============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 8 0.900 51.430 -2.520 29.879 -99.200 -91.000 TYR 13 0.840 49.613 -3.767 15.870 -99.200 -91.000 TYR 15 0.840 55.657 -12.174 20.681 -99.200 -91.000 TYR 22 0.840 58.886 -9.047 22.443 -99.200 -91.000 TYR 23 0.840 59.501 -4.574 28.793 -99.200 -91.000 TRP 36 1.040 41.934 -15.931 14.378 -99.200 -91.000 TRP6 36 1.020 42.012 -13.578 14.218 -99.200 -91.000 HIS 42 0.900 43.094 -8.683 13.529 -99.200 -91.000 TRP 48 1.040 42.497 0.129 6.104 -99.200 -91.000 TRP6 48 1.020 42.191 1.797 7.741 -99.200 -91.000 HIS 54 0.900 41.886 7.909 -0.678 -99.200 -91.000 PHE 64 1.000 47.730 12.971 7.675 -99.200 -91.000 HIS 78 0.900 57.088 11.136 11.457 -99.200 -91.000 TYR 92 0.840 53.129 10.166 15.189 -99.200 -91.000 TYR 117 0.840 53.742 10.327 22.750 -99.200 -91.000 HIS 152 0.900 40.090 -2.869 18.453 -99.200 -91.000 PHE 153 1.000 42.671 -3.171 23.052 -99.200 -91.000 TYR 176 0.840 38.862 13.196 3.907 -99.200 -91.000 PHE 185 1.000 33.745 -10.461 8.281 -99.200 -91.000 TYR 197 0.840 43.965 -8.612 23.245 -99.200 -91.000 HIS 207 0.900 28.858 -2.726 7.570 -99.200 -91.000 PHE 213 1.000 32.823 4.034 16.616 -99.200 -91.000 PHE 214 1.000 33.607 5.675 9.942 -99.200 -91.000 HIS 228 0.900 40.594 -9.160 3.728 -99.200 -91.000 TRP 230 1.040 39.210 1.560 2.665 -99.200 -91.000 TRP6 230 1.020 41.009 3.016 2.111 -99.200 -91.000 HIS 231 0.900 40.585 3.038 -1.810 -99.200 -91.000 TYR 247 0.840 33.270 -4.852 9.815 -99.200 -91.000