============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TRP 8 1.040 28.945 65.194 30.936 -99.200 -91.000 TRP6 8 1.020 29.959 66.856 32.298 -99.200 -91.000 TYR 40 0.840 39.209 55.621 39.654 -99.200 -91.000 TYR 42 0.840 29.517 60.484 40.037 -99.200 -91.000 HIS 50 0.900 36.087 48.239 29.116 -99.200 -91.000 TRP 69 1.040 7.786 28.664 26.853 -99.200 -91.000 TRP6 69 1.020 9.995 27.885 27.183 -99.200 -91.000 TYR 80 0.840 23.672 39.556 26.544 -99.200 -91.000 PHE 85 1.000 28.957 36.200 18.231 -99.200 -91.000 HIS 87 0.900 30.318 47.394 20.373 -99.200 -91.000 TYR 104 0.840 22.777 42.273 32.637 -99.200 -91.000 TRP 127 1.040 20.367 29.446 41.322 -99.200 -91.000 TRP6 127 1.020 21.628 27.780 42.438 -99.200 -91.000 HIS 160 0.900 46.474 12.898 22.402 -99.200 -91.000 HIS 166 0.900 34.100 11.500 20.408 -99.200 -91.000 HIS 175 0.900 23.043 30.533 13.091 -99.200 -91.000 TRP 180 1.040 23.722 20.963 20.431 -99.200 -91.000 TRP6 180 1.020 25.457 20.631 22.008 -99.200 -91.000 PHE 182 1.000 17.193 29.086 23.370 -99.200 -91.000