============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 11.350 51.688 36.713 -99.200 -91.000 PHE 11 1.000 11.105 37.449 45.425 -99.200 -91.000 TYR 49 0.840 -0.436 60.681 52.553 -99.200 -91.000 TYR 60 0.840 5.307 53.785 34.383 -99.200 -91.000 TYR 68 0.840 -6.647 50.575 42.663 -99.200 -91.000 TRP 75 1.040 4.175 64.474 40.971 -99.200 -91.000 TRP6 75 1.020 4.832 62.492 39.854 -99.200 -91.000 PHE 88 1.000 4.486 58.227 57.284 -99.200 -91.000 TYR 97 0.840 21.990 51.818 44.406 -99.200 -91.000 PHE 105 1.000 19.977 55.435 60.422 -99.200 -91.000 PHE 112 1.000 8.834 53.193 60.476 -99.200 -91.000 TYR 119 0.840 16.661 48.901 53.931 -99.200 -91.000 TYR 121 0.840 22.026 38.822 51.669 -99.200 -91.000 PHE 123 1.000 21.902 50.209 54.343 -99.200 -91.000 TYR 136 0.840 27.406 44.888 66.542 -99.200 -91.000 PHE 160 1.000 14.809 44.400 42.532 -99.200 -91.000 TYR 161 0.840 15.701 45.207 32.048 -99.200 -91.000 TYR 167 0.840 20.624 36.781 45.146 -99.200 -91.000 TYR 180 0.840 18.345 48.714 73.739 -99.200 -91.000 HIS 181 0.900 17.160 56.875 80.082 -99.200 -91.000 PHE 187 1.000 28.096 61.289 75.160 -99.200 -91.000 PHE 188 1.000 23.039 55.272 70.782 -99.200 -91.000 PHE 191 1.000 30.194 55.569 73.502 -99.200 -91.000 PHE 196 1.000 30.276 50.159 65.920 -99.200 -91.000 HIS 198 0.900 39.822 54.955 65.442 -99.200 -91.000 TYR 216 0.840 34.999 66.059 76.090 -99.200 -91.000 PHE 228 1.000 33.022 56.066 82.256 -99.200 -91.000 PHE 244 1.000 34.994 42.645 66.428 -99.200 -91.000 PHE 258 1.000 32.791 58.953 78.065 -99.200 -91.000 TYR 259 0.840 24.677 63.379 78.351 -99.200 -91.000 PHE 261 1.000 33.545 60.795 84.260 -99.200 -91.000