============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 7 1.000 27.099 43.889 24.807 -99.200 -91.000 TYR 21 0.840 15.931 55.225 20.126 -99.200 -91.000 PHE 24 1.000 18.410 48.877 24.014 -99.200 -91.000 TRP 35 1.040 40.068 53.169 24.453 -99.200 -91.000 TRP6 35 1.020 41.038 55.298 23.986 -99.200 -91.000 TYR 36 0.840 33.938 55.098 28.840 -99.200 -91.000 HIS 38 0.900 39.260 64.574 25.409 -99.200 -91.000 TYR 46 0.840 41.485 45.381 23.253 -99.200 -91.000 PHE 55 1.000 26.062 44.826 19.910 -99.200 -91.000 PHE 61 1.000 4.492 45.605 18.452 -99.200 -91.000 HIS 71 0.900 31.212 41.794 12.523 -99.200 -91.000 TYR 80 0.840 17.057 38.138 9.788 -99.200 -91.000 TRP 88 1.040 21.284 32.181 14.584 -99.200 -91.000 TRP6 88 1.020 21.415 34.437 15.296 -99.200 -91.000 HIS 97 0.900 27.889 30.069 6.264 -99.200 -91.000 PHE 107 1.000 20.038 41.405 2.317 -99.200 -91.000 TYR 111 0.840 23.000 52.057 6.059 -99.200 -91.000 TYR 127 0.840 15.022 55.123 8.859 -99.200 -91.000 PHE 159 1.000 17.364 49.517 18.250 -99.200 -91.000 PHE 165 1.000 27.872 59.665 13.320 -99.200 -91.000 HIS 171 0.900 15.341 63.082 12.872 -99.200 -91.000 PHE 172 1.000 16.637 57.488 13.489 -99.200 -91.000 PHE 174 1.000 15.190 65.291 20.683 -99.200 -91.000 TRP 187 1.040 21.675 67.372 9.142 -99.200 -91.000 TRP6 187 1.020 23.145 67.002 10.945 -99.200 -91.000 TRP 196 1.040 31.251 55.912 13.914 -99.200 -91.000 TRP6 196 1.020 31.790 53.616 14.059 -99.200 -91.000 PHE 199 1.000 33.165 63.165 10.374 -99.200 -91.000 PHE 201 1.000 43.413 57.448 10.943 -99.200 -91.000 TYR 212 0.840 45.407 63.288 11.821 -99.200 -91.000 PHE 214 1.000 39.890 67.861 13.082 -99.200 -91.000 TYR 220 0.840 21.753 70.982 10.124 -99.200 -91.000 PHE 233 1.000 28.891 67.525 15.015 -99.200 -91.000 HIS 240 0.900 42.433 51.071 10.610 -99.200 -91.000