============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 4 0.840 127.735 48.305 -36.820 -99.200 -91.000 TYR 6 0.840 134.563 55.102 -37.344 -99.200 -91.000 PHE 17 1.000 143.960 38.169 -27.009 -99.200 -91.000 PHE 37 1.000 121.872 24.330 7.991 -99.200 -91.000 TRP 69 1.040 134.130 21.978 4.540 -99.200 -91.000 TRP6 69 1.020 132.900 21.888 6.547 -99.200 -91.000 PHE 80 1.000 123.516 29.993 10.291 -99.200 -91.000 TYR 96 0.840 121.382 33.525 28.509 -99.200 -91.000 PHE 113 1.000 140.284 22.262 11.401 -99.200 -91.000 PHE 127 1.000 119.658 29.147 20.559 -99.200 -91.000 HIS 130 0.900 108.628 32.888 20.311 -99.200 -91.000 TYR 141 0.840 106.324 44.332 18.136 -99.200 -91.000 HIS 158 0.900 127.301 33.175 19.817 -99.200 -91.000 HIS 188 0.900 135.113 39.133 24.697 -99.200 -91.000 TYR 196 0.840 122.842 37.400 9.099 -99.200 -91.000 TYR 200 0.840 115.268 43.286 1.441 -99.200 -91.000 TYR 204 0.840 113.637 33.377 -3.261 -99.200 -91.000 TYR 205 0.840 115.072 34.333 4.852 -99.200 -91.000 PHE 208 1.000 118.659 28.905 8.718 -99.200 -91.000 TYR 226 0.840 111.333 39.568 13.383 -99.200 -91.000 HIS 238 0.900 117.206 56.205 5.148 -99.200 -91.000 TYR 259 0.840 115.616 40.455 -1.737 -99.200 -91.000 PHE 270 1.000 125.595 53.237 3.358 -99.200 -91.000 PHE 275 1.000 131.632 40.097 4.158 -99.200 -91.000 TYR 277 0.840 123.268 32.930 4.670 -99.200 -91.000 TYR 283 0.840 122.730 23.742 -1.747 -99.200 -91.000 HIS 286 0.900 120.871 28.746 -8.421 -99.200 -91.000 TRP 294 1.040 114.715 20.016 -15.430 -99.200 -91.000 TRP6 294 1.020 113.106 20.612 -13.823 -99.200 -91.000 PHE 307 1.000 125.247 35.989 -4.601 -99.200 -91.000 TYR 318 0.840 123.218 27.131 3.125 -99.200 -91.000 PHE 319 1.000 125.183 25.542 -5.057 -99.200 -91.000