============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 33 1.000 40.746 18.389 19.218 -99.200 -91.000 HIS 41 0.900 50.129 18.366 15.155 -99.200 -91.000 HIS 49 0.900 54.266 26.258 4.380 -99.200 -91.000 TYR 55 0.840 50.986 41.503 -0.054 -99.200 -91.000 TYR 66 0.840 38.675 16.612 23.055 -99.200 -91.000 PHE 81 1.000 31.809 8.327 13.618 -99.200 -91.000 HIS 100 0.900 37.489 17.869 26.518 -99.200 -91.000 PHE 109 1.000 29.043 33.475 18.140 -99.200 -91.000 HIS 125 0.900 22.048 26.638 25.109 -99.200 -91.000 HIS 127 0.900 25.187 17.469 27.031 -99.200 -91.000 TYR 149 0.840 25.830 31.123 -8.551 -99.200 -91.000 TYR 150 0.840 21.170 26.288 -7.421 -99.200 -91.000 HIS 165 0.900 14.839 36.402 4.750 -99.200 -91.000 HIS 170 0.900 21.573 22.627 6.521 -99.200 -91.000 TYR 180 0.840 9.092 37.023 4.839 -99.200 -91.000 PHE 190 1.000 13.337 41.536 -11.066 -99.200 -91.000 PHE 205 1.000 11.012 28.380 -3.969 -99.200 -91.000 HIS 219 0.900 30.402 9.899 -9.408 -99.200 -91.000 TYR 223 0.840 35.382 19.872 0.118 -99.200 -91.000 TYR 237 0.840 31.935 36.651 18.569 -99.200 -91.000 TYR 255 0.840 9.833 32.237 13.281 -99.200 -91.000 HIS 257 0.900 7.548 25.485 17.156 -99.200 -91.000 PHE 261 1.000 20.016 26.449 20.049 -99.200 -91.000 PHE 289 1.000 9.905 28.075 12.456 -99.200 -91.000 HIS 304 0.900 18.863 8.030 24.479 -99.200 -91.000