============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 12 0.840 69.598 55.568 -3.150 -99.200 -91.000 TYR 13 0.840 65.549 57.435 -5.693 -99.200 -91.000 HIS 21 0.900 58.420 47.615 -0.132 -99.200 -91.000 HIS 31 0.900 74.449 47.962 -15.784 -99.200 -91.000 PHE 47 1.000 73.309 50.659 2.789 -99.200 -91.000 PHE 70 1.000 59.452 55.363 -18.423 -99.200 -91.000 TYR 120 0.840 65.366 67.932 -5.313 -99.200 -91.000 HIS 129 0.900 79.813 49.058 -7.121 -99.200 -91.000 HIS 132 0.900 73.286 57.779 -1.533 -99.200 -91.000 HIS 133 0.900 79.588 59.051 -5.937 -99.200 -91.000 HIS 145 0.900 48.779 53.686 -5.354 -99.200 -91.000 PHE 153 1.000 59.112 55.585 -3.029 -99.200 -91.000 TRP 171 1.040 59.545 74.434 -16.398 -99.200 -91.000 TRP6 171 1.020 60.323 75.523 -18.344 -99.200 -91.000 TYR 180 0.840 76.716 75.646 -12.948 -99.200 -91.000 TYR 191 0.840 79.032 71.426 -12.586 -99.200 -91.000 PHE 210 1.000 66.198 82.767 -14.057 -99.200 -91.000 HIS 255 0.900 64.300 65.253 -24.341 -99.200 -91.000 HIS 278 0.900 70.026 71.612 -29.404 -99.200 -91.000 HIS 290 0.900 76.548 60.205 -37.730 -99.200 -91.000