============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 23 0.900 11.412 70.131 -64.780 -99.200 -91.000 HIS 26 0.900 6.096 68.768 -70.609 -99.200 -91.000 TYR 28 0.840 11.240 77.625 -67.245 -99.200 -91.000 HIS 32 0.900 1.615 81.432 -71.018 -99.200 -91.000 TYR 33 0.840 -0.741 76.503 -70.051 -99.200 -91.000 TYR 40 0.840 -0.267 89.807 -61.775 -99.200 -91.000 HIS 57 0.900 17.808 76.327 -75.184 -99.200 -91.000 PHE 61 1.000 20.610 70.283 -75.643 -99.200 -91.000 TYR 90 0.840 8.617 85.365 -62.248 -99.200 -91.000 TYR 104 0.840 21.911 72.197 -70.420 -99.200 -91.000 PHE 107 1.000 24.694 67.059 -68.860 -99.200 -91.000 PHE 123 1.000 25.529 69.921 -74.003 -99.200 -91.000 HIS 133 0.900 16.020 81.068 -71.383 -99.200 -91.000 TYR 136 0.840 12.027 87.512 -67.568 -99.200 -91.000 TYR 137 0.840 12.793 82.431 -65.470 -99.200 -91.000 HIS 143 0.900 12.589 94.793 -61.308 -99.200 -91.000 TYR 151 0.840 7.438 94.086 -61.668 -99.200 -91.000 PHE 169 1.000 -1.367 69.495 -92.519 -99.200 -91.000