============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 7 0.840 9.943 12.062 83.186 -99.200 -91.000 TYR 13 0.840 14.254 15.026 85.088 -99.200 -91.000 HIS 18 0.900 5.742 3.982 65.166 -99.200 -91.000 HIS 34 0.900 6.873 21.731 88.233 -99.200 -91.000 PHE 40 1.000 17.675 19.101 74.181 -99.200 -91.000 PHE 45 1.000 14.346 5.097 61.291 -99.200 -91.000 PHE 50 1.000 17.183 18.779 60.415 -99.200 -91.000 PHE 52 1.000 20.997 28.899 56.517 -99.200 -91.000 TYR 53 0.840 15.136 33.983 61.153 -99.200 -91.000 PHE 55 1.000 19.343 36.376 60.871 -99.200 -91.000 PHE 60 1.000 13.824 29.384 61.936 -99.200 -91.000 TYR 65 0.840 16.913 16.165 55.041 -99.200 -91.000 TRP 77 1.040 11.510 27.665 81.461 -99.200 -91.000 TRP6 77 1.020 9.478 26.479 81.509 -99.200 -91.000 HIS 85 0.900 19.159 27.160 69.946 -99.200 -91.000 HIS 87 0.900 21.335 24.274 66.060 -99.200 -91.000 PHE 95 1.000 24.988 3.884 55.340 -99.200 -91.000 HIS 101 0.900 16.520 26.541 64.733 -99.200 -91.000 TYR 119 0.840 22.691 23.287 83.060 -99.200 -91.000 PHE 126 1.000 18.753 38.179 75.373 -99.200 -91.000