============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 4 0.900 41.473 86.678 56.394 -99.200 -91.000 HIS 18 0.900 32.243 72.398 52.064 -99.200 -91.000 TYR 23 0.840 28.176 75.003 40.058 -99.200 -91.000 PHE 34 1.000 35.136 83.059 57.808 -99.200 -91.000 TRP 37 1.040 35.521 73.621 67.256 -99.200 -91.000 TRP6 37 1.020 35.725 71.489 66.245 -99.200 -91.000 PHE 57 1.000 24.523 64.265 47.106 -99.200 -91.000 PHE 60 1.000 28.307 59.608 46.000 -99.200 -91.000 PHE 73 1.000 28.631 66.967 49.500 -99.200 -91.000 PHE 80 1.000 36.758 72.518 41.024 -99.200 -91.000 PHE 85 1.000 40.112 81.764 56.698 -99.200 -91.000 PHE 94 1.000 24.505 90.088 55.967 -99.200 -91.000 PHE 99 1.000 26.470 92.851 51.529 -99.200 -91.000 PHE 102 1.000 32.217 92.367 62.438 -99.200 -91.000 PHE 126 1.000 16.112 59.046 75.041 -99.200 -91.000 PHE 136 1.000 21.000 50.817 72.336 -99.200 -91.000 TRP 137 1.040 22.682 59.704 66.251 -99.200 -91.000 TRP6 137 1.020 20.601 60.776 65.976 -99.200 -91.000 PHE 153 1.000 15.102 52.346 61.492 -99.200 -91.000 PHE 173 1.000 8.479 58.391 54.050 -99.200 -91.000 TYR 177 0.840 9.643 52.826 54.388 -99.200 -91.000 TYR 182 0.840 3.935 51.432 69.901 -99.200 -91.000 HIS 185 0.900 2.759 65.713 72.311 -99.200 -91.000 PHE 190 1.000 -0.751 63.838 68.445 -99.200 -91.000 TRP 210 1.040 -3.305 60.850 73.775 -99.200 -91.000 TRP6 210 1.020 -2.768 62.486 72.154 -99.200 -91.000 TYR 218 0.840 14.433 48.538 76.758 -99.200 -91.000 PHE 248 1.000 12.814 56.954 62.192 -99.200 -91.000 PHE 249 1.000 15.321 61.828 69.579 -99.200 -91.000 HIS 253 0.900 13.776 69.673 61.158 -99.200 -91.000 PHE 259 1.000 24.813 83.580 61.334 -99.200 -91.000 TYR 271 0.840 13.130 76.877 58.661 -99.200 -91.000 PHE 287 1.000 23.184 86.652 46.196 -99.200 -91.000 TYR 297 0.840 10.577 70.686 48.414 -99.200 -91.000 HIS 316 0.900 22.375 88.602 37.522 -99.200 -91.000 TYR 317 0.840 25.225 91.955 44.557 -99.200 -91.000