============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 7 0.840 37.309 -42.678 23.234 -99.200 -91.000 TRP 9 1.040 33.204 -38.001 28.359 -99.200 -91.000 TRP6 9 1.020 32.513 -37.112 30.431 -99.200 -91.000 TYR 21 0.840 35.267 -41.112 29.819 -99.200 -91.000 TRP 32 1.040 40.194 -47.112 29.484 -99.200 -91.000 TRP6 32 1.020 38.835 -46.099 27.835 -99.200 -91.000 PHE 41 1.000 32.732 -26.202 42.897 -99.200 -91.000 TRP 46 1.040 34.897 -30.292 27.726 -99.200 -91.000 TRP6 46 1.020 33.013 -30.126 26.314 -99.200 -91.000 TRP 56 1.040 51.032 -35.708 29.609 -99.200 -91.000 TRP6 56 1.020 50.424 -37.996 29.470 -99.200 -91.000 TRP 60 1.040 52.449 -42.006 27.754 -99.200 -91.000 TRP6 60 1.020 51.294 -43.628 26.481 -99.200 -91.000 PHE 75 1.000 41.677 -37.587 39.212 -99.200 -91.000 TYR 94 0.840 33.045 -50.487 43.941 -99.200 -91.000 TYR 115 0.840 18.044 -23.859 47.352 -99.200 -91.000 HIS 135 0.900 28.913 -40.332 64.576 -99.200 -91.000 TRP 144 1.040 26.102 -20.259 55.482 -99.200 -91.000 TRP6 144 1.020 26.442 -22.153 56.852 -99.200 -91.000 PHE 152 1.000 24.363 -25.669 59.973 -99.200 -91.000 TYR 155 0.840 16.214 -21.822 64.290 -99.200 -91.000 TYR 160 0.840 19.731 -34.151 68.481 -99.200 -91.000 PHE 166 1.000 33.874 -33.777 56.693 -99.200 -91.000 PHE 180 1.000 30.277 -22.862 62.000 -99.200 -91.000 TRP 190 1.040 41.418 -26.189 56.993 -99.200 -91.000 TRP6 190 1.020 40.103 -24.291 57.498 -99.200 -91.000 PHE 199 1.000 45.451 -26.080 53.377 -99.200 -91.000 PHE 201 1.000 47.728 -30.832 53.940 -99.200 -91.000 HIS 231 0.900 45.175 -40.700 56.302 -99.200 -91.000 TRP 258 1.040 47.144 -46.914 46.639 -99.200 -91.000 TRP6 258 1.020 47.851 -45.434 44.947 -99.200 -91.000 TRP 281 1.040 28.531 -46.983 42.372 -99.200 -91.000 TRP6 281 1.020 30.516 -46.066 43.271 -99.200 -91.000