.000 TYR 161 0.840 -4.074 -14.604 15.739 -99.200 -91.000 HIS 181 0.900 -3.069 -16.013 30.139 -99.200 -91.000 TYR 191 0.840 -13.235 -0.075 26.296 -99.200 -91.000 PHE 201 1.000 -9.800 0.510 9.924 -99.200 -91.000 PHE 216 1.000 -13.334 -10.328 19.632 -99.200 -91.000 TYR 234 0.840 9.681 -21.601 23.620 -99.200 -91.000 TYR 248 0.840 10.353 -1.228 38.750 -99.200 -91.000 TYR 266 0.840 -12.644 -3.262 35.994 -99.200 -91.000 HIS 268 0.900 -15.764 -8.779 40.726 -99.200 -91.000 PHE 272 1.000 -2.935 -9.491 43.064 -99.200 -91.000 PHE 300 1.000 -12.983 -7.217 35.410 -99.200 -91.000