============================================================================= 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. TYR 7 0.840 7.339 20.344 3.947 -99.200 -91.000 TYR 9 0.840 11.658 23.431 1.562 -99.200 -91.000 TYR 13 0.840 12.741 22.368 -9.134 -99.200 -91.000 HIS 14 0.900 20.776 25.451 -13.025 -99.200 -91.000 TRP 17 1.040 11.274 31.620 -21.266 -99.200 -91.000 TRP6 17 1.020 11.147 31.695 -18.917 -99.200 -91.000 TYR 21 0.840 9.514 31.883 -35.415 -99.200 -91.000 HIS 23 0.900 13.318 39.299 -33.556 -99.200 -91.000 TYR 58 0.840 20.188 31.199 -23.490 -99.200 -91.000 HIS 60 0.900 20.761 29.170 -16.493 -99.200 -91.000 HIS 69 0.900 6.683 26.982 -4.952 -99.200 -91.000 PHE 74 1.000 8.441 26.160 -10.663 -99.200 -91.000 PHE 87 1.000 4.122 40.181 -26.221 -99.200 -91.000 PHE 90 1.000 10.849 46.949 -22.566 -99.200 -91.000 HIS 92 0.900 10.685 46.827 -28.544 -99.200 -91.000 HIS 97 0.900 8.874 38.803 -40.539 -99.200 -91.000 TRP 98 1.040 11.078 38.813 -36.150 -99.200 -91.000 TRP6 98 1.020 12.846 37.248 -36.331 -99.200 -91.000 TRP 103 1.040 8.193 34.141 -23.027 -99.200 -91.000 TRP6 103 1.020 10.199 35.391 -22.951 -99.200 -91.000 TYR 107 0.840 8.734 23.413 -19.147 -99.200 -91.000 HIS 115 0.900 28.115 16.073 -17.875 -99.200 -91.000 TYR 123 0.840 15.476 24.096 -24.256 -99.200 -91.000 HIS 128 0.900 17.208 23.743 -35.963 -99.200 -91.000