============================================================================= 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. TYR 3 0.840 39.639 14.200 3.553 -99.200 -91.000 TYR 21 0.840 19.944 4.647 0.059 -99.200 -91.000 TYR 30 0.840 26.786 5.082 15.291 -99.200 -91.000 TRP 39 1.040 23.522 18.304 26.286 -99.200 -91.000 TRP6 39 1.020 23.756 20.523 25.453 -99.200 -91.000 TYR 42 0.840 28.119 22.843 25.891 -99.200 -91.000 HIS 50 0.900 29.906 26.033 44.540 -99.200 -91.000 PHE 66 1.000 32.758 4.318 20.891 -99.200 -91.000 HIS 70 0.900 29.640 -3.003 18.901 -99.200 -91.000 HIS 81 0.900 31.268 -7.722 12.981 -99.200 -91.000 PHE 83 1.000 22.445 -7.172 19.647 -99.200 -91.000 PHE 85 1.000 24.342 -1.188 27.641 -99.200 -91.000 TRP 93 1.040 27.104 3.498 38.426 -99.200 -91.000 TRP6 93 1.020 27.160 4.951 36.560 -99.200 -91.000 TYR 101 0.840 22.911 11.952 42.190 -99.200 -91.000 PHE 111 1.000 2.756 18.013 37.309 -99.200 -91.000 HIS 124 0.900 15.873 19.538 34.328 -99.200 -91.000 PHE 153 1.000 22.766 3.150 30.110 -99.200 -91.000 TYR 160 0.840 22.764 10.254 36.027 -99.200 -91.000 PHE 161 1.000 21.868 12.383 31.199 -99.200 -91.000 PHE 162 1.000 12.968 15.256 37.181 -99.200 -91.000 TYR 167 0.840 23.740 15.486 44.236 -99.200 -91.000 TYR 170 0.840 21.166 19.293 48.136 -99.200 -91.000 TYR 179 0.840 2.106 24.472 35.052 -99.200 -91.000