============================================================================= 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 2 0.900 -2.965 -20.973 9.215 -99.200 -91.000 PHE 10 1.000 11.643 -12.750 22.072 -99.200 -91.000 TYR 12 0.840 13.166 -7.361 23.318 -99.200 -91.000 TYR 14 0.840 15.839 -2.253 26.018 -99.200 -91.000 TYR 20 0.840 19.550 10.035 26.862 -99.200 -91.000 TYR 21 0.840 26.137 7.777 32.432 -99.200 -91.000 TRP 23 1.040 20.287 9.073 36.529 -99.200 -91.000 TRP6 23 1.020 22.159 9.923 37.702 -99.200 -91.000 TRP 31 1.040 16.094 7.287 40.137 -99.200 -91.000 TRP6 31 1.020 16.528 9.127 38.722 -99.200 -91.000 PHE 32 1.000 12.151 -0.050 34.139 -99.200 -91.000 TYR 43 0.840 -2.664 1.860 38.653 -99.200 -91.000 PHE 49 1.000 4.245 -5.589 31.303 -99.200 -91.000 HIS 51 0.900 -3.300 1.169 28.201 -99.200 -91.000 PHE 64 1.000 11.900 7.825 41.156 -99.200 -91.000 PHE 67 1.000 21.855 17.071 46.378 -99.200 -91.000 PHE 69 1.000 27.639 15.935 47.923 -99.200 -91.000 PHE 73 1.000 28.136 11.650 36.248 -99.200 -91.000 HIS 74 0.900 22.313 18.923 41.454 -99.200 -91.000 TYR 91 0.840 -5.853 -7.128 29.768 -99.200 -91.000 PHE 92 1.000 1.795 -9.030 34.130 -99.200 -91.000 TYR 93 0.840 -6.980 -8.732 34.793 -99.200 -91.000 HIS 94 0.900 -4.840 -15.722 35.944 -99.200 -91.000 HIS 95 0.900 -12.033 -11.141 34.183 -99.200 -91.000