============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 33 0.840 21.289 -2.559 2.928 -99.200 -91.000 PHE 39 1.000 30.096 -6.176 1.863 -99.200 -91.000 HIS 62 0.900 42.538 -45.037 -4.951 -99.200 -91.000 TYR 78 0.840 41.758 -19.959 15.095 -99.200 -91.000 HIS 85 0.900 46.089 -34.259 13.571 -99.200 -91.000 TYR 102 0.840 37.094 -28.244 15.141 -99.200 -91.000 HIS 114 0.900 45.367 -31.665 -4.023 -99.200 -91.000 PHE 124 1.000 34.995 -25.715 -7.532 -99.200 -91.000 PHE 133 1.000 36.237 -17.447 -4.576 -99.200 -91.000 TRP 183 1.040 33.714 -32.017 5.760 -99.200 -91.000 TRP6 183 1.020 34.871 -31.936 3.699 -99.200 -91.000 TRP 202 1.040 14.136 -22.827 11.911 -99.200 -91.000 TRP6 202 1.020 14.081 -20.820 10.658 -99.200 -91.000 TYR 213 0.840 40.952 -1.801 7.534 -99.200 -91.000 TRP 223 1.040 18.497 -28.041 4.942 -99.200 -91.000 TRP6 223 1.020 20.789 -27.592 5.192 -99.200 -91.000 HIS 227 0.900 7.781 -22.314 6.259 -99.200 -91.000 TYR 235 0.840 30.479 -11.989 2.573 -99.200 -91.000 PHE 236 1.000 29.248 -4.446 10.396 -99.200 -91.000 HIS 259 0.900 8.989 -11.339 11.846 -99.200 -91.000 PHE 261 1.000 11.383 -16.275 4.695 -99.200 -91.000