============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 23 0.900 -34.841 1.416 44.212 -99.200 -91.000 TYR 27 0.840 -28.951 7.971 40.253 -99.200 -91.000 HIS 32 0.900 -37.538 0.110 26.856 -99.200 -91.000 TYR 33 0.840 -42.658 -3.572 29.833 -99.200 -91.000 HIS 34 0.900 -40.156 -5.231 21.944 -99.200 -91.000 PHE 80 1.000 -37.911 15.532 32.447 -99.200 -91.000 PHE 83 1.000 -39.592 7.909 39.127 -99.200 -91.000 PHE 96 1.000 -25.298 -10.954 20.258 -99.200 -91.000 TYR 97 0.840 -31.551 -10.442 14.778 -99.200 -91.000 PHE 122 1.000 -29.782 11.174 16.620 -99.200 -91.000 PHE 128 1.000 -30.585 12.862 30.057 -99.200 -91.000 PHE 152 1.000 -23.589 -12.537 15.955 -99.200 -91.000 TYR 155 0.840 -24.202 -6.684 18.784 -99.200 -91.000 HIS 160 0.900 -16.794 0.051 14.930 -99.200 -91.000 TYR 176 0.840 -26.769 22.391 25.519 -99.200 -91.000 TRP 202 1.040 -17.827 -17.059 23.127 -99.200 -91.000 TRP6 202 1.020 -16.756 -15.267 22.027 -99.200 -91.000 PHE 224 1.000 -15.422 6.066 37.905 -99.200 -91.000 TYR 232 0.840 -11.707 17.421 33.333 -99.200 -91.000 HIS 248 0.900 -2.169 -14.421 20.257 -99.200 -91.000