============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 6 1.040 16.206 -21.530 15.152 -99.200 -91.000 TRP6 6 1.020 14.713 -21.780 13.342 -99.200 -91.000 TYR 7 0.840 23.828 -21.488 12.316 -99.200 -91.000 PHE 14 1.000 17.010 -17.406 18.582 -99.200 -91.000 TYR 28 0.840 21.472 -13.194 18.473 -99.200 -91.000 TYR 34 0.840 27.125 -10.555 24.476 -99.200 -91.000 TYR 40 0.840 7.125 -21.445 22.603 -99.200 -91.000 TRP 55 1.040 15.799 -13.550 20.701 -99.200 -91.000 TRP6 55 1.020 14.805 -14.170 18.657 -99.200 -91.000 TRP 59 1.040 23.285 -6.572 22.486 -99.200 -91.000 TRP6 59 1.020 23.968 -8.500 21.320 -99.200 -91.000 TYR 63 0.840 34.378 -13.745 27.965 -99.200 -91.000 HIS 67 0.900 27.500 0.215 29.642 -99.200 -91.000 TRP 72 1.040 16.680 -10.338 17.020 -99.200 -91.000 TRP6 72 1.020 18.208 -10.174 18.806 -99.200 -91.000 TYR 76 0.840 8.716 -22.775 13.579 -99.200 -91.000 TRP 88 1.040 17.311 -6.416 14.238 -99.200 -91.000 TRP6 88 1.020 18.507 -4.394 14.433 -99.200 -91.000 TRP 100 1.040 18.477 12.887 18.846 -99.200 -91.000 TRP6 100 1.020 18.937 12.239 16.623 -99.200 -91.000 HIS 107 0.900 15.255 -6.220 7.161 -99.200 -91.000 PHE 110 1.000 17.534 -14.974 13.858 -99.200 -91.000