============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TRP 6 1.040 19.890 20.932 12.165 -99.200 -91.000 TRP6 6 1.020 18.391 21.138 13.982 -99.200 -91.000 TYR 21 0.840 9.147 24.932 26.068 -99.200 -91.000 TRP 26 1.040 19.471 27.016 23.872 -99.200 -91.000 TRP6 26 1.020 18.250 27.531 21.914 -99.200 -91.000 HIS 32 0.900 9.011 19.693 23.466 -99.200 -91.000 TRP 45 1.040 17.601 31.220 18.101 -99.200 -91.000 TRP6 45 1.020 15.521 31.623 17.049 -99.200 -91.000 HIS 46 0.900 21.970 31.881 19.725 -99.200 -91.000 HIS 48 0.900 19.544 27.715 8.499 -99.200 -91.000