============================================================================= 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. PHE 6 1.000 -17.639 3.341 32.570 -99.200 -91.000 HIS 17 0.900 -14.237 8.274 15.231 -99.200 -91.000 HIS 28 0.900 -28.529 -1.400 7.392 -99.200 -91.000 PHE 30 1.000 -22.104 1.801 15.269 -99.200 -91.000 TYR 56 0.840 -23.776 -7.584 17.094 -99.200 -91.000 HIS 58 0.900 -28.762 -3.967 9.722 -99.200 -91.000 PHE 59 1.000 -22.029 -1.676 11.283 -99.200 -91.000 PHE 80 1.000 -25.977 8.421 10.085 -99.200 -91.000 PHE 90 1.000 -26.537 5.894 5.838 -99.200 -91.000 TRP 95 1.040 -24.277 9.391 3.188 -99.200 -91.000 TRP6 95 1.020 -23.149 8.917 5.191 -99.200 -91.000 PHE 111 1.000 -9.130 6.321 9.924 -99.200 -91.000 HIS 120 0.900 -19.313 -12.525 20.812 -99.200 -91.000 HIS 124 0.900 -21.491 -1.929 24.669 -99.200 -91.000 HIS 135 0.900 -11.108 11.714 1.056 -99.200 -91.000 TYR 145 0.840 -20.672 13.743 23.782 -99.200 -91.000 TYR 150 0.840 -21.779 17.073 19.600 -99.200 -91.000 HIS 151 0.900 -16.138 20.679 24.175 -99.200 -91.000