============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 8 0.840 -24.846 63.806 19.226 -99.200 -91.000 HIS 12 0.900 -31.648 65.021 14.313 -99.200 -91.000 PHE 61 1.000 -8.517 67.963 9.413 -99.200 -91.000 HIS 79 0.900 -1.417 47.464 14.524 -99.200 -91.000 PHE 116 1.000 -19.834 68.772 2.402 -99.200 -91.000 TYR 158 0.840 4.286 62.634 -10.706 -99.200 -91.000 TYR 171 0.840 -4.528 73.798 -7.499 -99.200 -91.000 PHE 176 1.000 -19.197 74.835 0.508 -99.200 -91.000 HIS 181 0.900 -13.585 85.657 11.868 -99.200 -91.000 HIS 218 0.900 -26.615 49.780 -18.635 -99.200 -91.000 TYR 227 0.840 -36.754 57.503 -6.576 -99.200 -91.000 HIS 232 0.900 -43.842 50.764 2.221 -99.200 -91.000 PHE 243 1.000 -42.921 71.615 -3.128 -99.200 -91.000 TYR 250 0.840 -38.047 64.931 5.637 -99.200 -91.000