============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 22 1.000 3.248 -29.018 -1.513 -99.200 -91.000 PHE 27 1.000 3.500 -39.182 -12.953 -99.200 -91.000 TYR 31 0.840 8.267 -42.030 -3.816 -99.200 -91.000 TYR 39 0.840 8.104 -37.978 1.349 -99.200 -91.000 HIS 47 0.900 0.627 -12.755 0.114 -99.200 -91.000 HIS 51 0.900 9.563 -23.811 9.347 -99.200 -91.000 TYR 66 0.840 -3.939 -42.450 9.360 -99.200 -91.000 TRP 69 1.040 2.196 -36.080 12.873 -99.200 -91.000 TRP6 69 1.020 2.017 -35.674 10.559 -99.200 -91.000 HIS 71 0.900 -1.047 -29.405 12.959 -99.200 -91.000 PHE 73 1.000 -6.401 -36.612 9.143 -99.200 -91.000 TYR 77 0.840 -12.294 -40.112 -5.848 -99.200 -91.000 PHE 85 1.000 -16.496 -42.464 -5.089 -99.200 -91.000 TYR 91 0.840 -7.830 -44.918 4.058 -99.200 -91.000 HIS 98 0.900 -8.995 -40.050 16.363 -99.200 -91.000 TYR 120 0.840 -8.795 -44.137 -21.448 -99.200 -91.000 PHE 135 1.000 -17.906 -39.698 5.166 -99.200 -91.000 PHE 139 1.000 -14.602 -33.948 -5.679 -99.200 -91.000 PHE 140 1.000 -10.193 -28.202 -3.832 -99.200 -91.000 PHE 148 1.000 4.228 -26.555 -7.702 -99.200 -91.000 HIS 150 0.900 -3.606 -29.717 -11.044 -99.200 -91.000 HIS 153 0.900 -6.598 -24.129 -4.761 -99.200 -91.000 PHE 155 1.000 -0.125 -31.792 -1.398 -99.200 -91.000 HIS 156 0.900 0.446 -23.624 -1.042 -99.200 -91.000