============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 30 0.840 3.341 70.359 30.457 -99.200 -91.000 TYR 36 0.840 8.818 71.840 28.808 -99.200 -91.000 TRP 39 1.040 19.976 66.342 22.212 -99.200 -91.000 TRP6 39 1.020 20.521 64.056 21.961 -99.200 -91.000 TYR 53 0.840 17.767 76.542 26.341 -99.200 -91.000 PHE 66 1.000 28.268 70.285 19.633 -99.200 -91.000 PHE 75 1.000 12.313 64.494 20.494 -99.200 -91.000 TYR 90 0.840 28.173 64.554 22.438 -99.200 -91.000 TYR 91 0.840 24.701 60.054 29.697 -99.200 -91.000 HIS 97 0.900 5.213 62.579 29.377 -99.200 -91.000 PHE 98 1.000 8.185 64.011 39.526 -99.200 -91.000 TYR 100 0.840 12.107 66.236 35.660 -99.200 -91.000 PHE 102 1.000 19.404 62.264 32.978 -99.200 -91.000 PHE 122 1.000 59.628 54.287 34.985 -99.200 -91.000 PHE 139 1.000 54.235 54.494 34.200 -99.200 -91.000 PHE 143 1.000 48.828 53.971 23.214 -99.200 -91.000 TYR 144 0.840 43.568 57.223 17.279 -99.200 -91.000 TRP 152 1.040 55.419 43.156 30.273 -99.200 -91.000 TRP6 152 1.020 56.957 44.499 31.455 -99.200 -91.000 TRP 167 1.040 45.062 50.854 26.403 -99.200 -91.000 TRP6 167 1.020 44.943 48.623 27.148 -99.200 -91.000 TYR 177 0.840 42.911 56.167 23.119 -99.200 -91.000 TYR 190 0.840 63.871 42.002 39.732 -99.200 -91.000 HIS 193 0.900 64.114 34.158 34.785 -99.200 -91.000 TYR 196 0.840 63.397 40.994 34.674 -99.200 -91.000 HIS 202 0.900 51.581 52.349 15.768 -99.200 -91.000 PHE 213 1.000 64.663 46.372 34.498 -99.200 -91.000