============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 35 0.840 -20.526 49.376 95.760 -99.200 -91.000 PHE 38 1.000 -26.351 50.328 94.199 -99.200 -91.000 TYR 39 0.840 -20.914 53.622 99.499 -99.200 -91.000 PHE 40 1.000 -19.411 58.355 97.545 -99.200 -91.000 HIS 47 0.900 -23.856 65.840 100.057 -99.200 -91.000 PHE 55 1.000 -16.630 53.366 97.563 -99.200 -91.000 TYR 68 0.840 -21.582 37.091 92.593 -99.200 -91.000 TYR 70 0.840 -30.352 40.292 102.324 -99.200 -91.000 TYR 85 0.840 -19.803 56.916 109.674 -99.200 -91.000 TRP 116 1.040 -19.311 12.932 102.357 -99.200 -91.000 TRP6 116 1.020 -20.871 12.854 104.117 -99.200 -91.000 HIS 125 0.900 -18.510 15.824 115.759 -99.200 -91.000 TYR 141 0.840 -33.196 25.455 116.244 -99.200 -91.000 TYR 152 0.840 -28.581 11.540 116.148 -99.200 -91.000 TYR 156 0.840 -18.271 21.496 118.048 -99.200 -91.000 TYR 159 0.840 -24.074 33.644 116.083 -99.200 -91.000 PHE 163 1.000 -9.629 35.470 113.921 -99.200 -91.000 PHE 196 1.000 -24.458 49.975 101.946 -99.200 -91.000 HIS 203 0.900 -15.602 58.473 111.313 -99.200 -91.000 PHE 213 1.000 -14.494 43.436 104.839 -99.200 -91.000 PHE 235 1.000 -6.680 21.302 98.867 -99.200 -91.000 TRP 239 1.040 1.843 22.423 113.354 -99.200 -91.000 TRP6 239 1.020 2.020 24.750 113.001 -99.200 -91.000 HIS 255 0.900 -15.388 48.674 118.400 -99.200 -91.000 PHE 263 1.000 -12.889 47.257 108.054 -99.200 -91.000 HIS 264 0.900 -14.190 51.365 114.523 -99.200 -91.000 PHE 285 1.000 4.815 25.018 105.346 -99.200 -91.000 TYR 293 0.840 9.034 29.982 103.610 -99.200 -91.000 PHE 297 1.000 -1.404 22.978 98.655 -99.200 -91.000 TRP 298 1.040 2.313 30.439 99.387 -99.200 -91.000 TRP6 298 1.020 2.386 32.008 101.145 -99.200 -91.000 TYR 332 0.840 -16.746 34.212 93.878 -99.200 -91.000 PHE 342 1.000 -17.095 31.428 97.967 -99.200 -91.000 TRP 365 1.040 4.671 18.521 102.423 -99.200 -91.000 TRP6 365 1.020 3.452 17.767 104.293 -99.200 -91.000 PHE 369 1.000 0.180 31.907 106.207 -99.200 -91.000 PHE 371 1.000 -3.040 36.985 106.301 -99.200 -91.000