============================================================================= 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 33 0.840 21.320 -2.624 3.722 -99.200 -91.000 PHE 39 1.000 30.061 -6.179 2.055 -99.200 -91.000 HIS 62 0.900 42.590 -45.019 -4.907 -99.200 -91.000 TYR 78 0.840 42.281 -20.191 15.165 -99.200 -91.000 HIS 85 0.900 46.347 -34.252 13.501 -99.200 -91.000 TYR 102 0.840 37.378 -27.993 15.107 -99.200 -91.000 HIS 114 0.900 45.300 -31.548 -4.147 -99.200 -91.000 PHE 124 1.000 34.754 -25.687 -7.480 -99.200 -91.000 PHE 133 1.000 36.052 -17.387 -4.576 -99.200 -91.000 TRP 183 1.040 33.809 -32.009 5.858 -99.200 -91.000 TRP6 183 1.020 34.929 -31.938 3.774 -99.200 -91.000 TRP 202 1.040 14.266 -23.008 12.096 -99.200 -91.000 TRP6 202 1.020 14.212 -21.013 10.846 -99.200 -91.000 TYR 213 0.840 40.928 -1.685 7.422 -99.200 -91.000 TRP 223 1.040 18.725 -28.106 5.126 -99.200 -91.000 TRP6 223 1.020 21.013 -27.595 5.356 -99.200 -91.000 HIS 227 0.900 7.924 -22.505 6.545 -99.200 -91.000 TYR 235 0.840 30.501 -12.007 2.745 -99.200 -91.000 PHE 236 1.000 29.412 -4.531 10.712 -99.200 -91.000 HIS 259 0.900 9.738 -10.139 13.222 -99.200 -91.000