============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 13 0.900 79.113 11.873 34.452 -99.200 -91.000 TRP 16 1.040 75.409 20.026 41.434 -99.200 -91.000 TRP6 16 1.020 73.911 21.021 42.956 -99.200 -91.000 HIS 36 0.900 74.417 3.913 16.180 -99.200 -91.000 TRP 52 1.040 80.145 27.923 35.523 -99.200 -91.000 TRP6 52 1.020 79.003 29.662 34.400 -99.200 -91.000 TYR 67 0.840 88.146 12.646 23.251 -99.200 -91.000 HIS 83 0.900 72.835 29.607 40.381 -99.200 -91.000 PHE 84 1.000 65.828 25.838 34.982 -99.200 -91.000 TYR 86 0.840 69.394 35.344 34.947 -99.200 -91.000 HIS 93 0.900 76.854 32.003 23.875 -99.200 -91.000 TYR 121 0.840 57.879 10.237 30.879 -99.200 -91.000 HIS 129 0.900 63.446 7.203 23.885 -99.200 -91.000 HIS 131 0.900 64.382 12.196 26.063 -99.200 -91.000 TRP 135 1.040 70.629 13.215 24.167 -99.200 -91.000 TRP6 135 1.020 70.609 13.358 26.519 -99.200 -91.000