============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 46 1.000 16.826 23.057 105.551 -99.200 -91.000 HIS 62 0.900 4.899 32.565 79.423 -99.200 -91.000 PHE 68 1.000 12.927 17.913 78.800 -99.200 -91.000 TYR 75 0.840 21.349 0.782 76.085 -99.200 -91.000 PHE 86 1.000 13.294 12.532 78.327 -99.200 -91.000 HIS 95 0.900 1.078 24.525 73.388 -99.200 -91.000 TYR 96 0.840 2.510 23.976 80.164 -99.200 -91.000 HIS 99 0.900 8.639 32.472 72.031 -99.200 -91.000 TYR 114 0.840 15.493 10.471 66.837 -99.200 -91.000 TRP 117 1.040 14.772 17.781 66.364 -99.200 -91.000 TRP6 117 1.020 15.288 16.351 64.538 -99.200 -91.000 PHE 122 1.000 10.681 23.750 71.555 -99.200 -91.000 TYR 141 0.840 41.000 23.973 85.591 -99.200 -91.000 TRP 157 1.040 36.857 22.312 70.611 -99.200 -91.000 TRP6 157 1.020 35.631 23.551 72.227 -99.200 -91.000 TRP 170 1.040 43.853 19.122 68.759 -99.200 -91.000 TRP6 170 1.020 44.895 20.458 70.416 -99.200 -91.000 HIS 179 0.900 50.930 14.989 65.099 -99.200 -91.000 TRP 201 1.040 26.197 16.211 94.053 -99.200 -91.000 TRP6 201 1.020 24.901 18.068 94.771 -99.200 -91.000 HIS 222 0.900 29.256 25.916 76.728 -99.200 -91.000 TYR 231 0.840 27.241 19.904 61.030 -99.200 -91.000 TYR 232 0.840 33.159 15.275 62.309 -99.200 -91.000 PHE 239 1.000 19.656 15.540 68.070 -99.200 -91.000 HIS 274 0.900 19.297 5.317 61.223 -99.200 -91.000