============================================================================= 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. HIS 1 0.900 4.463 3.427 42.675 -99.200 -91.000 HIS 2 0.900 -2.056 6.593 40.877 -99.200 -91.000 HIS 12 0.900 4.309 -2.285 23.802 -99.200 -91.000 PHE 36 1.000 4.687 7.066 24.471 -99.200 -91.000 HIS 37 0.900 9.037 10.266 19.004 -99.200 -91.000 TRP 38 1.040 4.734 3.360 16.605 -99.200 -91.000 TRP6 38 1.020 2.934 1.997 15.968 -99.200 -91.000 TYR 50 0.840 -1.530 9.634 -5.229 -99.200 -91.000 PHE 55 1.000 3.361 7.812 -2.316 -99.200 -91.000 PHE 56 1.000 9.986 4.994 2.369 -99.200 -91.000 HIS 60 0.900 5.796 13.031 19.113 -99.200 -91.000 PHE 61 1.000 1.202 6.164 18.203 -99.200 -91.000 TYR 65 0.840 -2.865 6.844 20.606 -99.200 -91.000 PHE 67 1.000 -8.135 9.593 27.234 -99.200 -91.000 PHE 74 1.000 1.888 10.859 2.745 -99.200 -91.000 TYR 79 0.840 -0.262 17.256 -8.837 -99.200 -91.000 HIS 80 0.900 -4.361 13.778 -1.505 -99.200 -91.000 TRP 98 1.040 -7.854 11.441 18.842 -99.200 -91.000 TRP6 98 1.020 -6.953 9.600 17.628 -99.200 -91.000 TYR 132 0.840 -9.920 15.252 -6.941 -99.200 -91.000 TYR 139 0.840 -5.330 14.541 -8.557 -99.200 -91.000 TRP 146 1.040 4.407 16.108 -9.107 -99.200 -91.000 TRP6 146 1.020 4.595 17.428 -7.170 -99.200 -91.000 TYR 150 0.840 9.340 14.765 -6.243 -99.200 -91.000