============================================================================= 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 12 1.000 -5.022 9.039 40.279 -99.200 -91.000 TYR 17 0.840 -1.136 12.375 43.054 -99.200 -91.000 PHE 18 1.000 -4.777 15.472 41.410 -99.200 -91.000 TRP 23 1.040 1.672 13.343 46.327 -99.200 -91.000 TRP6 23 1.020 1.832 11.097 47.037 -99.200 -91.000 TYR 24 0.840 8.118 16.147 51.209 -99.200 -91.000 TYR 28 0.840 16.418 13.596 39.267 -99.200 -91.000 TYR 40 0.840 16.178 20.438 40.115 -99.200 -91.000 TYR 58 0.840 11.455 24.132 46.674 -99.200 -91.000 HIS 59 0.900 10.746 22.323 39.288 -99.200 -91.000 TYR 60 0.840 17.790 24.909 46.750 -99.200 -91.000 PHE 68 1.000 12.294 26.398 38.626 -99.200 -91.000 TYR 69 0.840 8.317 27.935 46.279 -99.200 -91.000 TYR 82 0.840 -5.129 14.560 36.203 -99.200 -91.000 PHE 86 1.000 4.860 26.002 32.943 -99.200 -91.000 TYR 104 0.840 1.587 21.638 26.580 -99.200 -91.000 TYR 105 0.840 2.814 20.416 34.923 -99.200 -91.000 PHE 107 1.000 1.349 15.117 37.934 -99.200 -91.000 TYR 111 0.840 1.590 2.092 43.142 -99.200 -91.000 HIS 120 0.900 5.589 10.882 30.832 -99.200 -91.000 HIS 124 0.900 5.116 19.608 25.538 -99.200 -91.000 TYR 134 0.840 8.968 7.517 32.806 -99.200 -91.000 PHE 160 1.000 14.169 3.095 42.998 -99.200 -91.000 PHE 163 1.000 13.037 5.979 38.018 -99.200 -91.000 TYR 173 0.840 11.827 18.906 50.060 -99.200 -91.000